From 2b21b18402945dad764b9370ea0ff1091c805bd0 Mon Sep 17 00:00:00 2001
From: Bernd Flemisch <bernd@iws.uni-stuttgart.de>
Date: Wed, 20 Jan 2016 14:12:50 +0100
Subject: [PATCH] [folder structure] rename and move files from
implicit/1p2c,2p2c,2pnc,2pncmin,3p3c, adapt includes
---
.../el1p2c/el1p2cfluxvariables.hh | 2 +-
dumux/geomechanics/el1p2c/el1p2cindices.hh | 2 +-
dumux/geomechanics/el1p2c/el1p2cproperties.hh | 2 +-
.../el1p2c/el1p2cvolumevariables.hh | 2 +-
dumux/implicit/1p2c/1p2cfluxvariables.hh | 525 +--------
dumux/implicit/1p2c/1p2cindices.hh | 63 +-
dumux/implicit/1p2c/1p2clocalresidual.hh | 265 +----
dumux/implicit/1p2c/1p2cmodel.hh | 194 +---
dumux/implicit/1p2c/1p2cproperties.hh | 82 +-
dumux/implicit/1p2c/1p2cpropertydefaults.hh | 159 +--
dumux/implicit/1p2c/1p2cvolumevariables.hh | 287 +----
dumux/implicit/2p2c/2p2cfluxvariables.hh | 255 +----
dumux/implicit/2p2c/2p2cindices.hh | 145 +--
dumux/implicit/2p2c/2p2clocalresidual.hh | 507 +-------
dumux/implicit/2p2c/2p2cmodel.hh | 725 +-----------
dumux/implicit/2p2c/2p2cnewtoncontroller.hh | 104 +-
dumux/implicit/2p2c/2p2cproperties.hh | 85 +-
dumux/implicit/2p2c/2p2cpropertydefaults.hh | 232 +---
dumux/implicit/2p2c/2p2cvolumevariables.hh | 621 +---------
dumux/implicit/2pnc/2pncfluxvariables.hh | 415 +------
dumux/implicit/2pnc/2pncindices.hh | 80 +-
dumux/implicit/2pnc/2pnclocalresidual.hh | 349 +-----
dumux/implicit/2pnc/2pncmodel.hh | 741 +-----------
dumux/implicit/2pnc/2pncnewtoncontroller.hh | 105 +-
dumux/implicit/2pnc/2pncproperties.hh | 82 +-
dumux/implicit/2pnc/2pncpropertydefaults.hh | 226 +---
dumux/implicit/2pnc/2pncvolumevariables.hh | 529 +--------
.../implicit/2pncmin/2pncminfluxvariables.hh | 162 +--
dumux/implicit/2pncmin/2pncminindices.hh | 48 +-
.../implicit/2pncmin/2pncminlocalresidual.hh | 140 +--
dumux/implicit/2pncmin/2pncminmodel.hh | 551 +--------
dumux/implicit/2pncmin/2pncminproperties.hh | 65 +-
.../2pncmin/2pncminpropertydefaults.hh | 143 +--
.../2pncmin/2pncminvolumevariables.hh | 549 +--------
dumux/implicit/3p3c/3p3cfluxvariables.hh | 386 +------
dumux/implicit/3p3c/3p3cindices.hh | 90 +-
dumux/implicit/3p3c/3p3clocalresidual.hh | 238 +---
dumux/implicit/3p3c/3p3cmodel.hh | 1020 +----------------
dumux/implicit/3p3c/3p3cnewtoncontroller.hh | 86 +-
dumux/implicit/3p3c/3p3cproperties.hh | 82 +-
dumux/implicit/3p3c/3p3cpropertydefaults.hh | 211 +---
dumux/implicit/3p3c/3p3cvolumevariables.hh | 750 +-----------
dumux/implicit/co2/co2model.hh | 2 +-
dumux/implicit/co2/co2volumevariables.hh | 2 +-
.../2p2cnicouplinglocalresidual.hh | 2 +-
.../2cstokes2p2c/2cstokes2p2clocaloperator.hh | 2 +-
.../2cstokes2p2c/2p2ccouplinglocalresidual.hh | 4 +-
.../1p2c/implicit/fluxvariables.hh | 525 +++++++++
.../porousmediumflow/1p2c/implicit/indices.hh | 63 +
.../1p2c/implicit/localresidual.hh | 265 +++++
dumux/porousmediumflow/1p2c/implicit/model.hh | 194 ++++
.../1p2c/implicit/properties.hh | 81 ++
.../1p2c/implicit/propertydefaults.hh | 158 +++
.../1p2c/implicit/volumevariables.hh | 287 +++++
.../2p2c/implicit/fluxvariables.hh | 255 +++++
.../porousmediumflow/2p2c/implicit/indices.hh | 145 +++
.../2p2c/implicit/localresidual.hh | 507 ++++++++
dumux/porousmediumflow/2p2c/implicit/model.hh | 725 ++++++++++++
.../2p2c/implicit/newtoncontroller.hh | 104 ++
.../2p2c/implicit/properties.hh | 85 ++
.../2p2c/implicit/propertydefaults.hh | 232 ++++
.../2p2c/implicit/volumevariables.hh | 621 ++++++++++
.../2pnc/implicit/fluxvariables.hh | 415 +++++++
.../porousmediumflow/2pnc/implicit/indices.hh | 80 ++
.../2pnc/implicit/localresidual.hh | 349 ++++++
dumux/porousmediumflow/2pnc/implicit/model.hh | 741 ++++++++++++
.../2pnc/implicit/newtoncontroller.hh | 105 ++
.../2pnc/implicit/properties.hh | 82 ++
.../2pnc/implicit/propertydefaults.hh | 225 ++++
.../2pnc/implicit/volumevariables.hh | 529 +++++++++
.../2pncmin/implicit/fluxvariables.hh | 162 +++
.../2pncmin/implicit/indices.hh | 48 +
.../2pncmin/implicit/localresidual.hh | 140 +++
.../2pncmin/implicit/model.hh | 551 +++++++++
.../2pncmin/implicit/properties.hh | 65 ++
.../2pncmin/implicit/propertydefaults.hh | 143 +++
.../2pncmin/implicit/volumevariables.hh | 549 +++++++++
.../3p3c/implicit/fluxvariables.hh | 386 +++++++
.../porousmediumflow/3p3c/implicit/indices.hh | 90 ++
.../3p3c/implicit/localresidual.hh | 238 ++++
dumux/porousmediumflow/3p3c/implicit/model.hh | 1020 +++++++++++++++++
.../3p3c/implicit/newtoncontroller.hh | 86 ++
.../3p3c/implicit/properties.hh | 82 ++
.../3p3c/implicit/propertydefaults.hh | 210 ++++
.../3p3c/implicit/volumevariables.hh | 750 ++++++++++++
.../2p/thermalconductivityjohansenproblem.hh | 2 +-
.../2p/thermalconductivitysomertonproblem.hh | 2 +-
.../2p/thermalconductivityspatialparams.hh | 2 +-
.../effectivediffusivityconstanttauproblem.hh | 2 +-
...ectivediffusivitymillingtonquirkproblem.hh | 2 +-
.../effectivediffusivityspatialparams.hh | 2 +-
.../2cnistokes2p2cni/2p2cnisubproblem.hh | 2 +-
.../2cnizeroeq2p2cni/2p2cnisubproblem.hh | 2 +-
.../2cstokes2p2c/2p2csubproblem.hh | 2 +-
.../2czeroeq2p2c/2p2csubproblem.hh | 2 +-
.../1p2c/implicit/1p2cniconductionproblem.hh | 2 +-
.../1p2c/implicit/1p2cniconvectionproblem.hh | 2 +-
.../1p2c/implicit/1p2coutflowproblem.hh | 2 +-
.../2p2c/implicit/injectionproblem.hh | 2 +-
.../2p2c/implicit/injectionspatialparams.hh | 2 +-
.../2p2c/implicit/waterairproblem.hh | 2 +-
.../2p2c/implicit/waterairspatialparams.hh | 2 +-
.../2pnc/implicit/fuelcellproblem.hh | 2 +-
.../2pnc/implicit/fuelcellspatialparams.hh | 2 +-
.../2pncmin/implicit/dissolutionproblem.hh | 2 +-
.../implicit/dissolutionspatialparams.hh | 2 +-
.../3p/implicit/3pnispatialparams.hh | 2 +-
.../implicit/infiltration3pspatialparams.hh | 2 +-
.../3p3c/implicit/columnxylolproblem.hh | 2 +-
.../3p3c/implicit/columnxylolspatialparams.hh | 2 +-
.../3p3c/implicit/infiltrationproblem.hh | 2 +-
.../implicit/infiltrationspatialparameters.hh | 2 +-
.../3p3c/implicit/kuevetteproblem.hh | 2 +-
.../3p3c/implicit/kuevettespatialparams.hh | 2 +-
114 files changed, 11484 insertions(+), 11184 deletions(-)
create mode 100644 dumux/porousmediumflow/1p2c/implicit/fluxvariables.hh
create mode 100644 dumux/porousmediumflow/1p2c/implicit/indices.hh
create mode 100644 dumux/porousmediumflow/1p2c/implicit/localresidual.hh
create mode 100644 dumux/porousmediumflow/1p2c/implicit/model.hh
create mode 100644 dumux/porousmediumflow/1p2c/implicit/properties.hh
create mode 100644 dumux/porousmediumflow/1p2c/implicit/propertydefaults.hh
create mode 100644 dumux/porousmediumflow/1p2c/implicit/volumevariables.hh
create mode 100644 dumux/porousmediumflow/2p2c/implicit/fluxvariables.hh
create mode 100644 dumux/porousmediumflow/2p2c/implicit/indices.hh
create mode 100644 dumux/porousmediumflow/2p2c/implicit/localresidual.hh
create mode 100644 dumux/porousmediumflow/2p2c/implicit/model.hh
create mode 100644 dumux/porousmediumflow/2p2c/implicit/newtoncontroller.hh
create mode 100644 dumux/porousmediumflow/2p2c/implicit/properties.hh
create mode 100644 dumux/porousmediumflow/2p2c/implicit/propertydefaults.hh
create mode 100644 dumux/porousmediumflow/2p2c/implicit/volumevariables.hh
create mode 100644 dumux/porousmediumflow/2pnc/implicit/fluxvariables.hh
create mode 100644 dumux/porousmediumflow/2pnc/implicit/indices.hh
create mode 100644 dumux/porousmediumflow/2pnc/implicit/localresidual.hh
create mode 100644 dumux/porousmediumflow/2pnc/implicit/model.hh
create mode 100644 dumux/porousmediumflow/2pnc/implicit/newtoncontroller.hh
create mode 100644 dumux/porousmediumflow/2pnc/implicit/properties.hh
create mode 100644 dumux/porousmediumflow/2pnc/implicit/propertydefaults.hh
create mode 100644 dumux/porousmediumflow/2pnc/implicit/volumevariables.hh
create mode 100644 dumux/porousmediumflow/2pncmin/implicit/fluxvariables.hh
create mode 100644 dumux/porousmediumflow/2pncmin/implicit/indices.hh
create mode 100644 dumux/porousmediumflow/2pncmin/implicit/localresidual.hh
create mode 100644 dumux/porousmediumflow/2pncmin/implicit/model.hh
create mode 100644 dumux/porousmediumflow/2pncmin/implicit/properties.hh
create mode 100644 dumux/porousmediumflow/2pncmin/implicit/propertydefaults.hh
create mode 100644 dumux/porousmediumflow/2pncmin/implicit/volumevariables.hh
create mode 100644 dumux/porousmediumflow/3p3c/implicit/fluxvariables.hh
create mode 100644 dumux/porousmediumflow/3p3c/implicit/indices.hh
create mode 100644 dumux/porousmediumflow/3p3c/implicit/localresidual.hh
create mode 100644 dumux/porousmediumflow/3p3c/implicit/model.hh
create mode 100644 dumux/porousmediumflow/3p3c/implicit/newtoncontroller.hh
create mode 100644 dumux/porousmediumflow/3p3c/implicit/properties.hh
create mode 100644 dumux/porousmediumflow/3p3c/implicit/propertydefaults.hh
create mode 100644 dumux/porousmediumflow/3p3c/implicit/volumevariables.hh
diff --git a/dumux/geomechanics/el1p2c/el1p2cfluxvariables.hh b/dumux/geomechanics/el1p2c/el1p2cfluxvariables.hh
index f63352f585..29c4ac9a35 100644
--- a/dumux/geomechanics/el1p2c/el1p2cfluxvariables.hh
+++ b/dumux/geomechanics/el1p2c/el1p2cfluxvariables.hh
@@ -33,7 +33,7 @@
#define DUMUX_ELASTIC1P2C_FLUX_VARIABLES_HH
#include <dumux/geomechanics/elastic/elasticfluxvariables.hh>
-#include <dumux/implicit/1p2c/1p2cfluxvariables.hh>
+#include <dumux/porousmediumflow/1p2c/implicit/fluxvariables.hh>
namespace Dumux
{
diff --git a/dumux/geomechanics/el1p2c/el1p2cindices.hh b/dumux/geomechanics/el1p2c/el1p2cindices.hh
index 4d82313029..25346a73ee 100644
--- a/dumux/geomechanics/el1p2c/el1p2cindices.hh
+++ b/dumux/geomechanics/el1p2c/el1p2cindices.hh
@@ -27,7 +27,7 @@
#define DUMUX_ELASTIC1P2C_INDICES_HH
#include <dumux/geomechanics/elastic/elasticindices.hh>
-#include <dumux/implicit/1p2c/1p2cindices.hh>
+#include <dumux/porousmediumflow/1p2c/implicit/indices.hh>
namespace Dumux
{
diff --git a/dumux/geomechanics/el1p2c/el1p2cproperties.hh b/dumux/geomechanics/el1p2c/el1p2cproperties.hh
index cb913fd953..735524c243 100644
--- a/dumux/geomechanics/el1p2c/el1p2cproperties.hh
+++ b/dumux/geomechanics/el1p2c/el1p2cproperties.hh
@@ -32,7 +32,7 @@
#ifndef DUMUX_ELASTIC1P2C_PROPERTIES_HH
#define DUMUX_ELASTIC1P2C_PROPERTIES_HH
-#include <dumux/implicit/1p2c/1p2cproperties.hh>
+#include <dumux/porousmediumflow/1p2c/implicit/properties.hh>
#include <dumux/geomechanics/elastic/elasticproperties.hh>
diff --git a/dumux/geomechanics/el1p2c/el1p2cvolumevariables.hh b/dumux/geomechanics/el1p2c/el1p2cvolumevariables.hh
index 8556e55a2b..b8d6017559 100644
--- a/dumux/geomechanics/el1p2c/el1p2cvolumevariables.hh
+++ b/dumux/geomechanics/el1p2c/el1p2cvolumevariables.hh
@@ -26,7 +26,7 @@
#define DUMUX_ELASTIC1P2C_VOLUME_VARIABLES_HH
-#include <dumux/implicit/1p2c/1p2cvolumevariables.hh>
+#include <dumux/porousmediumflow/1p2c/implicit/volumevariables.hh>
#include <dumux/implicit/volumevariables.hh>
#include "el1p2cproperties.hh"
diff --git a/dumux/implicit/1p2c/1p2cfluxvariables.hh b/dumux/implicit/1p2c/1p2cfluxvariables.hh
index 641d9db8ff..496b22b6c1 100644
--- a/dumux/implicit/1p2c/1p2cfluxvariables.hh
+++ b/dumux/implicit/1p2c/1p2cfluxvariables.hh
@@ -1,525 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \file
- * \brief This file contains the data which is required to calculate
- * all fluxes of fluid phases over a face of a finite volume.
- *
- * This means pressure and mole-fraction gradients, phase densities at
- * the integration point, etc.
- *
- */
-#ifndef DUMUX_1P2C_FLUX_VARIABLES_HH
-#define DUMUX_1P2C_FLUX_VARIABLES_HH
+#ifndef DUMUX_1P2C_FLUX_VARIABLES_HH_OLD
+#define DUMUX_1P2C_FLUX_VARIABLES_HH_OLD
-#include "1p2cproperties.hh"
+#warning this header is deprecated, use dumux/porousmediumflow/1p2c/implicit/fluxvariables.hh instead
-#include <dumux/common/math.hh>
-#include <dumux/common/valgrind.hh>
-
-namespace Dumux
-{
-
-/*!
- * \ingroup OnePTwoCModel
- * \ingroup ImplicitFluxVariables
- * \brief This template class contains the data which is required to
- * calculate the fluxes of the fluid phases over a face of a
- * finite volume for the one-phase, two-component model.
- *
- * This means pressure and mole-fraction gradients, phase densities at
- * the intergration point, etc.
- */
-template <class TypeTag>
-class OnePTwoCFluxVariables
-{
- typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
- typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
- typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
- typedef typename GET_PROP_TYPE(TypeTag, SpatialParams) SpatialParams;
- typedef typename GET_PROP_TYPE(TypeTag, EffectiveDiffusivityModel) EffectiveDiffusivityModel;
-
- typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
- enum {
- transportCompIdx = Indices::transportCompIdx
- };
-
- typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
- typedef typename GridView::template Codim<0>::Entity Element;
- enum {
- dim = GridView::dimension,
- dimWorld = GridView::dimensionworld
- };
-
- typedef typename GridView::ctype CoordScalar;
- typedef Dune::FieldVector<CoordScalar, dimWorld> GlobalPosition;
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef Dune::FieldVector<Scalar, dim> DimVector;
- typedef Dune::FieldMatrix<Scalar, dim, dim> DimMatrix;
- typedef Dune::FieldMatrix<Scalar, dimWorld, dimWorld> DimWorldMatrix;
-
- typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
- typedef typename FVElementGeometry::SubControlVolumeFace SCVFace;
-
-public:
- /*
- * \brief The constructor
- *
- * \param problem The problem
- * \param element The finite element
- * \param fvGeometry The finite-volume geometry in the fully implicit scheme
- * \param scvfIdx The local index of the SCV (sub-control-volume) face
- * \param elemVolVars The volume variables of the current element
- * \param onBoundary A boolean variable to specify whether the flux variables
- * are calculated for interior SCV faces or boundary faces, default=false
- */
- OnePTwoCFluxVariables(const Problem &problem,
- const Element &element,
- const FVElementGeometry &fvGeometry,
- const int fIdx,
- const ElementVolumeVariables &elemVolVars,
- const bool onBoundary = false)
- : fvGeometry_(fvGeometry), faceIdx_(fIdx), onBoundary_(onBoundary)
- {
- mobilityUpwindWeight_ = GET_PARAM_FROM_GROUP(TypeTag, Scalar, Implicit, MobilityUpwindWeight);
-
- viscosity_ = Scalar(0);
- molarDensity_ = Scalar(0);
- density_ = Scalar(0);
- potentialGrad_ = Scalar(0);
- moleFractionGrad_ = Scalar(0);
-
- calculateGradients_(problem, element, elemVolVars);
- calculateK_(problem, element, elemVolVars);
- calculateVelocities_(problem, element, elemVolVars);
- calculatePorousDiffCoeff_(problem, element, elemVolVars);
- calculateDispersionTensor_(problem, element, elemVolVars);
- };
-
-public:
- /*!
- * \brief Return the pressure potential multiplied with the
- * intrinsic permeability and the face normal which
- * goes from vertex i to vertex j.
- *
- * Note that the length of the face's normal is the area of the
- * phase, so this is not the actual velocity but the integral of
- * the velocity over the face's area. Also note that the phase
- * mobility is not yet included here since this would require a
- * decision on the upwinding approach (which is done in the
- * actual model).
- */
- Scalar KmvpNormal() const
- { return KmvpNormal_; }
-
- /*!
- * \brief Return the pressure potential multiplied with the
- * intrinsic permeability as vector (for velocity output).
- */
- GlobalPosition Kmvp() const
- { return Kmvp_; }
-
- /*!
- * \brief The face of the current sub-control volume. This may be either
- * an inner sub-control-volume face or a SCV face on the boundary.
- */
- const SCVFace &face() const
- {
- if (onBoundary_)
- return fvGeometry_.boundaryFace[faceIdx_];
- else
- return fvGeometry_.subContVolFace[faceIdx_];
- }
-
- /*!
- * \brief Return the intrinsic permeability tensor \f$\mathrm{[m^2]}\f$.
- */
- const DimWorldMatrix &intrinsicPermeability() const
- { return K_; }
-
- /*!
- * \brief Return the dispersion tensor \f$\mathrm{[m^2/s]}\f$.
- */
- const DimWorldMatrix &dispersionTensor() const
- { return dispersionTensor_; }
-
- /*!
- * \brief Return the pressure potential gradient \f$\mathrm{[Pa/m]}\f$.
- */
- const GlobalPosition &potentialGrad() const
- { return potentialGrad_; }
-
-
- /*!
- * \brief Return the mole-fraction gradient of a component in a phase \f$\mathrm{[mol/mol/m)]}\f$.
- *
- * \param compIdx The index of the considered component
- */
- const GlobalPosition &moleFractionGrad(int compIdx) const
- {
- if (compIdx != 1)
- { DUNE_THROW(Dune::InvalidStateException,
- "The 1p2c model is supposed to need "
- "only the concentration gradient of "
- "the second component!"); }
- return moleFractionGrad_;
- };
-
- /*!
- * \brief The binary diffusion coefficient for each fluid phase in the porous medium \f$\mathrm{[m^2/s]}\f$.
- */
- Scalar porousDiffCoeff() const
- {
- // TODO: tensorial porousDiffCoeff_usion coefficients
- return porousDiffCoeff_;
- };
-
- /*!
- * \brief Return viscosity \f$\mathrm{[Pa s]}\f$ of a phase at the integration
- * point.
- */
- Scalar viscosity() const
- { return viscosity_;}
-
- /*!
- * \brief Return molar density \f$\mathrm{[mol/m^3]}\f$ of a phase at the integration
- * point.
- */
- Scalar molarDensity() const
- { return molarDensity_; }
-
- /*!
- * \brief Return density \f$\mathrm{[kg/m^3]}\f$ of a phase at the integration
- * point.
- */
- Scalar density() const
- { return density_; }
-
- /*!
- * \brief Given the intrinsic permeability times the pressure
- * potential gradient and SCV face normal for a phase,
- * return the local index of the upstream control volume
- * for a given phase.
- *
- * \param normalFlux The flux over a face of the sub-control volume
- */
- int upstreamIdx(Scalar normalFlux) const
- { return (normalFlux >= 0)?face().i:face().j; }
-
- /*!
- * \brief Given the intrinsic permeability times the pressure
- * potential gradient and SCV face normal for a phase,
- * return the local index of the downstream control volume
- * for a given phase.
- *
- * \param normalFlux The flux over a face of the sub-control volume
- */
- int downstreamIdx(Scalar normalFlux) const
- { return (normalFlux > 0)?face().j:face().i; }
-
- /*!
- * \brief Return the local index of the upstream control volume
- * for a given phase.
- */
- int upstreamIdx() const
- { return upstreamIdx_; }
-
- /*!
- * \brief Return the local index of the downstream control volume
- * for a given phase.
- */
- int downstreamIdx() const
- { return downstreamIdx_; }
-
- /*!
- * \brief Return the local index of the upstream control volume
- * for a given phase.
- */
- int upstreamIdx(int phaseIdx) const
- { return upstreamIdx_; }
-
- /*!
- * \brief Return the local index of the downstream control volume
- * for a given phase.
- */
- int downstreamIdx(int phaseIdx) const
- { return downstreamIdx_; }
-
- /*!
- * \brief Return the volumetric flux over a face of a given phase.
- *
- * This is the calculated velocity multiplied by the unit normal
- * and the area of the face.
- * face().normal
- * has already the magnitude of the area.
- *
- * \param phaseIdx index of the phase
- */
- Scalar volumeFlux(const unsigned int phaseIdx) const
- {
- assert (phaseIdx == Indices::phaseIdx);
- return volumeFlux_;
- }
-
-protected:
-
- /*!
- * \brief Calculation of the pressure and mole-/mass-fraction gradients.
- *
- * \param problem The considered problem file
- * \param element The considered element of the grid
- * \param elemVolVars The parameters stored in the considered element
- */
- void calculateGradients_(const Problem &problem,
- const Element &element,
- const ElementVolumeVariables &elemVolVars)
- {
- // loop over flux approximation points
- for (unsigned int idx = 0; idx < face().numFap; idx++)
- {
- // FE gradient at vertex idx
- const GlobalPosition &feGrad = face().grad[idx];
-
- // index for the element volume variables
- int volVarsIdx = face().fapIndices[idx];
-
- // the pressure gradient
- GlobalPosition tmp = feGrad;
- tmp *= elemVolVars[volVarsIdx].pressure();
- potentialGrad_ += tmp;
-
- // the mole-fraction gradient
- tmp = feGrad;
- tmp *= elemVolVars[volVarsIdx].moleFraction(transportCompIdx);
- moleFractionGrad_ += tmp;
-
- // phase viscosity
- viscosity_ += elemVolVars[volVarsIdx].viscosity()*face().shapeValue[idx];
-
- //phase molar density
- molarDensity_ += elemVolVars[volVarsIdx].molarDensity()*face().shapeValue[idx];
-
- //phase density
- density_ += elemVolVars[volVarsIdx].density()*face().shapeValue[idx];
- }
-
-
- ///////////////
- // correct the pressure gradients by the gravitational acceleration
- ///////////////
- if (GET_PARAM_FROM_GROUP(TypeTag, bool, Problem, EnableGravity)) {
- // calculate the phase density at the integration point. we
- // only do this if the wetting phase is present in both cells
- Scalar rhoI = elemVolVars[face().i].density();
- Scalar rhoJ = elemVolVars[face().j].density();
- Scalar density = (rhoI + rhoJ)/2;
-
- // ask for the gravitational acceleration at the given SCV face
- GlobalPosition g(problem.gravityAtPos(face().ipGlobal));
-
- // make it a force
- g *= density;
-
- // calculate the final potential gradient
- potentialGrad_ -= g;
- }
- }
-
- /*!
- * \brief Calculation of the harmonic mean of the intrinsic permeability
- * uses the meanK function in the boxspatialparameters.hh file in the folder
- * material/spatialparameters
- *
- * \param problem The considered problem file
- * \param element The considered element of the grid
- * \param elemVolVars The parameters stored in the considered element
- */
- void calculateK_(const Problem &problem,
- const Element &element,
- const ElementVolumeVariables &elemVolVars)
- {
- const SpatialParams &sp = problem.spatialParams();
- if (GET_PROP_VALUE(TypeTag, ImplicitIsBox))
- {
- sp.meanK(K_,
- sp.intrinsicPermeability(element,
- fvGeometry_,
- face().i),
- sp.intrinsicPermeability(element,
- fvGeometry_,
- face().j));
- }
- else
- {
- const Element& elementI = fvGeometry_.neighbors[face().i];
- FVElementGeometry fvGeometryI;
- fvGeometryI.subContVol[0].global = elementI.geometry().center();
-
- const Element& elementJ = fvGeometry_.neighbors[face().j];
- FVElementGeometry fvGeometryJ;
- fvGeometryJ.subContVol[0].global = elementJ.geometry().center();
-
- sp.meanK(K_,
- sp.intrinsicPermeability(elementI, fvGeometryI, 0),
- sp.intrinsicPermeability(elementJ, fvGeometryJ, 0));
- }
- }
-
- /*!
- * \brief Calculation of the velocity normal to face using Darcy's law.
- * Tensorial permeability is multiplied with the potential gradient and the face normal.
- * Identify upstream node of face.
- *
- * \param problem The considered problem file
- * \param element The considered element of the grid
- * \param elemVolVars The parameters stored in the considered element
- */
- void calculateVelocities_(const Problem &problem,
- const Element &element,
- const ElementVolumeVariables &elemVolVars)
- {
- K_.mv(potentialGrad_, Kmvp_);
- KmvpNormal_ = -(Kmvp_*face().normal);
-
- // set the upstream and downstream vertices
- upstreamIdx_ = face().i;
- downstreamIdx_ = face().j;
-
- if (KmvpNormal_ < 0)
- {
- std::swap(upstreamIdx_,
- downstreamIdx_);
- }
-
- volumeFlux_ = KmvpNormal_;
- volumeFlux_ *= mobilityUpwindWeight_/elemVolVars[upstreamIdx_].viscosity()
- + (1.0 - mobilityUpwindWeight_)/elemVolVars[downstreamIdx_].viscosity();
- }
- /*!
- * \brief Calculation of the effective diffusion coefficient.
- *
- * \param problem The considered problem file
- * \param element The considered element of the grid
- * \param elemVolVars The parameters stored in the considered element
- */
- void calculatePorousDiffCoeff_(const Problem &problem,
- const Element &element,
- const ElementVolumeVariables &elemVolVars)
- {
- const VolumeVariables &volVarsI = elemVolVars[face().i];
- const VolumeVariables &volVarsJ = elemVolVars[face().j];
-
- const Scalar diffCoeffI = EffectiveDiffusivityModel::effectiveDiffusivity(volVarsI.porosity(),
- /*sat=*/1.0,
- volVarsI.diffCoeff());
-
- const Scalar diffCoeffJ = EffectiveDiffusivityModel::effectiveDiffusivity(volVarsJ.porosity(),
- /*sat=*/1.0,
- volVarsJ.diffCoeff());
-
- // -> harmonic mean
- porousDiffCoeff_ = harmonicMean(diffCoeffI, diffCoeffJ);
- }
-
- /*!
- * \brief Calculation of the dispersion.
- *
- * \param problem The considered problem file
- * \param element The considered element of the grid
- * \param elemVolVars The parameters stored in the considered element
- */
- void calculateDispersionTensor_(const Problem &problem,
- const Element &element,
- const ElementVolumeVariables &elemVolVars)
- {
- const VolumeVariables &volVarsI = elemVolVars[face().i];
- const VolumeVariables &volVarsJ = elemVolVars[face().j];
-
- //calculate dispersivity at the interface: [0]: alphaL = longitudinal disp. [m], [1] alphaT = transverse disp. [m]
- Scalar dispersivity[2];
- dispersivity[0] = 0.5 * (volVarsI.dispersivity()[0] + volVarsJ.dispersivity()[0]);
- dispersivity[1] = 0.5 * (volVarsI.dispersivity()[1] + volVarsJ.dispersivity()[1]);
-
- //calculate velocity at interface: v = -1/mu * vDarcy = -1/mu * K * grad(p)
- GlobalPosition velocity;
- Valgrind::CheckDefined(potentialGrad());
- Valgrind::CheckDefined(K_);
- K_.mv(potentialGrad(), velocity);
- velocity /= - 0.5 * (volVarsI.viscosity() + volVarsJ.viscosity());
-
- //matrix multiplication of the velocity at the interface: vv^T
- dispersionTensor_ = 0;
- for (int i=0; i<dim; i++)
- for (int j = 0; j<dim; j++)
- dispersionTensor_[i][j] = velocity[i]*velocity[j];
-
- //normalize velocity product --> vv^T/||v||, [m/s]
- Scalar vNorm = velocity.two_norm();
-
- dispersionTensor_ /= vNorm;
- if (vNorm < 1e-20)
- dispersionTensor_ = 0;
-
- //multiply with dispersivity difference: vv^T/||v||*(alphaL - alphaT), [m^2/s] --> alphaL = longitudinal disp., alphaT = transverse disp.
- dispersionTensor_ *= (dispersivity[0] - dispersivity[1]);
-
- //add ||v||*alphaT to the main diagonal:vv^T/||v||*(alphaL - alphaT) + ||v||*alphaT, [m^2/s]
- for (int i = 0; i<dim; i++)
- dispersionTensor_[i][i] += vNorm*dispersivity[1];
- }
-
- const FVElementGeometry &fvGeometry_;
- const int faceIdx_;
- const bool onBoundary_;
-
- //! pressure potential gradient
- GlobalPosition potentialGrad_;
- //! mole-fraction gradient
- GlobalPosition moleFractionGrad_;
- //! the effective diffusion coefficent in the porous medium
- Scalar porousDiffCoeff_;
-
- //! the dispersion tensor in the porous medium
- DimWorldMatrix dispersionTensor_;
-
- //! the intrinsic permeability tensor
- DimWorldMatrix K_;
- // intrinsic permeability times pressure potential gradient
- GlobalPosition Kmvp_;
- // projected on the face normal
- Scalar KmvpNormal_;
-
- // local index of the upwind vertex for each phase
- int upstreamIdx_;
- // local index of the downwind vertex for each phase
- int downstreamIdx_;
-
- //! viscosity of the fluid at the integration point
- Scalar viscosity_;
-
- //! molar densities of the fluid at the integration point
- Scalar molarDensity_, density_;
-
- Scalar volumeFlux_; //!< Velocity multiplied with normal (magnitude=area)
- Scalar mobilityUpwindWeight_; //!< Upwind weight for mobility. Set to one for full upstream weighting
-};
-
-} // end namespace
+#include <dumux/porousmediumflow/1p2c/implicit/fluxvariables.hh>
#endif
diff --git a/dumux/implicit/1p2c/1p2cindices.hh b/dumux/implicit/1p2c/1p2cindices.hh
index 8286d90dab..6c9fbe18d8 100644
--- a/dumux/implicit/1p2c/1p2cindices.hh
+++ b/dumux/implicit/1p2c/1p2cindices.hh
@@ -1,63 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \file
- * \brief Defines the primary variable and equation indices used by
- * the 1p2c model
- */
+#ifndef DUMUX_1P2C_INDICES_HH_OLD
+#define DUMUX_1P2C_INDICES_HH_OLD
-#ifndef DUMUX_1P2C_INDICES_HH
-#define DUMUX_1P2C_INDICES_HH
+#warning this header is deprecated, use dumux/porousmediumflow/1p2c/implicit/indices.hh instead
-#include "1p2cproperties.hh"
-
-namespace Dumux
-{
-// \{
-
-/*!
- * \ingroup OnePTwoCModel
- * \ingroup ImplicitIndices
- * \brief The indices for the isothermal single-phase, two-component model.
- */
-template <class TypeTag, int PVOffset = 0>
-struct OnePTwoCIndices
-{
-
- //! Set the default phase used by the fluid system to the first one
- static const int phaseIdx = GET_PROP_VALUE(TypeTag, PhaseIdx);
-
- //! Component indices
- static const int phaseCompIdx = phaseIdx;//!< The index of the main component of the considered phase
- //! The index of the transported (minor) component; ASSUMES phase indices of 0 and 1
- static const int transportCompIdx = (unsigned int)(1-phaseIdx);
-
- // Equation indices
- static const int conti0EqIdx = PVOffset + 0; //!< continuity equation index
- static const int transportEqIdx = PVOffset + 1; //!< transport equation index
-
- // primary variable indices
- static const int pressureIdx = PVOffset + 0; //!< pressure
- static const int massOrMoleFracIdx = PVOffset + 1; //!< mole fraction of the second component
-};
-
-// \}
-}
+#include <dumux/porousmediumflow/1p2c/implicit/indices.hh>
#endif
diff --git a/dumux/implicit/1p2c/1p2clocalresidual.hh b/dumux/implicit/1p2c/1p2clocalresidual.hh
index a2436001a0..d5e9917cdd 100644
--- a/dumux/implicit/1p2c/1p2clocalresidual.hh
+++ b/dumux/implicit/1p2c/1p2clocalresidual.hh
@@ -1,265 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \file
- *
- * \brief Element-wise calculation the local Jacobian for the single-phase,
- * two-component model in the fully implicit scheme.
- */
+#ifndef DUMUX_ONEP_TWOC_LOCAL_RESIDUAL_HH_OLD
+#define DUMUX_ONEP_TWOC_LOCAL_RESIDUAL_HH_OLD
-#ifndef DUMUX_ONEP_TWOC_LOCAL_RESIDUAL_HH
-#define DUMUX_ONEP_TWOC_LOCAL_RESIDUAL_HH
+#warning this header is deprecated, use dumux/porousmediumflow/1p2c/implicit/localresidual.hh instead
-#include "1p2cproperties.hh"
-
-namespace Dumux
-{
-/*!
- *
- * \ingroup OnePTwoCModel
- * \ingroup ImplicitLocalResidual
- * \brief Calculate the local Jacobian for the single-phase,
- * two-component model in the fully implicit scheme.
- *
- * This class is used to fill the gaps in BoxLocalResidual for the 1p2c flow and transport.
- */
-template<class TypeTag>
-class OnePTwoCLocalResidual : public GET_PROP_TYPE(TypeTag, BaseLocalResidual)
-{
-protected:
- typedef typename GET_PROP_TYPE(TypeTag, LocalResidual) Implementation;
-
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
-
- enum { dim = GridView::dimension };
- enum { dimWorld = GridView::dimensionworld };
- typedef Dune::FieldVector<Scalar, dim> DimVector;
- typedef Dune::FieldVector<Scalar, dimWorld> GlobalPosition;
-
- typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
- typedef typename GET_PROP_TYPE(TypeTag, FluxVariables) FluxVariables;
- typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
- typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
- typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
-
- enum {
- //phase index
- phaseIdx = Indices::phaseIdx,
- transportCompIdx = Indices::transportCompIdx
- };
- // indices of the equations
- enum {
- conti0EqIdx = Indices::conti0EqIdx,
- transportEqIdx = Indices::transportEqIdx
- };
-
- //! property that defines whether mole or mass fractions are used
- static const bool useMoles = GET_PROP_VALUE(TypeTag, UseMoles);
-
-
-
-public:
- /*!
- * \brief Constructor. Sets the upwind weight.
- */
- OnePTwoCLocalResidual()
- {
- // retrieve the upwind weight for the mass conservation equations. Use the value
- // specified via the property system as default, and overwrite
- // it by the run-time parameter from the Dune::ParameterTree
- upwindWeight_ = GET_PARAM_FROM_GROUP(TypeTag, Scalar, Implicit, MassUpwindWeight);
- };
-
- /*!
- * \brief Evaluate the amount of all conservation quantities
- * (e.g. phase mass) within a finite volume.
- *
- * \param storage The mass of the component within the sub-control volume
- * \param scvIdx The index of the considered face of the sub-control volume
- * \param usePrevSol Evaluate function with solution of current or previous time step
- */
- void computeStorage(PrimaryVariables &storage, const int scvIdx, const bool usePrevSol) const
- {
- // if flag usePrevSol is set, the solution from the previous
- // time step is used, otherwise the current solution is
- // used. The secondary variables are used accordingly. This
- // is required to compute the derivative of the storage term
- // using the implicit euler method.
- const ElementVolumeVariables &elemVolVars = usePrevSol ? this->prevVolVars_() : this->curVolVars_();
- const VolumeVariables &volVars = elemVolVars[scvIdx];
-
- storage = 0;
- if(useMoles) // mole-fraction formulation
- {
- // storage term of continuity equation- molefractions
- //careful: molarDensity changes with moleFrac!
- storage[conti0EqIdx] += volVars.molarDensity()*volVars.porosity();
- // storage term of the transport equation - molefractions
- storage[transportEqIdx] +=
- volVars.molarDensity()*volVars.moleFraction(transportCompIdx) *
- volVars.porosity();
- }
- else // mass-fraction formulation
- {
- // storage term of continuity equation - massfractions
- storage[conti0EqIdx] +=
- volVars.density()*volVars.porosity();
- //storage term of the transport equation - massfractions
- storage[transportEqIdx] +=
- volVars.density() * volVars.massFraction(transportCompIdx) * volVars.porosity();
- }
- }
-
- /*!
- * \brief Evaluate the mass flux over a face of a sub-control
- * volume.
- *
- * \param flux The flux over the SCV (sub-control-volume) face for each component
- * \param fIdx The index of the considered face of the sub control volume
- * \param onBoundary A boolean variable to specify whether the flux variables
- * are calculated for interior SCV faces or boundary faces, default=false
- */
- void computeFlux(PrimaryVariables &flux, const int fIdx, const bool onBoundary=false) const
- {
- flux = 0;
- FluxVariables fluxVars(this->problem_(),
- this->element_(),
- this->fvGeometry_(),
- fIdx,
- this->curVolVars_(),
- onBoundary);
-
- asImp_()->computeAdvectiveFlux(flux, fluxVars);
- asImp_()->computeDiffusiveFlux(flux, fluxVars);
- }
-
- /*!
- * \brief Evaluate the advective mass flux of all components over
- * a face of a sub-control volume.
- *
- * \param flux The advective flux over the sub-control-volume face for each component
- * \param fluxVars The flux variables at the current SCV
- */
- void computeAdvectiveFlux(PrimaryVariables &flux, const FluxVariables &fluxVars) const
- {
- ////////
- // advective fluxes of all components in all phases
- ////////
-
- // data attached to upstream and the downstream vertices
- // of the current phase
- const VolumeVariables &up =
- this->curVolVars_(fluxVars.upstreamIdx());
- const VolumeVariables &dn =
- this->curVolVars_(fluxVars.downstreamIdx());
-
- if(!useMoles) //mass-fraction formulation
- {
- // total mass flux - massfraction
- //KmvpNormal is the Darcy velocity multiplied with the normal vector, calculated in 1p2cfluxvariables.hh
- flux[conti0EqIdx] +=
- fluxVars.KmvpNormal() *
- (( upwindWeight_)*up.density()/up.viscosity()
- +
- ((1 - upwindWeight_)*dn.density()/dn.viscosity()));
-
- // advective flux of the second component - massfraction
- flux[transportEqIdx] +=
- fluxVars.KmvpNormal() *
- (( upwindWeight_)*up.density() * up.massFraction(transportCompIdx)/up.viscosity()
- +
- (1 - upwindWeight_)*dn.density()*dn.massFraction(transportCompIdx)/dn.viscosity());
- }
- else //mole-fraction formulation
- {
- // total mass flux - molefraction
- //KmvpNormal is the Darcy velocity multiplied with the normal vector, calculated in 1p2cfluxvariables.hh
- flux[conti0EqIdx] +=
- fluxVars.KmvpNormal() *
- (( upwindWeight_)*up.molarDensity()/up.viscosity()
- +
- ((1 - upwindWeight_)*dn.molarDensity()/dn.viscosity()));
-
- // advective flux of the second component -molefraction
- flux[transportEqIdx] +=
- fluxVars.KmvpNormal() *
- (( upwindWeight_)*up.molarDensity() * up.moleFraction(transportCompIdx)/up.viscosity()
- +
- (1 - upwindWeight_)*dn.molarDensity() * dn.moleFraction(transportCompIdx)/dn.viscosity());
- }
-
- }
-
- /*!
- * \brief Adds the diffusive mass flux of all components over
- * a face of a sub-control volume.
- *
- * \param flux The diffusive flux over the sub-control-volume face for each component
- * \param fluxVars The flux variables at the current SCV
- */
- void computeDiffusiveFlux(PrimaryVariables &flux, const FluxVariables &fluxVars) const
- {
- Scalar tmp(0);
-
- // diffusive flux of second component
- if(useMoles) // mole-fraction formulation
- {
- // diffusive flux of the second component - molefraction
- tmp = -(fluxVars.moleFractionGrad(transportCompIdx)*fluxVars.face().normal);
- tmp *= fluxVars.porousDiffCoeff() * fluxVars.molarDensity();
-
- // dispersive flux of second component - molefraction
- GlobalPosition normalDisp;
- fluxVars.dispersionTensor().mv(fluxVars.face().normal, normalDisp);
- tmp -= fluxVars.molarDensity()*
- (normalDisp * fluxVars.moleFractionGrad(transportCompIdx));
-
- flux[transportEqIdx] += tmp;
- }
- else // mass-fraction formulation
- {
- // diffusive flux of the second component - massfraction
- tmp = -(fluxVars.moleFractionGrad(transportCompIdx)*fluxVars.face().normal);
- tmp *= fluxVars.porousDiffCoeff() * fluxVars.molarDensity();
-
- // dispersive flux of second component - massfraction
- GlobalPosition normalDisp;
- fluxVars.dispersionTensor().mv(fluxVars.face().normal, normalDisp);
- tmp -= fluxVars.molarDensity()*
- (normalDisp * fluxVars.moleFractionGrad(transportCompIdx));
-
- // convert it to a mass flux and add it
- flux[transportEqIdx] += tmp * FluidSystem::molarMass(transportCompIdx);
- }
- }
-
- Implementation *asImp_()
- { return static_cast<Implementation *> (this); }
- const Implementation *asImp_() const
- { return static_cast<const Implementation *> (this); }
-
-private:
- Scalar upwindWeight_;
-};
-
-}
+#include <dumux/porousmediumflow/1p2c/implicit/localresidual.hh>
#endif
diff --git a/dumux/implicit/1p2c/1p2cmodel.hh b/dumux/implicit/1p2c/1p2cmodel.hh
index be109ff96e..b3f56c7ac8 100644
--- a/dumux/implicit/1p2c/1p2cmodel.hh
+++ b/dumux/implicit/1p2c/1p2cmodel.hh
@@ -1,194 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \file
- *
- * \brief Base class for all models which use the single-phase,
- * two-component fully implicit model.
- * Adaption of the fully implicit scheme to the one-phase two-component flow model.
- */
+#ifndef DUMUX_ONEP_TWOC_MODEL_HH_OLD
+#define DUMUX_ONEP_TWOC_MODEL_HH_OLD
-#ifndef DUMUX_ONEP_TWOC_MODEL_HH
-#define DUMUX_ONEP_TWOC_MODEL_HH
+#warning this header is deprecated, use dumux/porousmediumflow/1p2c/implicit/model.hh instead
-#include <dumux/porousmediumflow/implicit/velocityoutput.hh>
-#include "1p2cproperties.hh"
-
-namespace Dumux
-{
-
-/*!
- * \ingroup OnePTwoCModel
- * \brief Adaption of the fully implicit scheme to the one-phase two-component flow model.
- *
- * This model implements a one-phase flow of a compressible fluid, that consists of two components,
- * using a standard Darcy
- * approach as the equation for the conservation of momentum:
- \f[
- v = - \frac{\textbf K}{\mu}
- \left(\textbf{grad}\, p - \varrho {\textbf g} \right)
- \f]
- *
- * Gravity can be enabled or disabled via the property system.
- * By inserting this into the continuity equation, one gets
- \f[
- \phi\frac{\partial \varrho}{\partial t} - \text{div} \left\{
- \varrho \frac{\textbf K}{\mu} \left(\textbf{grad}\, p - \varrho {\textbf g} \right)
- \right\} = q \;,
- \f]
- *
- * The transport of the components \f$\kappa \in \{ w, a \}\f$ is described by the following equation:
- \f[
- \phi \frac{ \partial \varrho X^\kappa}{\partial t}
- - \text{div} \left\lbrace \varrho X^\kappa \frac{{\textbf K}}{\mu} \left( \textbf{grad}\, p -
- \varrho {\textbf g} \right)
- + \varrho D^\kappa_\text{pm} \frac{M^\kappa}{M_\alpha} \textbf{grad} x^\kappa \right\rbrace = q.
- \f]
- *
- * All equations are discretized using a vertex-centered finite volume (box)
- * or cell-centered finite volume scheme as spatial
- * and the implicit Euler method as time discretization.
- * The model is able to use either mole or mass fractions. The property useMoles can be set to either true or false in the
- * problem file. Make sure that the according units are used in the problem setup. useMoles is set to true by default.
- *
- * The primary variables are the pressure \f$p\f$ and the mole or mass fraction of dissolved component \f$x\f$.
- */
-
-template<class TypeTag >
-class OnePTwoCModel : public GET_PROP_TYPE(TypeTag, BaseModel)
-{
- typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
- typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
- typedef typename GET_PROP_TYPE(TypeTag, SolutionVector) SolutionVector;
-
- typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
- enum { dim = GridView::dimension };
- enum { dimWorld = GridView::dimensionworld };
-
- typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
- enum { phaseIdx = Indices::phaseIdx };
-
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
-
- enum { isBox = GET_PROP_VALUE(TypeTag, ImplicitIsBox) };
- enum { dofCodim = isBox ? dim : 0 };
-
-public:
- /*!
- * \brief \copybrief ImplicitModel::addOutputVtkFields
- *
- * Specialization for the OnePTwoCModel, adding pressure,
- * mass and mole fractions, and the process rank to the VTK writer.
- */
- template<class MultiWriter>
- void addOutputVtkFields(const SolutionVector &sol,
- MultiWriter &writer)
- {
- typedef Dune::BlockVector<Dune::FieldVector<double, 1> > ScalarField;
- typedef Dune::BlockVector<Dune::FieldVector<double, dimWorld> > VectorField;
-
- // create the required scalar fields
- unsigned numDofs = this->numDofs();
- ScalarField &pressure = *writer.allocateManagedBuffer(numDofs);
- ScalarField &delp = *writer.allocateManagedBuffer(numDofs);
- ScalarField &moleFraction0 = *writer.allocateManagedBuffer(numDofs);
- ScalarField &moleFraction1 = *writer.allocateManagedBuffer(numDofs);
- ScalarField &massFraction0 = *writer.allocateManagedBuffer(numDofs);
- ScalarField &massFraction1 = *writer.allocateManagedBuffer(numDofs);
- ScalarField &rho = *writer.allocateManagedBuffer(numDofs);
- ScalarField &mu = *writer.allocateManagedBuffer(numDofs);
- VectorField *velocity = writer.template allocateManagedBuffer<double, dimWorld>(numDofs);
- ImplicitVelocityOutput<TypeTag> velocityOutput(this->problem_());
-
- if (velocityOutput.enableOutput())
- {
- // initialize velocity field
- for (unsigned int i = 0; i < numDofs; ++i)
- {
- (*velocity)[i] = Scalar(0);
- }
- }
-
- unsigned numElements = this->gridView_().size(0);
- ScalarField &rank = *writer.allocateManagedBuffer(numElements);
-
- for (const auto& element : Dune::elements(this->gridView_()))
- {
- if(element.partitionType() == Dune::InteriorEntity)
- {
- int eIdx = this->problem_().model().elementMapper().index(element);
-
- rank[eIdx] = this->gridView_().comm().rank();
-
- FVElementGeometry fvGeometry;
- fvGeometry.update(this->gridView_(), element);
-
- ElementVolumeVariables elemVolVars;
- elemVolVars.update(this->problem_(),
- element,
- fvGeometry,
- false /* oldSol? */);
-
- for (int scvIdx = 0; scvIdx < fvGeometry.numScv; ++scvIdx)
- {
- int dofIdxGlobal = this->dofMapper().subIndex(element, scvIdx, dofCodim);
-
- pressure[dofIdxGlobal] = elemVolVars[scvIdx].pressure();
- delp[dofIdxGlobal] = elemVolVars[scvIdx].pressure() - 1e5;
- moleFraction0[dofIdxGlobal] = elemVolVars[scvIdx].moleFraction(0);
- moleFraction1[dofIdxGlobal] = elemVolVars[scvIdx].moleFraction(1);
- massFraction0[dofIdxGlobal] = elemVolVars[scvIdx].massFraction(0);
- massFraction1[dofIdxGlobal] = elemVolVars[scvIdx].massFraction(1);
- rho[dofIdxGlobal] = elemVolVars[scvIdx].density();
- mu[dofIdxGlobal] = elemVolVars[scvIdx].viscosity();
- }
-
- // velocity output
- velocityOutput.calculateVelocity(*velocity, elemVolVars, fvGeometry, element, phaseIdx);
- }
- }
-
- writer.attachDofData(pressure, "P", isBox);
- writer.attachDofData(delp, "delp", isBox);
- if (velocityOutput.enableOutput())
- {
- writer.attachDofData(*velocity, "velocity", isBox, dim);
- }
- char nameMoleFraction0[42], nameMoleFraction1[42];
- snprintf(nameMoleFraction0, 42, "x_%s", FluidSystem::componentName(0));
- snprintf(nameMoleFraction1, 42, "x_%s", FluidSystem::componentName(1));
- writer.attachDofData(moleFraction0, nameMoleFraction0, isBox);
- writer.attachDofData(moleFraction1, nameMoleFraction1, isBox);
-
- char nameMassFraction0[42], nameMassFraction1[42];
- snprintf(nameMassFraction0, 42, "X_%s", FluidSystem::componentName(0));
- snprintf(nameMassFraction1, 42, "X_%s", FluidSystem::componentName(1));
- writer.attachDofData(massFraction0, nameMassFraction0, isBox);
- writer.attachDofData(massFraction1, nameMassFraction1, isBox);
- writer.attachDofData(rho, "rho", isBox);
- writer.attachDofData(mu, "mu", isBox);
- writer.attachCellData(rank, "process rank");
- }
-};
-}
-
-#include "1p2cpropertydefaults.hh"
+#include <dumux/porousmediumflow/1p2c/implicit/model.hh>
#endif
diff --git a/dumux/implicit/1p2c/1p2cproperties.hh b/dumux/implicit/1p2c/1p2cproperties.hh
index 5f511818b8..2d5a957ee5 100644
--- a/dumux/implicit/1p2c/1p2cproperties.hh
+++ b/dumux/implicit/1p2c/1p2cproperties.hh
@@ -1,82 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \ingroup Properties
- * \ingroup ImplicitProperties
- * \ingroup OnePTwoCModel
- * \file
- *
- * \brief Defines the properties required for the single-phase,
- * two-component fully implicit model.
- */
+#ifndef DUMUX_1P2C_PROPERTIES_HH_OLD
+#define DUMUX_1P2C_PROPERTIES_HH_OLD
-#ifndef DUMUX_1P2C_PROPERTIES_HH
-#define DUMUX_1P2C_PROPERTIES_HH
+#warning this header is deprecated, use dumux/porousmediumflow/1p2c/implicit/properties.hh instead
-
-#include <dumux/implicit/box/properties.hh>
-#include <dumux/implicit/cellcentered/properties.hh>
-#include <dumux/porousmediumflow/nonisothermal/implicit/properties.hh>
-
-namespace Dumux
-{
-// \{
-namespace Properties
-{
-
-//////////////////////////////////////////////////////////////////
-// Type tags
-//////////////////////////////////////////////////////////////////
-
-//! The type tags for the implicit isothermal one-phase two-component problems
-NEW_TYPE_TAG(OnePTwoC);
-NEW_TYPE_TAG(BoxOnePTwoC, INHERITS_FROM(BoxModel, OnePTwoC));
-NEW_TYPE_TAG(CCOnePTwoC, INHERITS_FROM(CCModel, OnePTwoC));
-
-//! The type tags for the corresponding non-isothermal problems
-NEW_TYPE_TAG(OnePTwoCNI, INHERITS_FROM(OnePTwoC, NonIsothermal));
-NEW_TYPE_TAG(BoxOnePTwoCNI, INHERITS_FROM(BoxModel, OnePTwoCNI));
-NEW_TYPE_TAG(CCOnePTwoCNI, INHERITS_FROM(CCModel, OnePTwoCNI));
-
-//////////////////////////////////////////////////////////////////
-// Property tags
-//////////////////////////////////////////////////////////////////
-
-NEW_PROP_TAG(NumPhases); //!< Number of fluid phases in the system
-NEW_PROP_TAG(PhaseIdx); //!< A phase index in to allow that a two-phase fluidsystem is used
-NEW_PROP_TAG(NumComponents); //!< Number of fluid components in the system
-NEW_PROP_TAG(Indices); //!< Enumerations for the model
-NEW_PROP_TAG(SpatialParams); //!< The type of the spatial parameters
-NEW_PROP_TAG(EffectiveDiffusivityModel); //!< The employed model for the computation of the effective diffusivity
-NEW_PROP_TAG(FluidSystem); //!< Type of the multi-component relations
-NEW_PROP_TAG(FluidState); //!< Type of the fluid state to be used
-NEW_PROP_TAG(ImplicitMassUpwindWeight); //!< The default value of the upwind weight
-NEW_PROP_TAG(ImplicitMobilityUpwindWeight); //!< Weight for the upwind mobility in the velocity calculation
-NEW_PROP_TAG(ProblemEnableGravity); //!< Returns whether gravity is considered in the problem
-NEW_PROP_TAG(UseMoles); //!< Defines whether mole (true) or mass (false) fractions are used
-NEW_PROP_TAG(Scaling); //!< Defines Scaling of the model
-NEW_PROP_TAG(SpatialParamsForchCoeff); //!< Property for the forchheimer coefficient
-NEW_PROP_TAG(VtkAddVelocity); //!< Returns whether velocity vectors are written into the vtk output
-
-}
-// \}
-}
+#include <dumux/porousmediumflow/1p2c/implicit/properties.hh>
#endif
-
diff --git a/dumux/implicit/1p2c/1p2cpropertydefaults.hh b/dumux/implicit/1p2c/1p2cpropertydefaults.hh
index 7ce6e1294c..4561396de6 100644
--- a/dumux/implicit/1p2c/1p2cpropertydefaults.hh
+++ b/dumux/implicit/1p2c/1p2cpropertydefaults.hh
@@ -1,159 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \ingroup Properties
- * \ingroup ImplicitProperties
- * \ingroup OnePTwoCModel
- * \file
- *
- * \brief Defines some default values for the properties of the the
- * single-phase, two-component fully implicit model.
- */
+#ifndef DUMUX_1P2C_PROPERTY_DEFAULTS_HH_OLD
+#define DUMUX_1P2C_PROPERTY_DEFAULTS_HH_OLD
-#ifndef DUMUX_1P2C_PROPERTY_DEFAULTS_HH
-#define DUMUX_1P2C_PROPERTY_DEFAULTS_HH
+#warning this header is deprecated, use dumux/porousmediumflow/1p2c/implicit/propertydefaults.hh instead
-#include "1p2cproperties.hh"
-#include "1p2cmodel.hh"
-#include "1p2clocalresidual.hh"
-#include "1p2cvolumevariables.hh"
-#include "1p2cfluxvariables.hh"
-#include "1p2cindices.hh"
-
-#include <dumux/porousmediumflow/nonisothermal/implicit/propertydefaults.hh>
-#include <dumux/material/spatialparams/implicitspatialparams1p.hh>
-#include <dumux/material/fluidmatrixinteractions/diffusivitymillingtonquirk.hh>
-#include <dumux/material/fluidmatrixinteractions/1p/thermalconductivityaverage.hh>
-#include <dumux/material/fluidstates/compositionalfluidstate.hh>
-
-namespace Dumux
-{
-// \{
-namespace Properties
-{
-//////////////////////////////////////////////////////////////////
-// Property values
-//////////////////////////////////////////////////////////////////
-
-
-SET_INT_PROP(OnePTwoC, NumEq, 2); //!< set the number of equations to 2
-SET_INT_PROP(OnePTwoC, NumPhases, 1); //!< The number of phases in the 1p2c model is 1
-SET_INT_PROP(OnePTwoC, NumComponents, 2); //!< The number of components in the 1p2c model is 2
-SET_SCALAR_PROP(OnePTwoC, Scaling, 1); //!< Scaling of the model is set to 1 by default
-SET_BOOL_PROP(OnePTwoC, UseMoles, true); //!< Define that mole fractions are used in the balance equations
-
-//! Use the 1p2c local residual function for the 1p2c model
-SET_TYPE_PROP(OnePTwoC, LocalResidual, OnePTwoCLocalResidual<TypeTag>);
-
-//! define the model
-SET_TYPE_PROP(OnePTwoC, Model, OnePTwoCModel<TypeTag>);
-
-//! define the VolumeVariables
-SET_TYPE_PROP(OnePTwoC, VolumeVariables, OnePTwoCVolumeVariables<TypeTag>);
-
-//! define the FluxVariables
-SET_TYPE_PROP(OnePTwoC, FluxVariables, OnePTwoCFluxVariables<TypeTag>);
-
-/*!
- * \brief The fluid state which is used by the volume variables to
- * store the thermodynamic state. This should be chosen
- * appropriately for the model ((non-)isothermal, equilibrium, ...).
- * This can be done in the problem.
- */
-SET_PROP(OnePTwoC, FluidState){
- private:
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
- public:
- typedef Dumux::CompositionalFluidState<Scalar, FluidSystem> type;
-};
-
-//! set default upwind weight to 1.0, i.e. fully upwind
-SET_SCALAR_PROP(OnePTwoC, ImplicitMassUpwindWeight, 1.0);
-
-//! weight for the upwind mobility in the velocity calculation
-SET_SCALAR_PROP(OnePTwoC, ImplicitMobilityUpwindWeight, 1.0);
-
-//! Set the indices used by the 1p2c model
-SET_TYPE_PROP(OnePTwoC, Indices, OnePTwoCIndices<TypeTag>);
-//! The spatial parameters to be employed.
-//! Use ImplicitSpatialParamsOneP by default.
-SET_TYPE_PROP(OnePTwoC, SpatialParams, ImplicitSpatialParamsOneP<TypeTag>);
-
-//! The model after Millington (1961) is used for the effective diffusivity
-SET_PROP(OnePTwoC, EffectiveDiffusivityModel)
-{ private :
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- public:
- typedef DiffusivityMillingtonQuirk<Scalar> type;
-};
-
-//! Set the phaseIndex per default to zero (important for two-phase fluidsystems).
-SET_INT_PROP(OnePTwoC, PhaseIdx, 0);
-
-// disable velocity output by default
-SET_BOOL_PROP(OnePTwoC, VtkAddVelocity, false);
-
-// enable gravity by default
-SET_BOOL_PROP(OnePTwoC, ProblemEnableGravity, true);
-
-//! default value for the forchheimer coefficient
-// Source: Ward, J.C. 1964 Turbulent flow in porous media. ASCE J. Hydraul. Div 90.
-// Actually the Forchheimer coefficient is also a function of the dimensions of the
-// porous medium. Taking it as a constant is only a first approximation
-// (Nield, Bejan, Convection in porous media, 2006, p. 10)
-SET_SCALAR_PROP(OnePTwoC, SpatialParamsForchCoeff, 0.55);
-
-//! average is used as default model to compute the effective thermal heat conductivity
-SET_PROP(OnePTwoCNI, ThermalConductivityModel)
-{ private :
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- public:
- typedef ThermalConductivityAverage<Scalar> type;
-};
-
-//////////////////////////////////////////////////////////////////
-// Property values for isothermal model required for the general non-isothermal model
-//////////////////////////////////////////////////////////////////
-
-// set isothermal Model
-SET_TYPE_PROP(OnePTwoCNI, IsothermalModel, OnePTwoCModel<TypeTag>);
-
-// set isothermal FluxVariables
-SET_TYPE_PROP(OnePTwoCNI, IsothermalFluxVariables, OnePTwoCFluxVariables<TypeTag>);
-
-//set isothermal VolumeVariables
-SET_TYPE_PROP(OnePTwoCNI, IsothermalVolumeVariables, OnePTwoCVolumeVariables<TypeTag>);
-
-//set isothermal LocalResidual
-SET_TYPE_PROP(OnePTwoCNI, IsothermalLocalResidual, OnePTwoCLocalResidual<TypeTag>);
-
-//set isothermal Indices
-SET_TYPE_PROP(OnePTwoCNI, IsothermalIndices, OnePTwoCIndices<TypeTag>);
-
-//set isothermal NumEq
-SET_INT_PROP(OnePTwoCNI, IsothermalNumEq, 2);
-
-
-}
-// \}
-}
+#include <dumux/porousmediumflow/1p2c/implicit/propertydefaults.hh>
#endif
-
diff --git a/dumux/implicit/1p2c/1p2cvolumevariables.hh b/dumux/implicit/1p2c/1p2cvolumevariables.hh
index f056c80b52..df0103b0d2 100644
--- a/dumux/implicit/1p2c/1p2cvolumevariables.hh
+++ b/dumux/implicit/1p2c/1p2cvolumevariables.hh
@@ -1,287 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \file
- * \brief Quantities required by the single-phase, two-component box
- * model defined on a vertex.
- */
-#ifndef DUMUX_1P2C_VOLUME_VARIABLES_HH
-#define DUMUX_1P2C_VOLUME_VARIABLES_HH
+#ifndef DUMUX_1P2C_VOLUME_VARIABLES_HH_OLD
+#define DUMUX_1P2C_VOLUME_VARIABLES_HH_OLD
-#include <dumux/implicit/volumevariables.hh>
+#warning this header is deprecated, use dumux/porousmediumflow/1p2c/implicit/volumevariables.hh instead
-#include "1p2cproperties.hh"
-
-namespace Dumux
-{
-
-/*!
- * \ingroup OnePTwoCModel
- * \ingroup ImplicitVolumeVariables
- * \brief Contains the quantities which are constant within a
- * finite volume in the single-phase, two-component model.
- */
-template <class TypeTag>
-class OnePTwoCVolumeVariables : public ImplicitVolumeVariables<TypeTag>
-{
- typedef ImplicitVolumeVariables<TypeTag> ParentType;
-
- typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
- typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) Implementation;
- typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
- typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
- static const bool useMoles = GET_PROP_VALUE(TypeTag, UseMoles);
-
- typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
- enum {
- phaseIdx = Indices::phaseIdx,
- phaseCompIdx = Indices::phaseCompIdx,
- transportCompIdx = Indices::transportCompIdx
- };
- //indices of primary variables
- enum{
- pressureIdx = Indices::pressureIdx,
- massOrMoleFracIdx = Indices::massOrMoleFracIdx
- };
-
- typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
- typedef typename GridView::template Codim<0>::Entity Element;
- enum { dim = GridView::dimension };
- enum { dimWorld = GridView::dimensionworld };
-
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef Dune::FieldVector<Scalar,dim> DimVector;
- typedef Dune::FieldVector<Scalar,dimWorld> GlobalPosition;
-
-public:
-
- typedef typename GET_PROP_TYPE(TypeTag, FluidState) FluidState;
-
- /*!
- * \copydoc ImplicitVolumeVariables::update
- */
- void update(const PrimaryVariables &priVars,
- const Problem &problem,
- const Element &element,
- const FVElementGeometry &fvGeometry,
- const int scvIdx,
- const bool isOldSol)
- {
- ParentType::update(priVars, problem, element, fvGeometry, scvIdx, isOldSol);
-
- //calculate all secondary variables from the primary variables and store results in fluidstate
- completeFluidState(priVars, problem, element, fvGeometry, scvIdx, fluidState_);
-
- porosity_ = problem.spatialParams().porosity(element, fvGeometry, scvIdx);
-
- dispersivity_ = problem.spatialParams().dispersivity(element, fvGeometry, scvIdx);
-
- // Second instance of a parameter cache.
- // Could be avoided if diffusion coefficients also
- // became part of the fluid state.
- typename FluidSystem::ParameterCache paramCache;
- paramCache.updatePhase(fluidState_, phaseIdx);
-
- diffCoeff_ = FluidSystem::binaryDiffusionCoefficient(fluidState_,
- paramCache,
- phaseIdx,
- phaseCompIdx,
- transportCompIdx);
-
- Valgrind::CheckDefined(porosity_);
- Valgrind::CheckDefined(dispersivity_);
- Valgrind::CheckDefined(diffCoeff_);
-
- // energy related quantities not contained in the fluid state
- asImp_().updateEnergy_(priVars, problem, element, fvGeometry, scvIdx, isOldSol);
- }
-
- /*!
- * \copydoc ImplicitModel::completeFluidState
- */
- static void completeFluidState(const PrimaryVariables& priVars,
- const Problem& problem,
- const Element& element,
- const FVElementGeometry& fvGeometry,
- const int scvIdx,
- FluidState& fluidState)
- {
- Scalar t = Implementation::temperature_(priVars, problem, element,
- fvGeometry, scvIdx);
- fluidState.setTemperature(t);
- fluidState.setSaturation(phaseIdx, 1.);
-
- fluidState.setPressure(phaseIdx, priVars[pressureIdx]);
-
- if(useMoles)
- {
- fluidState.setMoleFraction(phaseIdx, phaseCompIdx, 1 - priVars[massOrMoleFracIdx]);
- fluidState.setMoleFraction(phaseIdx, transportCompIdx, priVars[massOrMoleFracIdx]);
- }
- else
- {
- // setMassFraction() has only to be called 1-numComponents times
- fluidState.setMassFraction(phaseIdx, transportCompIdx, priVars[massOrMoleFracIdx]);
- }
-
- typename FluidSystem::ParameterCache paramCache;
- paramCache.updatePhase(fluidState, phaseIdx);
-
- Scalar value;
- value = FluidSystem::density(fluidState, paramCache, phaseIdx);
- fluidState.setDensity(phaseIdx, value);
- value = FluidSystem::viscosity(fluidState, paramCache, phaseIdx);
- fluidState.setViscosity(phaseIdx, value);
-
- // compute and set the enthalpy
- Scalar h = Implementation::enthalpy_(fluidState, paramCache, phaseIdx);
- fluidState.setEnthalpy(phaseIdx, h);
- }
-
- /*!
- * \brief Return the fluid configuration at the given primary
- * variables
- */
- const FluidState &fluidState() const
- { return fluidState_; }
-
- /*!
- * \brief Return density \f$\mathrm{[kg/m^3]}\f$ the of the fluid phase.
- */
- Scalar density() const
- { return fluidState_.density(phaseIdx); }
-
- /*!
- * \brief Return molar density \f$\mathrm{[mol/m^3]}\f$ the of the fluid phase.
- */
- Scalar molarDensity() const
- { return fluidState_.molarDensity(phaseIdx);}
-
- /*!
- * \brief Return mole fraction \f$\mathrm{[mol/mol]}\f$ of a component in the phase.
- *
- * \param compIdx The index of the component
- */
- Scalar moleFraction(int compIdx) const
- { return fluidState_.moleFraction(phaseIdx, (compIdx==0)?phaseCompIdx:transportCompIdx); }
-
- /*!
- * \brief Return mass fraction \f$\mathrm{[kg/kg]}\f$ of a component in the phase.
- *
- * \param compIdx The index of the component
- */
- Scalar massFraction(int compIdx) const
- { return fluidState_.massFraction(phaseIdx, (compIdx==0)?phaseCompIdx:transportCompIdx); }
-
- /*!
- * \brief Return concentration \f$\mathrm{[mol/m^3]}\f$ of a component in the phase.
- *
- * \param compIdx The index of the component
- */
- Scalar molarity(int compIdx) const
- { return fluidState_.molarity(phaseIdx, (compIdx==0)?phaseCompIdx:transportCompIdx); }
-
- /*!
- * \brief Return the effective pressure \f$\mathrm{[Pa]}\f$ of a given phase within
- * the control volume.
- */
- Scalar pressure() const
- { return fluidState_.pressure(phaseIdx); }
-
- /*!
- * \brief Return the binary diffusion coefficient \f$\mathrm{[m^2/s]}\f$ in the fluid.
- */
- Scalar diffCoeff() const
- { return diffCoeff_; }
-
- /*!
- * \brief Returns the dispersivity of the fluid's streamlines.
- */
- const GlobalPosition &dispersivity() const
- { return dispersivity_; }
-
- /*!
- * \brief Return temperature \f$\mathrm{[K]}\f$ inside the sub-control volume.
- *
- * Note that we assume thermodynamic equilibrium, i.e. the
- * temperature of the rock matrix and of all fluid phases are
- * identical.
- */
- Scalar temperature() const
- { return fluidState_.temperature(phaseIdx); }
-
- /*!
- * \brief Return the dynamic viscosity \f$\mathrm{[Pa*s]}\f$ of a given phase
- * within the control volume.
- */
- Scalar viscosity() const
- { return fluidState_.viscosity(phaseIdx); }
-
- /*!
- * \brief Return the average porosity \f$\mathrm{[-]}\f$ within the control volume.
- */
- Scalar porosity() const
- { return porosity_; }
-
-protected:
- static Scalar temperature_(const PrimaryVariables &priVars,
- const Problem& problem,
- const Element &element,
- const FVElementGeometry &fvGeometry,
- const int scvIdx)
- {
- return problem.temperatureAtPos(fvGeometry.subContVol[scvIdx].global);
- }
-
- template<class ParameterCache>
- static Scalar enthalpy_(const FluidState& fluidState,
- const ParameterCache& paramCache,
- const int phaseIdx)
- {
- return 0;
- }
-
- /*!
- * \brief Called by update() to compute the energy related quantities.
- */
- void updateEnergy_(const PrimaryVariables &priVars,
- const Problem &problem,
- const Element &element,
- const FVElementGeometry &fvGeometry,
- const int scvIdx,
- const bool isOldSol)
- { }
-
- Scalar porosity_; //!< Effective porosity within the control volume
- GlobalPosition dispersivity_;
- Scalar diffCoeff_;
- FluidState fluidState_;
-
-private:
- Implementation &asImp_()
- { return *static_cast<Implementation*>(this); }
-
- const Implementation &asImp_() const
- { return *static_cast<const Implementation*>(this); }
-};
-
-}// end namespace
+#include <dumux/porousmediumflow/1p2c/implicit/volumevariables.hh>
#endif
diff --git a/dumux/implicit/2p2c/2p2cfluxvariables.hh b/dumux/implicit/2p2c/2p2cfluxvariables.hh
index 8f0487eb25..7adf5ca5a5 100644
--- a/dumux/implicit/2p2c/2p2cfluxvariables.hh
+++ b/dumux/implicit/2p2c/2p2cfluxvariables.hh
@@ -1,255 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \file
- * \brief Contains the data which is required to calculate
- * all fluxes of components over a face of a finite volume for
- * the two-phase two-component model fully implicit model.
- */
-#ifndef DUMUX_2P2C_FLUX_VARIABLES_HH
-#define DUMUX_2P2C_FLUX_VARIABLES_HH
+#ifndef DUMUX_2P2C_FLUX_VARIABLES_HH_OLD
+#define DUMUX_2P2C_FLUX_VARIABLES_HH_OLD
-#include <dumux/common/math.hh>
-#include <dumux/common/spline.hh>
+#warning this header is deprecated, use dumux/porousmediumflow/2p2c/implicit/fluxvariables.hh instead
-#include "2p2cproperties.hh"
-
-namespace Dumux
-{
-
-/*!
- * \ingroup TwoPTwoCModel
- * \ingroup ImplicitFluxVariables
- * \brief Contains the data which is required to calculate
- * all fluxes of components over a face of a finite volume for
- * the two-phase two-component model fully implicit model.
- *
- * This means pressure and concentration gradients, phase densities at
- * the integration point, etc.
- */
-template <class TypeTag>
-class TwoPTwoCFluxVariables : public GET_PROP_TYPE(TypeTag, BaseFluxVariables)
-{
- typedef typename GET_PROP_TYPE(TypeTag, BaseFluxVariables) BaseFluxVariables;
- typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
- typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
- typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
- typedef typename GET_PROP_TYPE(TypeTag, EffectiveDiffusivityModel) EffectiveDiffusivityModel;
- enum { numPhases = GET_PROP_VALUE(TypeTag, NumPhases) };
-
- typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
- enum {
- wPhaseIdx = Indices::wPhaseIdx,
- nPhaseIdx = Indices::nPhaseIdx,
- wCompIdx = Indices::wCompIdx,
- nCompIdx = Indices::nCompIdx
- };
-
- typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
- typedef typename GridView::template Codim<0>::Entity Element;
- enum { dim = GridView::dimension };
- enum { dimWorld = GridView::dimensionworld} ;
-
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef Dune::FieldVector<Scalar, dim> DimVector;
- typedef Dune::FieldVector<Scalar, dimWorld> GlobalPosition;
-
- typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
-
- public:
- /*!
- * \brief The constructor
- *
- * \param problem The problem
- * \param element The finite element
- * \param fvGeometry The finite-volume geometry in the fully implicit scheme
- * \param fIdx The local index of the sub-control-volume face
- * \param elemVolVars The volume variables of the current element
- * \param onBoundary Evaluate flux at inner sub-control-volume face or on a boundary face
- */
- TwoPTwoCFluxVariables(const Problem &problem,
- const Element &element,
- const FVElementGeometry &fvGeometry,
- const int fIdx,
- const ElementVolumeVariables &elemVolVars,
- const bool onBoundary = false)
- : BaseFluxVariables(problem, element, fvGeometry, fIdx, elemVolVars, onBoundary)
- {
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
- density_[phaseIdx] = Scalar(0);
- molarDensity_[phaseIdx] = Scalar(0);
- moleFractionGrad_[phaseIdx] = Scalar(0);
- }
-
- calculateValues_(problem, element, elemVolVars);
- }
-
- protected:
- void calculateValues_(const Problem &problem,
- const Element &element,
- const ElementVolumeVariables &elemVolVars)
- {
- // calculate densities at the integration points of the face
- GlobalPosition tmp(0.0);
- for (unsigned int idx = 0;
- idx < this->face().numFap;
- idx++) // loop over adjacent vertices
- {
- // index for the element volume variables
- int volVarsIdx = this->face().fapIndices[idx];
-
- for (int phaseIdx = 0; phaseIdx < numPhases; phaseIdx++)
- {
- density_[phaseIdx] += elemVolVars[volVarsIdx].density(phaseIdx)*
- this->face().shapeValue[idx];
- molarDensity_[phaseIdx] += elemVolVars[volVarsIdx].molarDensity(phaseIdx)*
- this->face().shapeValue[idx];
- }
- }
-
- calculateGradients_(problem, element, elemVolVars);
- calculatePorousDiffCoeff_(problem, element, elemVolVars);
- }
-
- void calculateGradients_(const Problem &problem,
- const Element &element,
- const ElementVolumeVariables &elemVolVars)
- {
- // calculate gradients
- GlobalPosition tmp(0.0);
- for (unsigned int idx = 0;
- idx < this->face().numFap;
- idx++) // loop over adjacent vertices
- {
- // FE gradient at vertex idx
- const GlobalPosition &feGrad = this->face().grad[idx];
-
- // index for the element volume variables
- int volVarsIdx = this->face().fapIndices[idx];
-
- // the mole fraction gradient of the wetting phase
- tmp = feGrad;
- tmp *= elemVolVars[volVarsIdx].moleFraction(wPhaseIdx, nCompIdx);
- moleFractionGrad_[wPhaseIdx] += tmp;
-
- // the mole fraction gradient of the non-wetting phase
- tmp = feGrad;
- tmp *= elemVolVars[volVarsIdx].moleFraction(nPhaseIdx, wCompIdx);
- moleFractionGrad_[nPhaseIdx] += tmp;
- }
- }
-
- Scalar rhoFactor_(int phaseIdx, int scvIdx, const ElementVolumeVariables &vDat)
- {
- static const Scalar eps = 1e-2;
- const Scalar sat = vDat[scvIdx].density(phaseIdx);
- if (sat > eps)
- return 0.5;
- if (sat <= 0)
- return 0;
-
- static const Dumux::Spline<Scalar> sp(0, eps, // x0, x1
- 0, 0.5, // y0, y1
- 0, 0); // m0, m1
- return sp.eval(sat);
- }
-
- void calculatePorousDiffCoeff_(const Problem &problem,
- const Element &element,
- const ElementVolumeVariables &elemVolVars)
- {
- const VolumeVariables &volVarsI = elemVolVars[this->face().i];
- const VolumeVariables &volVarsJ = elemVolVars[this->face().j];
-
- // the effective diffusion coefficients at vertex i and j
- Scalar diffCoeffI;
- Scalar diffCoeffJ;
-
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- {
- // make sure to only calculate diffusion coefficients
- // for phases which exist in both finite volumes
- if (volVarsI.saturation(phaseIdx) <= 0 || volVarsJ.saturation(phaseIdx) <= 0)
- {
- porousDiffCoeff_[phaseIdx] = 0.0;
- continue;
- }
-
- diffCoeffI = EffectiveDiffusivityModel::effectiveDiffusivity(volVarsI.porosity(),
- volVarsI.saturation(phaseIdx),
- volVarsI.diffCoeff(phaseIdx));
-
- diffCoeffJ = EffectiveDiffusivityModel::effectiveDiffusivity(volVarsJ.porosity(),
- volVarsJ.saturation(phaseIdx),
- volVarsJ.diffCoeff(phaseIdx));
-
- // -> harmonic mean
- porousDiffCoeff_[phaseIdx] = harmonicMean(diffCoeffI, diffCoeffJ);
- }
- }
-
- public:
- /*!
- * \brief Returns the effective diffusion coefficient \f$\mathrm{[m^2/s]}\f$
- * for each fluid phase in the porous medium.
- *
- * \param phaseIdx The phase index
- */
- Scalar porousDiffCoeff(int phaseIdx) const
- { return porousDiffCoeff_[phaseIdx]; };
-
- /*!
- * \brief Returns the density \f$\mathrm{[kg/m^3]}\f$ of a phase.
- *
- * \param phaseIdx The phase index
- */
- Scalar density(int phaseIdx) const
- { return density_[phaseIdx]; }
-
- /*!
- * \brief Returns the molar density \f$\mathrm{[mol/m^3]}\f$ of a phase.
- *
- * \param phaseIdx The phase index
- */
- Scalar molarDensity(int phaseIdx) const
- { return molarDensity_[phaseIdx]; }
-
- /*!
- * \brief Returns the mole fraction gradient \f$\mathrm{[1/m]}\f$
- * of the dissolved component in a phase.
- *
- * \param phaseIdx The phase index
- */
- const GlobalPosition &moleFractionGrad(int phaseIdx) const
- { return moleFractionGrad_[phaseIdx]; };
-
- protected:
- // mole fraction gradients
- GlobalPosition moleFractionGrad_[numPhases];
-
- // density of each face at the integration point
- Scalar density_[numPhases], molarDensity_[numPhases];
-
- // the diffusion coefficient for the porous medium
- Scalar porousDiffCoeff_[numPhases];
-};
-
-} // end namespace
+#include <dumux/porousmediumflow/2p2c/implicit/fluxvariables.hh>
#endif
diff --git a/dumux/implicit/2p2c/2p2cindices.hh b/dumux/implicit/2p2c/2p2cindices.hh
index c38f751efa..78016b2c91 100644
--- a/dumux/implicit/2p2c/2p2cindices.hh
+++ b/dumux/implicit/2p2c/2p2cindices.hh
@@ -1,145 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
+#ifndef DUMUX_2P2C_INDICES_HH_OLD
+#define DUMUX_2P2C_INDICES_HH_OLD
-/*!
- * \file
- * \brief Defines the indices required for the two-phase two-component
- * fully implicit model.
- */
-#ifndef DUMUX_2P2C_INDICES_HH
-#define DUMUX_2P2C_INDICES_HH
+#warning this header is deprecated, use dumux/porousmediumflow/2p2c/implicit/indices.hh instead
-#include "2p2cproperties.hh"
-
-namespace Dumux
-{
-// \{
-
-/*!
- * \ingroup TwoPTwoCModel
- * \ingroup ImplicitIndices
- * \brief Enumerates the formulations which the two-phase two-component model accepts.
- */
-struct TwoPTwoCFormulation
-{
- static const int pwsn = 0; //!< pw and sn as primary variables
- static const int pnsw = 1; //!< pn and sw as primary variables
-};
-
-/*!
- * \ingroup TwoPTwoCModel
- * \ingroup ImplicitIndices
- * \brief The indices for the isothermal two-phase two-component model.
- *
- * \tparam formulation The formulation, either pwsn or pnsw.
- * \tparam PVOffset The first index in a primary variable vector.
- */
-template <class TypeTag,
- int formulation = TwoPTwoCFormulation::pwsn,
- int PVOffset = 0>
-class TwoPTwoCIndices
-{
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
-
-public:
- // Phase indices
- static const int wPhaseIdx = FluidSystem::wPhaseIdx; //!< Index of the wetting phase
- static const int nPhaseIdx = FluidSystem::nPhaseIdx; //!< Index of the non-wetting phase
-
- // Component indices
- static const int wCompIdx = FluidSystem::wCompIdx; //!< Index of the primary component of the wetting phase
- static const int nCompIdx = FluidSystem::nCompIdx; //!< Index of the primary component of the non-wetting phase
-
- // present phases (-> 'pseudo' primary variable)
- static const int wPhaseOnly = 1; //!< Only the wetting phase is present
- static const int nPhaseOnly = 0; //!< Only the non-wetting phase is present
- static const int bothPhases = 2; //!< Both phases are present
-
- // Primary variable indices
- //! Index for wetting/non-wetting phase pressure (depending on the formulation) in a solution vector
- static const int pressureIdx = PVOffset + 0;
- //! Index of either the saturation or the mass fraction of the non-wetting/wetting phase
- static const int switchIdx = PVOffset + 1;
-
- //! Index for wetting phase pressure in a solution vector
- static const int pwIdx = pressureIdx;
- //! Index of either the saturation of the non-wetting phase or the mass fraction secondary component in the only phase
- static const int snOrXIdx = switchIdx;
-
- // equation indices
- //! Index of the mass conservation equation for the first component
- static const int conti0EqIdx = PVOffset;
- //! Index of the mass conservation equation for the primary component of the wetting phase
- static const int contiWEqIdx = conti0EqIdx + wCompIdx;
- //! Index of the mass conservation equation for the primary component of the non-wetting phase
- static const int contiNEqIdx = conti0EqIdx + nCompIdx;
-};
-
-/*!
- * \ingroup TwoPTwoCModel
- * \ingroup ImplicitIndices
- * \brief The indices for the isothermal two-phase two-component model in the pn-sw
- * formulation.
- *
- * \tparam PVOffset The first index in a primary variable vector.
- */
-template <class TypeTag, int PVOffset>
-class TwoPTwoCIndices<TypeTag, TwoPTwoCFormulation::pnsw, PVOffset>
-{
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
-
-public:
- // Phase indices
- static const int wPhaseIdx = FluidSystem::wPhaseIdx; //!< Index of the wetting phase
- static const int nPhaseIdx = FluidSystem::nPhaseIdx; //!< Index of the non-wetting phase
-
- // Component indices
- static const int wCompIdx = FluidSystem::wCompIdx; //!< Index of the primary component of the wetting phase
- static const int nCompIdx = FluidSystem::nCompIdx; //!< Index of the primary component of the non-wetting phase
-
- // present phases (-> 'pseudo' primary variable)
- static const int wPhaseOnly = 1; //!< Only the wetting phase is present
- static const int nPhaseOnly = 2; //!< Only the non-wetting phase is present
- static const int bothPhases = 3; //!< Both phases are present
-
- // Primary variable indices
- //! Index for wetting/non-wetting phase pressure (depending on the formulation) in a solution vector
- static const int pressureIdx = PVOffset + 0;
- //! Index of either the saturation or the mass fraction of the non-wetting/wetting phase
- static const int switchIdx = PVOffset + 1;
-
- //! Index for non-wetting phase pressure in a solution vector
- static const int pnIdx = pressureIdx;
- //! Index of either the saturation of the liquid phase or the mass fraction of the secondary component in the only phase
- static const int swOrXIdx = switchIdx;
-
- // Equation indices
- //! Index of the mass conservation equation for the first component
- static const int conti0EqIdx = PVOffset;
- //! Index of the mass conservation equation for the primary component of the wetting phase
- static const int contiWEqIdx = conti0EqIdx + wCompIdx;
- //! Index of the mass conservation equation for the primary component of the non-wetting phase
- static const int contiNEqIdx = conti0EqIdx + nCompIdx;
-};
-
-// \}
-
-}
+#include <dumux/porousmediumflow/2p2c/implicit/indices.hh>
#endif
diff --git a/dumux/implicit/2p2c/2p2clocalresidual.hh b/dumux/implicit/2p2c/2p2clocalresidual.hh
index 3a5dcfcfd2..42750ec567 100644
--- a/dumux/implicit/2p2c/2p2clocalresidual.hh
+++ b/dumux/implicit/2p2c/2p2clocalresidual.hh
@@ -1,507 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \file
- *
- * \brief Element-wise calculation of the Jacobian matrix for problems
- * using the two-phase two-component fully implicit model.
- */
+#ifndef DUMUX_2P2C_LOCAL_RESIDUAL_BASE_HH_OLD
+#define DUMUX_2P2C_LOCAL_RESIDUAL_BASE_HH_OLD
-#ifndef DUMUX_2P2C_LOCAL_RESIDUAL_BASE_HH
-#define DUMUX_2P2C_LOCAL_RESIDUAL_BASE_HH
+#warning this header is deprecated, use dumux/porousmediumflow/2p2c/implicit/localresidual.hh instead
-#include "2p2cproperties.hh"
-
-namespace Dumux
-{
-/*!
- * \ingroup TwoPTwoCModel
- * \ingroup ImplicitLocalResidual
- * \brief Element-wise calculation of the Jacobian matrix for problems
- * using the two-phase two-component fully implicit model.
- *
- * This class is used to fill the gaps in ImplicitLocalResidual for the
- * two-phase two-component flow.
- */
-template<class TypeTag>
-class TwoPTwoCLocalResidual: public GET_PROP_TYPE(TypeTag, BaseLocalResidual)
-{
- protected:
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef typename GET_PROP_TYPE(TypeTag, LocalResidual) Implementation;
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
- typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
- typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
- typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
- typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
- typedef typename GET_PROP_TYPE(TypeTag, ElementBoundaryTypes) ElementBoundaryTypes;
- typedef typename GET_PROP_TYPE(TypeTag, FluxVariables) FluxVariables;
- enum
- {
- numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
- numComponents = GET_PROP_VALUE(TypeTag, NumComponents)
- };
-
- typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
- enum
- {
- contiWEqIdx = Indices::contiWEqIdx,
- contiNEqIdx = Indices::contiNEqIdx,
- wPhaseIdx = Indices::wPhaseIdx,
- nPhaseIdx = Indices::nPhaseIdx,
- wCompIdx = Indices::wCompIdx,
- nCompIdx = Indices::nCompIdx
- };
-
- typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
- typedef typename GridView::template Codim<0>::Entity Element;
-
- static constexpr unsigned int replaceCompEqIdx =
- GET_PROP_VALUE(TypeTag, ReplaceCompEqIdx);
-
- //! Property that defines whether mole or mass fractions are used
- static const bool useMoles = GET_PROP_VALUE(TypeTag, UseMoles);
-
- public:
- /*!
- * \brief Constructor
- *
- * Sets the mass upwind weight.
- */
- TwoPTwoCLocalResidual()
- {
- // retrieve the upwind weight for the mass conservation equations. Use the value
- // specified via the property system as default, and overwrite
- // it by the run-time parameter from the Dune::ParameterTree
- massUpwindWeight_ = GET_PARAM_FROM_GROUP(TypeTag, Scalar, Implicit, MassUpwindWeight);
- }
-
- /*!
- * \brief Evaluate the storage term of the current solution in a
- * single phase.
- *
- * \param element The element
- * \param phaseIdx The index of the fluid phase
- */
- void evalPhaseStorage(const Element &element, const int phaseIdx)
- {
- FVElementGeometry fvGeometry;
- fvGeometry.update(this->gridView_(), element);
- ElementBoundaryTypes bcTypes;
- bcTypes.update(this->problem_(), element, fvGeometry);
- ElementVolumeVariables elemVolVars;
- elemVolVars.update(this->problem_(), element, fvGeometry, false);
-
- this->storageTerm_.resize(fvGeometry.numScv);
- this->storageTerm_ = 0;
-
- this->elemPtr_ = &element;
- this->fvElemGeomPtr_ = &fvGeometry;
- this->bcTypesPtr_ = &bcTypes;
- this->prevVolVarsPtr_ = 0;
- this->curVolVarsPtr_ = &elemVolVars;
- evalPhaseStorage_(phaseIdx);
- }
-
- /*!
- * \brief Evaluate the amount of all conservation quantities
- * (e.g. phase mass) within a sub-control volume.
- *
- * \param storage The mass of the component within the sub-control volume
- * \param scvIdx The sub-control-volume index
- * \param usePrevSol Based on usePrevSol solution of current or previous time step is used
- *
- * The result should be averaged over the volume (e.g. phase mass
- * inside a sub-control volume divided by the volume)
- */
- void computeStorage(PrimaryVariables &storage, const int scvIdx, bool usePrevSol) const
- {
- // if flag usePrevSol is set, the solution from the previous
- // time step is used, otherwise the current solution is
- // used. The secondary variables are used accordingly. This
- // is required to compute the derivative of the storage term
- // using the implicit Euler method.
- const ElementVolumeVariables &elemVolVars = usePrevSol ? this->prevVolVars_()
- : this->curVolVars_();
- const VolumeVariables &volVars = elemVolVars[scvIdx];
-
- // compute storage term of all components within all phases
- storage = 0;
- if(useMoles) // mole-fraction formulation
- {
- for (unsigned int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- {
- for (unsigned int compIdx = contiCompIdx1_(); compIdx <= contiCompIdx2_(); ++compIdx)
- {
- unsigned int eqIdx = (compIdx == wCompIdx) ? contiWEqIdx : contiNEqIdx;
- storage[eqIdx] += volVars.molarDensity(phaseIdx)
- * volVars.saturation(phaseIdx)
- * volVars.moleFraction(phaseIdx, compIdx);
- }
- // this is only processed if one component mass balance equation
- // is replaced by the total mass balance equation
- if (replaceCompEqIdx < numComponents)
- storage[replaceCompEqIdx] +=
- volVars.molarDensity(phaseIdx)
- * volVars.saturation(phaseIdx);
- }
- storage *= volVars.porosity();
- }
- else // mass-fraction formulation
- {
- for (unsigned int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- {
- for (unsigned int compIdx = contiCompIdx1_(); compIdx <= contiCompIdx2_(); ++compIdx)
- {
- unsigned int eqIdx = (compIdx == wCompIdx) ? contiWEqIdx : contiNEqIdx;
- storage[eqIdx] += volVars.density(phaseIdx)
- * volVars.saturation(phaseIdx)
- * volVars.massFraction(phaseIdx, compIdx);
- }
- // this is only processed if one component mass balance equation
- // is replaced by the total mass balance equation
- if (replaceCompEqIdx < numComponents)
- storage[replaceCompEqIdx] +=
- volVars.density(phaseIdx)
- * volVars.saturation(phaseIdx);
- }
- storage *= volVars.porosity();
- }
- }
-
- /*!
- * \brief Evaluates the total flux of all conservation quantities
- * over a face of a sub-control volume.
- *
- * \param flux The flux over the sub-control-volume face for each component
- * \param fIdx The index of the sub-control-volume face
- * \param onBoundary Evaluate flux at inner sub-control-volume face or on a boundary face
- */
- void computeFlux(PrimaryVariables &flux, const int fIdx, bool onBoundary=false) const
- {
- FluxVariables fluxVars(this->problem_(),
- this->element_(),
- this->fvGeometry_(),
- fIdx,
- this->curVolVars_(),
- onBoundary);
-
- flux = 0;
- asImp_()->computeAdvectiveFlux(flux, fluxVars);
- Valgrind::CheckDefined(flux);
- asImp_()->computeDiffusiveFlux(flux, fluxVars);
- Valgrind::CheckDefined(flux);
- }
-
- /*!
- * \brief Evaluates the advective mass flux of all components over
- * a face of a sub-control volume.
- *
- * \param flux The flux over the sub-control-volume face for each component
- * \param fluxVars The flux variables at the current sub-control-volume face
- */
- void computeAdvectiveFlux(PrimaryVariables &flux, const FluxVariables &fluxVars) const
- {
- ////////
- // advective fluxes of all components in all phases
- ////////
-
- if(useMoles) // mole-fraction formulation
- {
- for (unsigned int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- {
- // data attached to upstream and the downstream vertices
- // of the current phase
- const VolumeVariables &up =
- this->curVolVars_(fluxVars.upstreamIdx(phaseIdx));
- const VolumeVariables &dn =
- this->curVolVars_(fluxVars.downstreamIdx(phaseIdx));
-
- for (unsigned int compIdx = contiCompIdx1_(); compIdx <= contiCompIdx2_(); ++compIdx)
- {
- unsigned int eqIdx = (compIdx == wCompIdx) ? contiWEqIdx : contiNEqIdx;
- // add advective flux of current component in current
- // phase
- if (massUpwindWeight_ > 0.0)
- // upstream vertex
- flux[eqIdx] +=
- fluxVars.volumeFlux(phaseIdx)
- * massUpwindWeight_
- * up.molarDensity(phaseIdx)
- * up.moleFraction(phaseIdx, compIdx);
- if (massUpwindWeight_ < 1.0)
- // downstream vertex
- flux[eqIdx] +=
- fluxVars.volumeFlux(phaseIdx)
- * (1 - massUpwindWeight_)
- * dn.molarDensity(phaseIdx)
- * dn.moleFraction(phaseIdx, compIdx);
-
- Valgrind::CheckDefined(fluxVars.volumeFlux(phaseIdx));
- Valgrind::CheckDefined(up.molarDensity(phaseIdx));
- Valgrind::CheckDefined(up.moleFraction(phaseIdx, compIdx));
- Valgrind::CheckDefined(dn.molarDensity(phaseIdx));
- Valgrind::CheckDefined(dn.moleFraction(phaseIdx, compIdx));
- }
- // flux of the total mass balance;
- // this is only processed if one component mass balance equation
- // is replaced by a total mass balance equation
- if (replaceCompEqIdx < numComponents)
- {
- // upstream vertex
- if (massUpwindWeight_ > 0.0)
- flux[replaceCompEqIdx] +=
- fluxVars.volumeFlux(phaseIdx)
- * massUpwindWeight_
- * up.molarDensity(phaseIdx);
- // downstream vertex
- if (massUpwindWeight_ < 1.0)
- flux[replaceCompEqIdx] +=
- fluxVars.volumeFlux(phaseIdx)
- * (1 - massUpwindWeight_)
- * dn.molarDensity(phaseIdx);
- Valgrind::CheckDefined(fluxVars.volumeFlux(phaseIdx));
- Valgrind::CheckDefined(up.molarDensity(phaseIdx));
- Valgrind::CheckDefined(dn.molarDensity(phaseIdx));
-
- }
-
- }
- }
- else // mass-fraction formulation
- {
- for (unsigned int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- {
- // data attached to upstream and downstream vertices
- // of the current phase
- const VolumeVariables &up =
- this->curVolVars_(fluxVars.upstreamIdx(phaseIdx));
- const VolumeVariables &dn =
- this->curVolVars_(fluxVars.downstreamIdx(phaseIdx));
-
- for (unsigned int compIdx = contiCompIdx1_(); compIdx <= contiCompIdx2_(); ++compIdx)
- {
- unsigned int eqIdx = (compIdx == wCompIdx) ? contiWEqIdx : contiNEqIdx;
- // add advective flux of current component in current
- // phase
- if (massUpwindWeight_ > 0.0)
- // upstream vertex
- flux[eqIdx] +=
- fluxVars.volumeFlux(phaseIdx)
- * massUpwindWeight_
- * up.density(phaseIdx)
- * up.massFraction(phaseIdx, compIdx);
- if (massUpwindWeight_ < 1.0)
- // downstream vertex
- flux[eqIdx] +=
- fluxVars.volumeFlux(phaseIdx)
- * (1 - massUpwindWeight_)
- * dn.density(phaseIdx)
- * dn.massFraction(phaseIdx, compIdx);
-
- Valgrind::CheckDefined(fluxVars.volumeFlux(phaseIdx));
- Valgrind::CheckDefined(up.density(phaseIdx));
- Valgrind::CheckDefined(up.massFraction(phaseIdx, compIdx));
- Valgrind::CheckDefined(dn.density(phaseIdx));
- Valgrind::CheckDefined(dn.massFraction(phaseIdx, compIdx));
- }
- // flux of the total mass balance;
- // this is only processed if one component mass balance equation
- // is replaced by a total mass balance equation
- if (replaceCompEqIdx < numComponents)
- {
- // upstream vertex
- if (massUpwindWeight_ > 0.0)
- flux[replaceCompEqIdx] +=
- fluxVars.volumeFlux(phaseIdx)
- * massUpwindWeight_
- * up.density(phaseIdx);
- // downstream vertex
- if (massUpwindWeight_ < 1.0)
- flux[replaceCompEqIdx] +=
- fluxVars.volumeFlux(phaseIdx)
- * (1 - massUpwindWeight_)
- * dn.density(phaseIdx);
- Valgrind::CheckDefined(fluxVars.volumeFlux(phaseIdx));
- Valgrind::CheckDefined(up.density(phaseIdx));
- Valgrind::CheckDefined(dn.density(phaseIdx));
-
- }
-
- }
- }
- }
-
- /*!
- * \brief Evaluates the diffusive mass flux of all components over
- * a face of a sub-control volume.
- *
- * \param flux The flux over the sub-control-volume face for each component
- * \param fluxVars The flux variables at the current sub-control-volume face
- */
- void computeDiffusiveFlux(PrimaryVariables &flux, const FluxVariables &fluxVars) const
-
- {
- if(useMoles) // mole-fraction formulation
- {
- // add diffusive flux of gas component in liquid phase
- Scalar tmp = - (fluxVars.moleFractionGrad(wPhaseIdx)*fluxVars.face().normal);
- tmp *=
- fluxVars.porousDiffCoeff(wPhaseIdx) *
- fluxVars.molarDensity(wPhaseIdx);
- // add the diffusive fluxes only to the component mass balance
- if (replaceCompEqIdx != contiNEqIdx)
- flux[contiNEqIdx] += tmp;
- if (replaceCompEqIdx != contiWEqIdx)
- flux[contiWEqIdx] -= tmp;
-
- // add diffusive flux of liquid component in non-wetting phase
- tmp = -(fluxVars.moleFractionGrad(nPhaseIdx)*fluxVars.face().normal);
- tmp *=
- fluxVars.porousDiffCoeff(nPhaseIdx) *
- fluxVars.molarDensity(nPhaseIdx);
- // add the diffusive fluxes only to the component mass balance
- if (replaceCompEqIdx != contiWEqIdx)
- flux[contiWEqIdx] += tmp;
- if (replaceCompEqIdx != contiNEqIdx)
- flux[contiNEqIdx] -= tmp;
- }
- else // mass-fraction formulation
- {
- // add diffusive flux of gas component in liquid phase
- Scalar tmp = - (fluxVars.moleFractionGrad(wPhaseIdx)*fluxVars.face().normal);
- tmp *=
- fluxVars.porousDiffCoeff(wPhaseIdx) *
- fluxVars.molarDensity(wPhaseIdx);
- // add the diffusive fluxes only to the component mass balance
- if (replaceCompEqIdx != contiNEqIdx)
- flux[contiNEqIdx] += tmp * FluidSystem::molarMass(nCompIdx);
- if (replaceCompEqIdx != contiWEqIdx)
- flux[contiWEqIdx] -= tmp * FluidSystem::molarMass(wCompIdx);
-
- // add diffusive flux of liquid component in non-wetting phase
- tmp = -(fluxVars.moleFractionGrad(nPhaseIdx)*fluxVars.face().normal);
- tmp *=
- fluxVars.porousDiffCoeff(nPhaseIdx) *
- fluxVars.molarDensity(nPhaseIdx);
- // add the diffusive fluxes only to the component mass balance
- if (replaceCompEqIdx != contiWEqIdx)
- flux[contiWEqIdx] += tmp * FluidSystem::molarMass(wCompIdx);
- if (replaceCompEqIdx != contiNEqIdx)
- flux[contiNEqIdx] -= tmp * FluidSystem::molarMass(nCompIdx);
- }
- }
-
- protected:
- void evalPhaseStorage_(const int phaseIdx)
- {
- if(useMoles) // mole-fraction formulation
- {
- // evaluate the storage terms of a single phase
- for (int i=0; i < this->fvGeometry_().numScv; i++) {
- PrimaryVariables &storage = this->storageTerm_[i];
- const ElementVolumeVariables &elemVolVars = this->curVolVars_();
- const VolumeVariables &volVars = elemVolVars[i];
-
- // compute storage term of all components within all phases
- storage = 0;
- for (int compIdx = 0; compIdx < numComponents; ++compIdx)
- {
- int eqIdx = (compIdx == wCompIdx) ? contiWEqIdx : contiNEqIdx;
- storage[eqIdx] += volVars.molarDensity(phaseIdx)
- * volVars.saturation(phaseIdx)
- * volVars.moleFraction(phaseIdx, compIdx);
- }
-
- storage *= volVars.porosity();
- storage *= this->fvGeometry_().subContVol[i].volume;
- }
- }
- else // mass-fraction formulation
- {
- // evaluate the storage terms of a single phase
- for (int i=0; i < this->fvGeometry_().numScv; i++) {
- PrimaryVariables &storage = this->storageTerm_[i];
- const ElementVolumeVariables &elemVolVars = this->curVolVars_();
- const VolumeVariables &volVars = elemVolVars[i];
-
- // compute storage term of all components within all phases
- storage = 0;
- for (int compIdx = 0; compIdx < numComponents; ++compIdx)
- {
- int eqIdx = (compIdx == wCompIdx) ? contiWEqIdx : contiNEqIdx;
- storage[eqIdx] += volVars.density(phaseIdx)
- * volVars.saturation(phaseIdx)
- * volVars.massFraction(phaseIdx, compIdx);
- }
-
- storage *= volVars.porosity();
- storage *= this->fvGeometry_().subContVol[i].volume;
- }
- }
- }
-
- /*!
- * \brief Returns the equation index of the first mass-balance equation
- * of the component (used for loops)
- *
- * Returns the equation index of the first mass-balance equation
- * of the component (used for loops) if one component mass balance
- * is replaced by the total mass balance, this is the index
- * of the remaining component mass-balance equation.
- */
- unsigned int contiCompIdx1_() const {
- switch (replaceCompEqIdx)
- {
- case contiWEqIdx: return contiNEqIdx;
- case contiNEqIdx: return contiWEqIdx;
- default: return 0;
- }
- }
-
- /*!
- * \brief Returns the equation index of the second mass balance
- * of the component (used for loops)
- *
- * Returns the equation index of the second mass balance
- * of the component (used for loops)
- * if one component mass balance is replaced by the total mass balance
- * (replaceCompEqIdx < 2), this index is the same as contiCompIdx1().
- */
- unsigned int contiCompIdx2_() const {
- switch (replaceCompEqIdx)
- {
- case contiWEqIdx: return contiNEqIdx;
- case contiNEqIdx: return contiWEqIdx;
- default: return numComponents-1;
- }
- }
-
- Implementation *asImp_()
- { return static_cast<Implementation *> (this); }
- const Implementation *asImp_() const
- { return static_cast<const Implementation *> (this); }
-
- private:
- Scalar massUpwindWeight_;
-};
-
-} // end namespace
+#include <dumux/porousmediumflow/2p2c/implicit/localresidual.hh>
#endif
diff --git a/dumux/implicit/2p2c/2p2cmodel.hh b/dumux/implicit/2p2c/2p2cmodel.hh
index 552fd4092c..bf4ab0d68c 100644
--- a/dumux/implicit/2p2c/2p2cmodel.hh
+++ b/dumux/implicit/2p2c/2p2cmodel.hh
@@ -1,725 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \file
- *
- * \brief Adaption of the fully implicit scheme to the
- * two-phase two-component fully implicit model.
- */
-#ifndef DUMUX_2P2C_MODEL_HH
-#define DUMUX_2P2C_MODEL_HH
+#ifndef DUMUX_2P2C_MODEL_HH_OLD
+#define DUMUX_2P2C_MODEL_HH_OLD
-#include "2p2cproperties.hh"
-#include "2p2cindices.hh"
-#include <dumux/porousmediumflow/implicit/velocityoutput.hh>
+#warning this header is deprecated, use dumux/porousmediumflow/2p2c/implicit/model.hh instead
-namespace Dumux
-{
-/*!
- * \ingroup TwoPTwoCModel
- * \brief Adaption of the fully implicit scheme to the
- * two-phase two-component fully implicit model.
- *
- * This model implements two-phase two-component flow of two compressible and
- * partially miscible fluids \f$\alpha \in \{ w, n \}\f$ composed of the two components
- * \f$\kappa \in \{ w, a \}\f$. The standard multiphase Darcy
- * approach is used as the equation for the conservation of momentum:
- * \f[
- v_\alpha = - \frac{k_{r\alpha}}{\mu_\alpha} \mathbf{K}
- \left(\textbf{grad}\, p_\alpha - \varrho_{\alpha} \mbox{\bf g} \right)
- * \f]
- *
- * By inserting this into the equations for the conservation of the
- * components, one gets one transport equation for each component
- * \f{eqnarray*}
- && \phi \frac{\partial (\sum_\alpha \varrho_\alpha \frac{M^\kappa}{M_\alpha} x_\alpha^\kappa S_\alpha )}
- {\partial t}
- - \sum_\alpha \text{div} \left\{ \varrho_\alpha \frac{M^\kappa}{M_\alpha} x_\alpha^\kappa
- \frac{k_{r\alpha}}{\mu_\alpha} \mathbf{K}
- (\textbf{grad}\, p_\alpha - \varrho_{\alpha} \mbox{\bf g}) \right\}
- \nonumber \\ \nonumber \\
- &-& \sum_\alpha \text{div} \left\{ D_{\alpha,\text{pm}}^\kappa \varrho_{\alpha} \frac{M^\kappa}{M_\alpha}
- \textbf{grad} x^\kappa_{\alpha} \right\}
- - \sum_\alpha q_\alpha^\kappa = 0 \qquad \kappa \in \{w, a\} \, ,
- \alpha \in \{w, g\}
- \f}
- *
- * All equations are discretized using a vertex-centered finite volume (box)
- * or cell-centered finite volume scheme as spatial
- * and the implicit Euler method as time discretization.
- *
- * By using constitutive relations for the capillary pressure \f$p_c =
- * p_n - p_w\f$ and relative permeability \f$k_{r\alpha}\f$ and taking
- * advantage of the fact that \f$S_w + S_n = 1\f$ and \f$x^\kappa_w + x^\kappa_n = 1\f$, the number of
- * unknowns can be reduced to two.
- * The used primary variables are, like in the two-phase model, either \f$p_w\f$ and \f$S_n\f$
- * or \f$p_n\f$ and \f$S_w\f$. The formulation which ought to be used can be
- * specified by setting the <tt>Formulation</tt> property to either
- * TwoPTwoCIndices::pWsN or TwoPTwoCIndices::pNsW. By
- * default, the model uses \f$p_w\f$ and \f$S_n\f$.
- * Moreover, the second primary variable depends on the phase state, since a
- * primary variable switch is included. The phase state is stored for all nodes
- * of the system.
- * The model is able to use either mole or mass fractions. The property useMoles can be set to either true or false in the
- * problem file. Make sure that the according units are used in the problem setup. useMoles is set to true by default.
- * Following cases can be distinguished:
- * <ul>
- * <li> Both phases are present: The saturation is used (either \f$S_n\f$ or \f$S_w\f$, dependent on the chosen <tt>Formulation</tt>),
- * as long as \f$ 0 < S_\alpha < 1\f$</li>.
- * <li> Only wetting phase is present: The mole fraction of, e.g., air in the wetting phase \f$x^a_w\f$ is used,
- * as long as the maximum mole fraction is not exceeded \f$(x^a_w<x^a_{w,max})\f$</li>
- * <li> Only non-wetting phase is present: The mole fraction of, e.g., water in the non-wetting phase, \f$x^w_n\f$, is used,
- * as long as the maximum mole fraction is not exceeded \f$(x^w_n<x^w_{n,max})\f$</li>
- * </ul>
- */
-
-template<class TypeTag>
-class TwoPTwoCModel: public GET_PROP_TYPE(TypeTag, BaseModel)
-{
- typedef typename GET_PROP_TYPE(TypeTag, BaseModel) ParentType;
-
- typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
- typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
- typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
- typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
- typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
- typedef typename GET_PROP_TYPE(TypeTag, SolutionVector) SolutionVector;
- enum {
- numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
- numComponents = GET_PROP_VALUE(TypeTag, NumComponents)
- };
-
- typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
- enum {
- switchIdx = Indices::switchIdx,
-
- wPhaseIdx = Indices::wPhaseIdx,
- nPhaseIdx = Indices::nPhaseIdx,
- wCompIdx = Indices::wCompIdx,
- nCompIdx = Indices::nCompIdx,
-
- wPhaseOnly = Indices::wPhaseOnly,
- nPhaseOnly = Indices::nPhaseOnly,
- bothPhases = Indices::bothPhases,
-
- pwsn = TwoPTwoCFormulation::pwsn,
- pnsw = TwoPTwoCFormulation::pnsw,
- formulation = GET_PROP_VALUE(TypeTag, Formulation)
- };
-
- typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
- enum {
- dim = GridView::dimension,
- dimWorld = GridView::dimensionworld
- };
-
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef Dune::FieldVector<Scalar, dimWorld> GlobalPosition;
- static const bool useMoles = GET_PROP_VALUE(TypeTag, UseMoles);
-
- enum { isBox = GET_PROP_VALUE(TypeTag, ImplicitIsBox) };
- enum { dofCodim = isBox ? dim : 0 };
-
-public:
- /*!
- * \brief Initialize the static data with the initial solution.
- *
- * \param problem The problem to be solved
- */
- void init(Problem &problem)
- {
- ParentType::init(problem);
-
- unsigned numDofs = this->numDofs();
-
- staticDat_.resize(numDofs);
-
- setSwitched_(false);
-
- // check, if velocity output can be used (works only for cubes so far)
- for (const auto& element : Dune::elements(this->gridView_()))
- {
- if (!isBox) // i.e. cell-centered discretization
- {
- int eIdxGlobal = this->dofMapper().index(element);
- const GlobalPosition &globalPos = element.geometry().center();
-
- // initialize phase presence
- staticDat_[eIdxGlobal].phasePresence
- = this->problem_().initialPhasePresence(*(this->gridView_().template begin<dim>()),
- eIdxGlobal, globalPos);
- staticDat_[eIdxGlobal].wasSwitched = false;
-
- staticDat_[eIdxGlobal].oldPhasePresence
- = staticDat_[eIdxGlobal].phasePresence;
- }
- }
-
- if (isBox) // i.e. vertex-centered discretization
- {
- for (const auto& vertex : Dune::vertices(this->gridView_()))
- {
- int vIdxGlobal = this->dofMapper().index(vertex);
- const GlobalPosition &globalPos = vertex.geometry().corner(0);
-
- // initialize phase presence
- staticDat_[vIdxGlobal].phasePresence
- = this->problem_().initialPhasePresence(vertex, vIdxGlobal,
- globalPos);
- staticDat_[vIdxGlobal].wasSwitched = false;
-
- staticDat_[vIdxGlobal].oldPhasePresence
- = staticDat_[vIdxGlobal].phasePresence;
- }
- }
- }
-
- /*!
- * \brief Compute the total storage of all conservation quantities in one phase
- *
- * \param storage Contains the storage of each component in one phase
- * \param phaseIdx The phase index
- */
- void globalPhaseStorage(PrimaryVariables &storage, const int phaseIdx)
- {
- storage = 0;
-
- for (const auto& element : Dune::elements(this->gridView_())) {
- if(element.partitionType() == Dune::InteriorEntity)
- {
-
-
- this->localResidual().evalPhaseStorage(element, phaseIdx);
-
- for (unsigned int i = 0; i < this->localResidual().storageTerm().size(); ++i)
- storage += this->localResidual().storageTerm()[i];
- }
- }
- if (this->gridView_().comm().size() > 1)
- storage = this->gridView_().comm().sum(storage);
- }
-
- /*!
- * \brief Called by the update() method if applying the Newton
- * method was unsuccessful.
- */
- void updateFailed()
- {
- ParentType::updateFailed();
-
- setSwitched_(false);
- resetPhasePresence_();
- }
-
- /*!
- * \brief Called by the problem if a time integration was
- * successful, post processing of the solution is done and the
- * result has been written to disk.
- *
- * This should prepare the model for the next time integration.
- */
- void advanceTimeLevel()
- {
- ParentType::advanceTimeLevel();
-
- // update the phase state
- updateOldPhasePresence_();
- setSwitched_(false);
- }
-
- /*!
- * \brief Returns true if the primary variables were switched for
- * at least one vertex after the last timestep.
- */
- bool switched() const
- {
- return switchFlag_;
- }
-
- /*!
- * \brief Returns the phase presence of the current or the old solution of a degree of freedom.
- *
- * \param dofIdxGlobal The global index of the degree of freedom
- * \param oldSol Based on oldSol current or previous time step is used
- */
- int phasePresence(int dofIdxGlobal, bool oldSol) const
- {
- return oldSol ? staticDat_[dofIdxGlobal].oldPhasePresence
- : staticDat_[dofIdxGlobal].phasePresence;
- }
-
- /*!
- * \brief Append all quantities of interest which can be derived
- * from the solution of the current time step to the VTK
- * writer.
- *
- * \param sol The solution vector
- * \param writer The writer for multi-file VTK datasets
- */
- template<class MultiWriter>
- void addOutputVtkFields(const SolutionVector &sol,
- MultiWriter &writer)
- {
- typedef Dune::BlockVector<Dune::FieldVector<double, 1> > ScalarField;
- typedef Dune::BlockVector<Dune::FieldVector<double, dimWorld> > VectorField;
-
- // get the number of degrees of freedom
- unsigned numDofs = this->numDofs();
-
- // create the required scalar fields
- ScalarField *sN = writer.allocateManagedBuffer(numDofs);
- ScalarField *sW = writer.allocateManagedBuffer(numDofs);
- ScalarField *pn = writer.allocateManagedBuffer(numDofs);
- ScalarField *pw = writer.allocateManagedBuffer(numDofs);
- ScalarField *pc = writer.allocateManagedBuffer(numDofs);
- ScalarField *rhoW = writer.allocateManagedBuffer(numDofs);
- ScalarField *rhoN = writer.allocateManagedBuffer(numDofs);
- ScalarField *mobW = writer.allocateManagedBuffer(numDofs);
- ScalarField *mobN = writer.allocateManagedBuffer(numDofs);
- ScalarField *phasePresence = writer.allocateManagedBuffer(numDofs);
- ScalarField *massFrac[numPhases][numComponents];
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- for (int compIdx = 0; compIdx < numComponents; ++compIdx)
- massFrac[phaseIdx][compIdx] = writer.allocateManagedBuffer(numDofs);
- ScalarField *moleFrac[numPhases][numComponents];
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- for (int compIdx = 0; compIdx < numComponents; ++compIdx)
- moleFrac[phaseIdx][compIdx] = writer.allocateManagedBuffer(numDofs);
- ScalarField *temperature = writer.allocateManagedBuffer(numDofs);
- ScalarField *poro = writer.allocateManagedBuffer(numDofs);
- VectorField *velocityN = writer.template allocateManagedBuffer<double, dimWorld>(numDofs);
- VectorField *velocityW = writer.template allocateManagedBuffer<double, dimWorld>(numDofs);
- ImplicitVelocityOutput<TypeTag> velocityOutput(this->problem_());
-
- if (velocityOutput.enableOutput()) // check if velocity output is demanded
- {
- // initialize velocity fields
- for (unsigned int i = 0; i < numDofs; ++i)
- {
- (*velocityN)[i] = Scalar(0);
- (*velocityW)[i] = Scalar(0);
- }
- }
-
- unsigned numElements = this->gridView_().size(0);
- ScalarField *rank = writer.allocateManagedBuffer(numElements);
-
- for (const auto& element : Dune::elements(this->gridView_()))
- {
- if(element.partitionType() == Dune::InteriorEntity)
- {
- int eIdx = this->elementMapper().index(element);
- (*rank)[eIdx] = this->gridView_().comm().rank();
-
- FVElementGeometry fvGeometry;
- fvGeometry.update(this->gridView_(), element);
-
- ElementVolumeVariables elemVolVars;
- elemVolVars.update(this->problem_(),
- element,
- fvGeometry,
- false /* oldSol? */);
-
- for (int scvIdx = 0; scvIdx < fvGeometry.numScv; ++scvIdx)
- {
- int dofIdxGlobal = this->dofMapper().subIndex(element, scvIdx, dofCodim);
-
- (*sN)[dofIdxGlobal] = elemVolVars[scvIdx].saturation(nPhaseIdx);
- (*sW)[dofIdxGlobal] = elemVolVars[scvIdx].saturation(wPhaseIdx);
- (*pn)[dofIdxGlobal] = elemVolVars[scvIdx].pressure(nPhaseIdx);
- (*pw)[dofIdxGlobal] = elemVolVars[scvIdx].pressure(wPhaseIdx);
- (*pc)[dofIdxGlobal] = elemVolVars[scvIdx].capillaryPressure();
- (*rhoW)[dofIdxGlobal] = elemVolVars[scvIdx].density(wPhaseIdx);
- (*rhoN)[dofIdxGlobal] = elemVolVars[scvIdx].density(nPhaseIdx);
- (*mobW)[dofIdxGlobal] = elemVolVars[scvIdx].mobility(wPhaseIdx);
- (*mobN)[dofIdxGlobal] = elemVolVars[scvIdx].mobility(nPhaseIdx);
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- for (int compIdx = 0; compIdx < numComponents; ++compIdx)
- {
- (*massFrac[phaseIdx][compIdx])[dofIdxGlobal]
- = elemVolVars[scvIdx].massFraction(phaseIdx, compIdx);
-
- Valgrind::CheckDefined((*massFrac[phaseIdx][compIdx])[dofIdxGlobal][0]);
- }
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- for (int compIdx = 0; compIdx < numComponents; ++compIdx)
- {
- (*moleFrac[phaseIdx][compIdx])[dofIdxGlobal]
- = elemVolVars[scvIdx].moleFraction(phaseIdx, compIdx);
-
- Valgrind::CheckDefined((*moleFrac[phaseIdx][compIdx])[dofIdxGlobal][0]);
- }
- (*poro)[dofIdxGlobal] = elemVolVars[scvIdx].porosity();
- (*temperature)[dofIdxGlobal] = elemVolVars[scvIdx].temperature();
- (*phasePresence)[dofIdxGlobal]
- = staticDat_[dofIdxGlobal].phasePresence;
- }
-
- // velocity output
- velocityOutput.calculateVelocity(*velocityW, elemVolVars, fvGeometry, element, wPhaseIdx);
- velocityOutput.calculateVelocity(*velocityN, elemVolVars, fvGeometry, element, nPhaseIdx);
- }
-
- } // loop over elements
-
- writer.attachDofData(*sN, "Sn", isBox);
- writer.attachDofData(*sW, "Sw", isBox);
- writer.attachDofData(*pn, "pn", isBox);
- writer.attachDofData(*pw, "pw", isBox);
- writer.attachDofData(*pc, "pc", isBox);
- writer.attachDofData(*rhoW, "rhoW", isBox);
- writer.attachDofData(*rhoN, "rhoN", isBox);
- writer.attachDofData(*mobW, "mobW", isBox);
- writer.attachDofData(*mobN, "mobN", isBox);
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- {
- for (int compIdx = 0; compIdx < numComponents; ++compIdx)
- {
- std::ostringstream oss;
- oss << "X_" << FluidSystem::phaseName(phaseIdx) << "^" << FluidSystem::componentName(compIdx);
- writer.attachDofData(*massFrac[phaseIdx][compIdx], oss.str(), isBox);
- }
- }
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- {
- for (int compIdx = 0; compIdx < numComponents; ++compIdx)
- {
- std::ostringstream oss;
- oss << "x_" << FluidSystem::phaseName(phaseIdx) << "^" << FluidSystem::componentName(compIdx);
- writer.attachDofData(*moleFrac[phaseIdx][compIdx], oss.str(), isBox);
- }
- }
- writer.attachDofData(*poro, "porosity", isBox);
- writer.attachDofData(*temperature, "temperature", isBox);
- writer.attachDofData(*phasePresence, "phase presence", isBox);
-
- if (velocityOutput.enableOutput()) // check if velocity output is demanded
- {
- writer.attachDofData(*velocityW, "velocityW", isBox, dim);
- writer.attachDofData(*velocityN, "velocityN", isBox, dim);
- }
-
- writer.attachCellData(*rank, "process rank");
- }
-
- /*!
- * \brief Write the current solution to a restart file.
- *
- * \param outStream The output stream of one vertex for the restart file
- * \param entity The entity, either a vertex or an element
- */
- template<class Entity>
- void serializeEntity(std::ostream &outStream, const Entity &entity)
- {
- // write primary variables
- ParentType::serializeEntity(outStream, entity);
-
- int dofIdxGlobal = this->dofMapper().index(entity);
-
- if (!outStream.good())
- DUNE_THROW(Dune::IOError, "Could not serialize entity " << dofIdxGlobal);
-
- outStream << staticDat_[dofIdxGlobal].phasePresence << " ";
- }
-
- /*!
- * \brief Reads the current solution from a restart file.
- *
- * \param inStream The input stream of one vertex from the restart file
- * \param entity The entity, either a vertex or an element
- */
- template<class Entity>
- void deserializeEntity(std::istream &inStream, const Entity &entity)
- {
- // read primary variables
- ParentType::deserializeEntity(inStream, entity);
-
- // read phase presence
- int dofIdxGlobal = this->dofMapper().index(entity);
-
- if (!inStream.good())
- DUNE_THROW(Dune::IOError,
- "Could not deserialize entity " << dofIdxGlobal);
-
- inStream >> staticDat_[dofIdxGlobal].phasePresence;
- staticDat_[dofIdxGlobal].oldPhasePresence
- = staticDat_[dofIdxGlobal].phasePresence;
-
- }
-
- /*!
- * \brief Update the static data of all vertices in the grid.
- *
- * \param curGlobalSol The current global solution
- * \param oldGlobalSol The previous global solution
- */
- void updateStaticData(SolutionVector &curGlobalSol,
- const SolutionVector &oldGlobalSol)
- {
- bool wasSwitched = false;
- int succeeded;
- try {
- for (unsigned i = 0; i < staticDat_.size(); ++i)
- staticDat_[i].visited = false;
-
- FVElementGeometry fvGeometry;
- static VolumeVariables volVars;
- for (const auto& element : Dune::elements(this->gridView_()))
- {
- fvGeometry.update(this->gridView_(), element);
- for (int scvIdx = 0; scvIdx < fvGeometry.numScv; ++scvIdx)
- {
- int dofIdxGlobal = this->dofMapper().subIndex(element, scvIdx, dofCodim);
-
- if (staticDat_[dofIdxGlobal].visited)
- continue;
-
- staticDat_[dofIdxGlobal].visited = true;
- volVars.update(curGlobalSol[dofIdxGlobal],
- this->problem_(),
- element,
- fvGeometry,
- scvIdx,
- false);
- const GlobalPosition &globalPos = fvGeometry.subContVol[scvIdx].global;
- if (primaryVarSwitch_(curGlobalSol,
- volVars,
- dofIdxGlobal,
- globalPos))
- {
- this->jacobianAssembler().markDofRed(dofIdxGlobal);
- wasSwitched = true;
- }
- }
- }
- succeeded = 1;
- }
- catch (Dumux::NumericalProblem &e)
- {
- std::cout << "\n"
- << "Rank " << this->problem_().gridView().comm().rank()
- << " caught an exception while updating the static data." << e.what()
- << "\n";
- succeeded = 0;
- }
- //make sure that all processes succeeded. If not throw a NumericalProblem to decrease the time step size.
- if (this->gridView_().comm().size() > 1)
- succeeded = this->gridView_().comm().min(succeeded);
-
- if (!succeeded) {
- DUNE_THROW(NumericalProblem,
- "A process did not succeed in updating the static data.");
- return;
- }
-
- // make sure that if there was a variable switch in an
- // other partition we will also set the switch flag
- // for our partition.
- if (this->gridView_().comm().size() > 1)
- wasSwitched = this->gridView_().comm().max(wasSwitched);
-
- setSwitched_(wasSwitched);
- }
-
- protected:
- /*!
- * \brief Data which is attached to each vertex and is not only
- * stored locally.
- */
- struct StaticVars
- {
- int phasePresence;
- bool wasSwitched;
-
- int oldPhasePresence;
- bool visited;
- };
-
- /*!
- * \brief Resets the current phase presence of all vertices to the old one.
- *
- * This is done after an update failed.
- */
- void resetPhasePresence_()
- {
- for (unsigned int idx = 0; idx < staticDat_.size(); ++idx)
- {
- staticDat_[idx].phasePresence
- = staticDat_[idx].oldPhasePresence;
- staticDat_[idx].wasSwitched = false;
- }
- }
-
- /*!
- * \brief Sets the phase presence of all vertices state to the current one.
- */
- void updateOldPhasePresence_()
- {
- for (unsigned int idx = 0; idx < staticDat_.size(); ++idx)
- {
- staticDat_[idx].oldPhasePresence
- = staticDat_[idx].phasePresence;
- staticDat_[idx].wasSwitched = false;
- }
- }
-
- /*!
- * \brief Sets whether there was a primary variable switch after
- * the last timestep.
- */
- void setSwitched_(bool yesno)
- {
- switchFlag_ = yesno;
- }
-
- /*!
- * \brief Performs variable switch at a vertex, returns true if a
- * variable switch was performed.
- */
- bool primaryVarSwitch_(SolutionVector &globalSol,
- const VolumeVariables &volVars,
- int dofIdxGlobal,
- const GlobalPosition &globalPos)
- {
- // evaluate primary variable switch
- bool wouldSwitch = false;
- int phasePresence = staticDat_[dofIdxGlobal].phasePresence;
- int newPhasePresence = phasePresence;
-
- // check if a primary var switch is necessary
- if (phasePresence == nPhaseOnly)
- {
- // calculate mole fraction in the hypothetic wetting phase
- Scalar xww = volVars.moleFraction(wPhaseIdx, wCompIdx);
- Scalar xwn = volVars.moleFraction(wPhaseIdx, nCompIdx);
-
- Scalar xwMax = 1.0;
- if (xww + xwn > xwMax)
- wouldSwitch = true;
- if (staticDat_[dofIdxGlobal].wasSwitched)
- xwMax *= 1.02;
-
- // if the sum of the mole fractions is larger than
- // 100%, wetting phase appears
- if (xww + xwn > xwMax)
- {
- // wetting phase appears
- std::cout << "wetting phase appears at vertex " << dofIdxGlobal
- << ", coordinates: " << globalPos << ", xww + xwn: "
- << xww + xwn << std::endl;
- newPhasePresence = bothPhases;
- if (formulation == pnsw)
- globalSol[dofIdxGlobal][switchIdx] = 0.0;
- else if (formulation == pwsn)
- globalSol[dofIdxGlobal][switchIdx] = 1.0;
- }
- }
- else if (phasePresence == wPhaseOnly)
- {
- // calculate fractions of the partial pressures in the
- // hypothetic nonwetting phase
- Scalar xnw = volVars.moleFraction(nPhaseIdx, wCompIdx);
- Scalar xnn = volVars.moleFraction(nPhaseIdx, nCompIdx);
-
- Scalar xgMax = 1.0;
- if (xnw + xnn > xgMax)
- wouldSwitch = true;
- if (staticDat_[dofIdxGlobal].wasSwitched)
- xgMax *= 1.02;
-
- // if the sum of the mole fractions is larger than
- // 100%, nonwetting phase appears
- if (xnw + xnn > xgMax)
- {
- // nonwetting phase appears
- std::cout << "nonwetting phase appears at vertex " << dofIdxGlobal
- << ", coordinates: " << globalPos << ", xnw + xnn: "
- << xnw + xnn << std::endl;
- newPhasePresence = bothPhases;
- if (formulation == pnsw)
- globalSol[dofIdxGlobal][switchIdx] = 0.999;
- else if (formulation == pwsn)
- globalSol[dofIdxGlobal][switchIdx] = 0.001;
- }
- }
- else if (phasePresence == bothPhases)
- {
- Scalar Smin = 0.0;
- if (staticDat_[dofIdxGlobal].wasSwitched)
- Smin = -0.01;
-
- if (volVars.saturation(nPhaseIdx) <= Smin)
- {
- wouldSwitch = true;
- // nonwetting phase disappears
- std::cout << "Nonwetting phase disappears at vertex " << dofIdxGlobal
- << ", coordinates: " << globalPos << ", sn: "
- << volVars.saturation(nPhaseIdx) << std::endl;
- newPhasePresence = wPhaseOnly;
-
- if(useMoles) // mole-fraction formulation
- {
- globalSol[dofIdxGlobal][switchIdx]
- = volVars.moleFraction(wPhaseIdx, nCompIdx);
- }
- else // mass-fraction formulation
- {
- globalSol[dofIdxGlobal][switchIdx]
- = volVars.massFraction(wPhaseIdx, nCompIdx);
- }
- }
- else if (volVars.saturation(wPhaseIdx) <= Smin)
- {
- wouldSwitch = true;
- // wetting phase disappears
- std::cout << "Wetting phase disappears at vertex " << dofIdxGlobal
- << ", coordinates: " << globalPos << ", sw: "
- << volVars.saturation(wPhaseIdx) << std::endl;
- newPhasePresence = nPhaseOnly;
-
- if(useMoles) // mole-fraction formulation
- {
- globalSol[dofIdxGlobal][switchIdx]
- = volVars.moleFraction(nPhaseIdx, wCompIdx);
- }
- else // mass-fraction formulation
- {
- globalSol[dofIdxGlobal][switchIdx]
- = volVars.massFraction(nPhaseIdx, wCompIdx);
- }
- }
- }
-
- staticDat_[dofIdxGlobal].phasePresence = newPhasePresence;
- staticDat_[dofIdxGlobal].wasSwitched = wouldSwitch;
- return phasePresence != newPhasePresence;
- }
-
-protected:
- // parameters given in constructor
- std::vector<StaticVars> staticDat_;
- bool switchFlag_;
-};
-
-}
-
-#include "2p2cpropertydefaults.hh"
+#include <dumux/porousmediumflow/2p2c/implicit/model.hh>
#endif
diff --git a/dumux/implicit/2p2c/2p2cnewtoncontroller.hh b/dumux/implicit/2p2c/2p2cnewtoncontroller.hh
index 782fee3b7b..a07f5ac55c 100644
--- a/dumux/implicit/2p2c/2p2cnewtoncontroller.hh
+++ b/dumux/implicit/2p2c/2p2cnewtoncontroller.hh
@@ -1,104 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \file
- * \brief A two-phase two-component specific controller for the Newton solver.
- */
-#ifndef DUMUX_2P2C_NEWTON_CONTROLLER_HH
-#define DUMUX_2P2C_NEWTON_CONTROLLER_HH
+#ifndef DUMUX_2P2C_NEWTON_CONTROLLER_HH_OLD
+#define DUMUX_2P2C_NEWTON_CONTROLLER_HH_OLD
-#include "2p2cproperties.hh"
+#warning this header is deprecated, use dumux/porousmediumflow/2p2c/implicit/newtoncontroller.hh instead
-#include <dumux/nonlinear/newtoncontroller.hh>
-
-namespace Dumux {
-
-/*!
- * \ingroup Newton
- * \ingroup TwoPTwoCModel
- * \brief A two-phase two-component specific controller for the Newton solver.
- *
- * This controller 'knows' what a 'physically meaningful' solution is
- * which allows the Newton method to abort earlier if the solution is
- * way out of bounds.
- */
-template <class TypeTag>
-class TwoPTwoCNewtonController : public NewtonController<TypeTag>
-{
- typedef NewtonController<TypeTag> ParentType;
- typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
- typedef typename GET_PROP_TYPE(TypeTag, SolutionVector) SolutionVector;
-
-public:
- TwoPTwoCNewtonController(const Problem &problem)
- : ParentType(problem)
- {}
-
- /*!
- * \brief Suggest a new time step size based either on the number of Newton
- * iterations required or on the variable switch
- *
- * \param uCurrentIter The current global solution vector
- * \param uLastIter The previous global solution vector
- *
- */
- void newtonEndStep(SolutionVector &uCurrentIter,
- const SolutionVector &uLastIter)
- {
- int succeeded;
- try {
- // call the method of the base class
- this->method().model().updateStaticData(uCurrentIter, uLastIter);
- ParentType::newtonEndStep(uCurrentIter, uLastIter);
-
- succeeded = 1;
- if (this->gridView_().comm().size() > 1)
- succeeded = this->gridView_().comm().min(succeeded);
- }
- catch (Dumux::NumericalProblem &e)
- {
- std::cout << "rank " << this->problem_().gridView().comm().rank()
- << " caught an exception while updating:" << e.what()
- << "\n";
- succeeded = 0;
- if (this->gridView_().comm().size() > 1)
- succeeded = this->gridView_().comm().min(succeeded);
- }
-
- if (!succeeded) {
- DUNE_THROW(NumericalProblem,
- "A process did not succeed in linearizing the system");
- }
- }
-
- /*!
- * \brief Returns true if the current solution can be considered to
- * be accurate enough
- */
- bool newtonConverged()
- {
- if (this->method().model().switched())
- return false;
-
- return ParentType::newtonConverged();
- }
-};
-}
+#include <dumux/porousmediumflow/2p2c/implicit/newtoncontroller.hh>
#endif
diff --git a/dumux/implicit/2p2c/2p2cproperties.hh b/dumux/implicit/2p2c/2p2cproperties.hh
index 1d0a6811bd..dae800ae1b 100644
--- a/dumux/implicit/2p2c/2p2cproperties.hh
+++ b/dumux/implicit/2p2c/2p2cproperties.hh
@@ -1,85 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \ingroup Properties
- * \ingroup ImplicitProperties
- * \ingroup TwoPTwoCModel
- *
- * \file
- *
- * \brief Defines the properties required for the two-phase two-component
- * fully implicit model.
- */
-#ifndef DUMUX_2P2C_PROPERTIES_HH
-#define DUMUX_2P2C_PROPERTIES_HH
+#ifndef DUMUX_2P2C_PROPERTIES_HH_OLD
+#define DUMUX_2P2C_PROPERTIES_HH_OLD
-#include <dumux/implicit/box/properties.hh>
-#include <dumux/implicit/cellcentered/properties.hh>
-#include<dumux/porousmediumflow/nonisothermal/implicit/properties.hh>
+#warning this header is deprecated, use dumux/porousmediumflow/2p2c/implicit/properties.hh instead
-namespace Dumux
-{
-
-namespace Properties
-{
-//////////////////////////////////////////////////////////////////
-// Type tags
-//////////////////////////////////////////////////////////////////
-
-//! The type tags for the implicit isothermal two-phase two-component problems
-NEW_TYPE_TAG(TwoPTwoC);
-NEW_TYPE_TAG(BoxTwoPTwoC, INHERITS_FROM(BoxModel, TwoPTwoC));
-NEW_TYPE_TAG(CCTwoPTwoC, INHERITS_FROM(CCModel, TwoPTwoC));
-
-//! The type tags for the corresponding non-isothermal problems
-NEW_TYPE_TAG(TwoPTwoCNI, INHERITS_FROM(TwoPTwoC, NonIsothermal));
-NEW_TYPE_TAG(BoxTwoPTwoCNI, INHERITS_FROM(BoxModel, TwoPTwoCNI));
-NEW_TYPE_TAG(CCTwoPTwoCNI, INHERITS_FROM(CCModel, TwoPTwoCNI));
-
-//////////////////////////////////////////////////////////////////
-// Property tags
-//////////////////////////////////////////////////////////////////
-
-NEW_PROP_TAG(NumPhases); //!< Number of fluid phases in the system
-NEW_PROP_TAG(NumComponents); //!< Number of fluid components in the system
-NEW_PROP_TAG(Indices); //!< Enumerations for the model
-NEW_PROP_TAG(Formulation); //!< The formulation of the model
-NEW_PROP_TAG(SpatialParams); //!< The type of the spatial parameters
-NEW_PROP_TAG(FluidSystem); //!< The type of the multi-component relations
-NEW_PROP_TAG(FluidState); //!< The type of the 2p2c fluid state
-
-NEW_PROP_TAG(MaterialLaw); //!< The material law which ought to be used (extracted from the spatial parameters)
-NEW_PROP_TAG(MaterialLawParams); //!< The parameters of the material law (extracted from the spatial parameters)
-NEW_PROP_TAG(EffectiveDiffusivityModel); //!< The employed model for the computation of the effective diffusivity
-
-NEW_PROP_TAG(ProblemEnableGravity); //!< Returns whether gravity is considered in the problem
-NEW_PROP_TAG(UseMoles); //!< Defines whether mole (true) or mass (false) fractions are used
-NEW_PROP_TAG(UseConstraintSolver); //!< Determines whether the constraint solver should be used
-
-NEW_PROP_TAG(ImplicitMassUpwindWeight); //!< The value of the upwind weight for the mass conservation equations
-NEW_PROP_TAG(ImplicitMobilityUpwindWeight); //!< Weight for the upwind mobility in the velocity calculation
-NEW_PROP_TAG(ReplaceCompEqIdx); //!< The index of the total mass balance equation,
- //!< if one component balance is replaced (ReplaceCompEqIdx < NumComponents)
-NEW_PROP_TAG(VtkAddVelocity); //!< Returns whether velocity vectors are written into the VTK output
-NEW_PROP_TAG(BaseFluxVariables); //!< The base flux variables
-NEW_PROP_TAG(SpatialParamsForchCoeff); //!< Property for the forchheimer coefficient
-}
-}
+#include <dumux/porousmediumflow/2p2c/implicit/properties.hh>
#endif
diff --git a/dumux/implicit/2p2c/2p2cpropertydefaults.hh b/dumux/implicit/2p2c/2p2cpropertydefaults.hh
index e7c1fbe620..bfc725354a 100644
--- a/dumux/implicit/2p2c/2p2cpropertydefaults.hh
+++ b/dumux/implicit/2p2c/2p2cpropertydefaults.hh
@@ -1,232 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \ingroup Properties
- * \ingroup ImplicitProperties
- * \ingroup TwoPTwoCModel
- * \file
- *
- * \brief Defines default values for most properties required by the
- * two-phase two-component fully implicit model.
- */
-#ifndef DUMUX_2P2C_PROPERTY_DEFAULTS_HH
-#define DUMUX_2P2C_PROPERTY_DEFAULTS_HH
+#ifndef DUMUX_2P2C_PROPERTY_DEFAULTS_HH_OLD
+#define DUMUX_2P2C_PROPERTY_DEFAULTS_HH_OLD
-#include "2p2cproperties.hh"
-#include "2p2cmodel.hh"
-#include "2p2cindices.hh"
-#include "2p2cfluxvariables.hh"
-#include "2p2cvolumevariables.hh"
-#include "2p2clocalresidual.hh"
-#include "2p2cnewtoncontroller.hh"
+#warning this header is deprecated, use dumux/porousmediumflow/2p2c/implicit/propertydefaults.hh instead
-#include <dumux/porousmediumflow/nonisothermal/implicit/propertydefaults.hh>
-#include <dumux/material/fluidmatrixinteractions/diffusivitymillingtonquirk.hh>
-#include <dumux/porousmediumflow/implicit/darcyfluxvariables.hh>
-#include <dumux/material/spatialparams/implicitspatialparams.hh>
-#include <dumux/material/fluidmatrixinteractions/2p/thermalconductivitysomerton.hh>
-
-namespace Dumux
-{
-
-namespace Properties {
-//////////////////////////////////////////////////////////////////
-// Property values
-//////////////////////////////////////////////////////////////////
-
-/*!
- * \brief Set the property for the number of components.
- *
- * We just forward the number from the fluid system and use a static
- * assert to make sure it is 2.
- */
-SET_PROP(TwoPTwoC, NumComponents)
-{
- private:
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
-
- public:
- static const int value = FluidSystem::numComponents;
-
- static_assert(value == 2,
- "Only fluid systems with 2 components are supported by the 2p-2c model!");
-};
-
-/*!
- * \brief Set the property for the number of fluid phases.
- *
- * We just forward the number from the fluid system and use a static
- * assert to make sure it is 2.
- */
-SET_PROP(TwoPTwoC, NumPhases)
-{
- private:
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
-
- public:
- static const int value = FluidSystem::numPhases;
- static_assert(value == 2,
- "Only fluid systems with 2 phases are supported by the 2p-2c model!");
-};
-
-/*!
- * \brief The fluid state which is used by the volume variables to
- * store the thermodynamic state. This should be chosen
- * appropriately for the model ((non-)isothermal, equilibrium, ...).
- * This can be done in the problem.
- */
-SET_PROP(TwoPTwoC, FluidState){
- private:
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
- public:
- typedef Dumux::CompositionalFluidState<Scalar, FluidSystem> type;
-};
-
-//! Set the number of equations to 2
-SET_INT_PROP(TwoPTwoC, NumEq, 2);
-
-//! Set the default formulation to pw-sn
-SET_INT_PROP(TwoPTwoC,
- Formulation,
- TwoPTwoCFormulation::pwsn);
-
-//! Set as default that no component mass balance is replaced by the total mass balance
-SET_INT_PROP(TwoPTwoC, ReplaceCompEqIdx, 2);
-
-//! Set the property for the material parameters by extracting it from the material law.
-SET_PROP(TwoPTwoC, MaterialLawParams)
-{
- private:
- typedef typename GET_PROP_TYPE(TypeTag, MaterialLaw) MaterialLaw;
-
- public:
- typedef typename MaterialLaw::Params type;
-};
-
-//! Use the 2p2c local residual operator
-SET_TYPE_PROP(TwoPTwoC,
- LocalResidual,
- TwoPTwoCLocalResidual<TypeTag>);
-
-//! Use the 2p2c Newton controller
-SET_TYPE_PROP(TwoPTwoC, NewtonController, TwoPTwoCNewtonController<TypeTag>);
-
-//! Use the 2p2c model
-SET_TYPE_PROP(TwoPTwoC, Model, TwoPTwoCModel<TypeTag>);
-
-//! Use the 2p2c VolumeVariables
-SET_TYPE_PROP(TwoPTwoC, VolumeVariables, TwoPTwoCVolumeVariables<TypeTag>);
-
-//! Use the 2p2c FluxVariables
-SET_TYPE_PROP(TwoPTwoC, FluxVariables, TwoPTwoCFluxVariables<TypeTag>);
-
-//! Set the BaseFluxVariables to realize Darcy flow
-SET_TYPE_PROP(TwoPTwoC, BaseFluxVariables, ImplicitDarcyFluxVariables<TypeTag>);
-
-//! Set the upwind weight for the mass conservation equations
-SET_SCALAR_PROP(TwoPTwoC, ImplicitMassUpwindWeight, 1.0);
-
-//! Set default mobility upwind weight to 1.0, i.e. fully upwind
-SET_SCALAR_PROP(TwoPTwoC, ImplicitMobilityUpwindWeight, 1.0);
-
-//! Set the indices required by the isothermal 2p2c
-SET_PROP(TwoPTwoC, Indices)
-{ private:
- enum { Formulation = GET_PROP_VALUE(TypeTag, Formulation) };
- public:
- typedef TwoPTwoCIndices<TypeTag, Formulation, 0> type;
-};
-
-//! Use the ImplicitSpatialParams by default
-SET_TYPE_PROP(TwoPTwoC, SpatialParams, ImplicitSpatialParams<TypeTag>);
-
-//! Use the model after Millington (1961) for the effective diffusivity
-SET_PROP(TwoPTwoC, EffectiveDiffusivityModel)
-{ private :
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- public:
- typedef DiffusivityMillingtonQuirk<Scalar> type;
-};
-
-//! Disable velocity output by default
-SET_BOOL_PROP(TwoPTwoC, VtkAddVelocity, false);
-
-//! Enable gravity by default
-SET_BOOL_PROP(TwoPTwoC, ProblemEnableGravity, true);
-
-//! Use mole fractions in the balance equations by default
-SET_BOOL_PROP(TwoPTwoC, UseMoles, true);
-
-//! Determines whether the constraint solver is used
-SET_BOOL_PROP(TwoPTwoC, UseConstraintSolver, true);
-
-//! Set default value for the Forchheimer coefficient
-// Source: Ward, J.C. 1964 Turbulent flow in porous media. ASCE J. Hydraul. Div 90.
-// Actually the Forchheimer coefficient is also a function of the dimensions of the
-// porous medium. Taking it as a constant is only a first approximation
-// (Nield, Bejan, Convection in porous media, 2006, p. 10)
-SET_SCALAR_PROP(TwoPTwoC, SpatialParamsForchCoeff, 0.55);
-
-//! Somerton is used as default model to compute the effective thermal heat conductivity
-SET_PROP(TwoPTwoCNI, ThermalConductivityModel)
-{
-private:
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
-public:
- typedef ThermalConductivitySomerton<Scalar, Indices> type;
-};
-
-//! temperature is already written by the isothermal model
-SET_BOOL_PROP(TwoPTwoCNI, NiOutputLevel, 0);
-
-//////////////////////////////////////////////////////////////////
-// Property values for isothermal model required for the general non-isothermal model
-//////////////////////////////////////////////////////////////////
-
-// set isothermal Model
-SET_TYPE_PROP(TwoPTwoCNI, IsothermalModel, TwoPTwoCModel<TypeTag>);
-
-// set isothermal FluxVariables
-SET_TYPE_PROP(TwoPTwoCNI, IsothermalFluxVariables, TwoPTwoCFluxVariables<TypeTag>);
-
-//set isothermal VolumeVariables
-SET_TYPE_PROP(TwoPTwoCNI, IsothermalVolumeVariables, TwoPTwoCVolumeVariables<TypeTag>);
-
-//set isothermal LocalResidual
-SET_TYPE_PROP(TwoPTwoCNI, IsothermalLocalResidual, TwoPTwoCLocalResidual<TypeTag>);
-
-//set isothermal Indices
-SET_PROP(TwoPTwoCNI, IsothermalIndices)
-{
-private:
- enum { Formulation = GET_PROP_VALUE(TypeTag, Formulation) };
-public:
- typedef TwoPTwoCIndices<TypeTag, Formulation, 0> type;
-};
-
-//set isothermal NumEq
-SET_INT_PROP(TwoPTwoCNI, IsothermalNumEq, 2);
-
-}
-
-}
+#include <dumux/porousmediumflow/2p2c/implicit/propertydefaults.hh>
#endif
diff --git a/dumux/implicit/2p2c/2p2cvolumevariables.hh b/dumux/implicit/2p2c/2p2cvolumevariables.hh
index 65ab5a884f..a71c4a04d6 100644
--- a/dumux/implicit/2p2c/2p2cvolumevariables.hh
+++ b/dumux/implicit/2p2c/2p2cvolumevariables.hh
@@ -1,621 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \file
- *
- * \brief Contains the quantities which are constant within a
- * finite volume in the two-phase two-component model.
- */
-#ifndef DUMUX_2P2C_VOLUME_VARIABLES_HH
-#define DUMUX_2P2C_VOLUME_VARIABLES_HH
+#ifndef DUMUX_2P2C_VOLUME_VARIABLES_HH_OLD
+#define DUMUX_2P2C_VOLUME_VARIABLES_HH_OLD
-#include <dumux/implicit/model.hh>
-#include <dumux/material/fluidstates/compositionalfluidstate.hh>
-#include <dumux/material/constraintsolvers/computefromreferencephase.hh>
-#include <dumux/material/constraintsolvers/misciblemultiphasecomposition.hh>
-#include "2p2cproperties.hh"
-#include "2p2cindices.hh"
+#warning this header is deprecated, use dumux/porousmediumflow/2p2c/implicit/volumevariables.hh instead
-namespace Dumux
-{
-
-/*!
- * \ingroup TwoPTwoCModel
- * \ingroup ImplicitVolumeVariables
- * \brief Contains the quantities which are constant within a
- * finite volume in the two-phase two-component model.
- */
-template <class TypeTag>
-class TwoPTwoCVolumeVariables : public ImplicitVolumeVariables<TypeTag>
-{
- typedef ImplicitVolumeVariables<TypeTag> ParentType;
-
- typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) Implementation;
- typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
- typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
- typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
- typedef typename GET_PROP_TYPE(TypeTag, MaterialLaw) MaterialLaw;
- typedef typename GET_PROP_TYPE(TypeTag, MaterialLawParams) MaterialLawParams;
- enum {
- numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
- numComponents = GET_PROP_VALUE(TypeTag, NumComponents)
- };
-
- typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
- enum {
- wCompIdx = Indices::wCompIdx,
- nCompIdx = Indices::nCompIdx,
- wPhaseIdx = Indices::wPhaseIdx,
- nPhaseIdx = Indices::nPhaseIdx
- };
-
- // present phases
- enum {
- wPhaseOnly = Indices::wPhaseOnly,
- nPhaseOnly = Indices::nPhaseOnly,
- bothPhases = Indices::bothPhases
- };
-
- // formulations
- enum {
- formulation = GET_PROP_VALUE(TypeTag, Formulation),
- pwsn = TwoPTwoCFormulation::pwsn,
- pnsw = TwoPTwoCFormulation::pnsw
- };
-
- // primary variable indices
- enum {
- switchIdx = Indices::switchIdx,
- pressureIdx = Indices::pressureIdx
- };
-
- typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
- typedef typename GridView::template Codim<0>::Entity Element;
- enum { dim = GridView::dimension};
-
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
- typedef Dumux::MiscibleMultiPhaseComposition<Scalar, FluidSystem> MiscibleMultiPhaseComposition;
- static const bool useMoles = GET_PROP_VALUE(TypeTag, UseMoles);
- static const bool useConstraintSolver = GET_PROP_VALUE(TypeTag, UseConstraintSolver);
- static_assert(useMoles || (!useMoles && useConstraintSolver),
- "if UseMoles is set false, UseConstraintSolver has to be set to true");
- typedef Dumux::ComputeFromReferencePhase<Scalar, FluidSystem> ComputeFromReferencePhase;
-
- enum { isBox = GET_PROP_VALUE(TypeTag, ImplicitIsBox) };
- enum { dofCodim = isBox ? dim : 0 };
-
-public:
-
- typedef typename GET_PROP_TYPE(TypeTag, FluidState) FluidState;
-
- /*!
- * \copydoc ImplicitVolumeVariables::update
- */
- void update(const PrimaryVariables &priVars,
- const Problem &problem,
- const Element &element,
- const FVElementGeometry &fvGeometry,
- const int scvIdx,
- const bool isOldSol)
- {
- ParentType::update(priVars,
- problem,
- element,
- fvGeometry,
- scvIdx,
- isOldSol);
-
- completeFluidState(priVars, problem, element, fvGeometry, scvIdx, fluidState_, isOldSol);
-
- /////////////
- // calculate the remaining quantities
- /////////////
- const MaterialLawParams &materialParams =
- problem.spatialParams().materialLawParams(element, fvGeometry, scvIdx);
-
- // Second instance of a parameter cache.
- // Could be avoided if diffusion coefficients also
- // became part of the fluid state.
- typename FluidSystem::ParameterCache paramCache;
- paramCache.updateAll(fluidState_);
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
-
-
- // relative permeabilities
- Scalar kr;
- if (phaseIdx == wPhaseIdx)
- kr = MaterialLaw::krw(materialParams, saturation(wPhaseIdx));
- else // ATTENTION: krn requires the wetting phase saturation
- // as parameter!
- kr = MaterialLaw::krn(materialParams, saturation(wPhaseIdx));
- relativePermeability_[phaseIdx] = kr;
- Valgrind::CheckDefined(relativePermeability_[phaseIdx]);
-
- // binary diffusion coefficients
- diffCoeff_[phaseIdx] =
- FluidSystem::binaryDiffusionCoefficient(fluidState_,
- paramCache,
- phaseIdx,
- wCompIdx,
- nCompIdx);
- Valgrind::CheckDefined(diffCoeff_[phaseIdx]);
- }
-
- // porosity
- porosity_ = problem.spatialParams().porosity(element,
- fvGeometry,
- scvIdx);
- Valgrind::CheckDefined(porosity_);
-
- // energy related quantities not contained in the fluid state
- asImp_().updateEnergy_(priVars, problem, element, fvGeometry, scvIdx, isOldSol);
- }
-
- /*!
- * \copydoc ImplicitModel::completeFluidState
- * \param isOldSol Specifies whether this is the previous solution or the current one
- */
- static void completeFluidState(const PrimaryVariables& priVars,
- const Problem& problem,
- const Element& element,
- const FVElementGeometry& fvGeometry,
- int scvIdx,
- FluidState& fluidState,
- bool isOldSol = false)
- {
- Scalar t = Implementation::temperature_(priVars, problem, element,
- fvGeometry, scvIdx);
- fluidState.setTemperature(t);
- int dofIdxGlobal = problem.model().dofMapper().subIndex(element, scvIdx, dofCodim);
- int phasePresence = problem.model().phasePresence(dofIdxGlobal, isOldSol);
-
- /////////////
- // set the saturations
- /////////////
- Scalar sn;
- if (phasePresence == nPhaseOnly)
- sn = 1.0;
- else if (phasePresence == wPhaseOnly) {
- sn = 0.0;
- }
- else if (phasePresence == bothPhases) {
- if (formulation == pwsn)
- sn = priVars[switchIdx];
- else if (formulation == pnsw)
- sn = 1.0 - priVars[switchIdx];
- else DUNE_THROW(Dune::InvalidStateException, "Formulation: " << formulation << " is invalid.");
- }
- else DUNE_THROW(Dune::InvalidStateException, "phasePresence: " << phasePresence << " is invalid.");
- fluidState.setSaturation(wPhaseIdx, 1 - sn);
- fluidState.setSaturation(nPhaseIdx, sn);
-
- /////////////
- // set the pressures of the fluid phases
- /////////////
-
- // calculate capillary pressure
- const MaterialLawParams &materialParams =
- problem.spatialParams().materialLawParams(element, fvGeometry, scvIdx);
- Scalar pc = MaterialLaw::pc(materialParams, 1 - sn);
-
- if (formulation == pwsn) {
- fluidState.setPressure(wPhaseIdx, priVars[pressureIdx]);
- fluidState.setPressure(nPhaseIdx, priVars[pressureIdx] + pc);
- }
- else if (formulation == pnsw) {
- fluidState.setPressure(nPhaseIdx, priVars[pressureIdx]);
- fluidState.setPressure(wPhaseIdx, priVars[pressureIdx] - pc);
- }
- else DUNE_THROW(Dune::InvalidStateException, "Formulation: " << formulation << " is invalid.");
-
- /////////////
- // calculate the phase compositions
- /////////////
- typename FluidSystem::ParameterCache paramCache;
-
- //get the phase pressures and set the fugacity coefficients here if constraintsolver is not used
- Scalar pn = 0;
- Scalar pw = 0;
-
- if(!useConstraintSolver) {
- if (formulation == pwsn) {
- pw = priVars[pressureIdx];
- pn = pw + pc;
- }
- else {
- pn = priVars[pressureIdx];
- pw = pn - pc;
- }
-
- for (int phaseIdx = 0; phaseIdx < numPhases; ++ phaseIdx) {
- assert(FluidSystem::isIdealMixture(phaseIdx));
-
- for (int compIdx = 0; compIdx < numComponents; ++ compIdx) {
- Scalar phi = FluidSystem::fugacityCoefficient(fluidState, paramCache, phaseIdx, compIdx);
- fluidState.setFugacityCoefficient(phaseIdx, compIdx, phi);
- }
- }
- }
-
- // now comes the tricky part: calculate phase compositions
- if (phasePresence == bothPhases) {
- // both phases are present, phase compositions are a
- // result of the the nonwetting <-> wetting equilibrium. This is
- // the job of the "MiscibleMultiPhaseComposition"
- // constraint solver
- if(useConstraintSolver) {
- MiscibleMultiPhaseComposition::solve(fluidState,
- paramCache,
- /*setViscosity=*/true,
- /*setInternalEnergy=*/false);
- }
- // ... or calculated explicitly this way ...
- else {
- //get the partial pressure of the main component of the the wetting phase ("H20") within the nonwetting (gas) phase == vapor pressure due to equilibrium
- //note that in this case the fugacityCoefficient * pw is the vapor pressure (see implementation in respective fluidsystem)
- Scalar partPressH2O = FluidSystem::fugacityCoefficient(fluidState,
- wPhaseIdx,
- wCompIdx) * pw;
-
- // get the partial pressure of the main component of the the nonwetting (gas) phase ("Air")
- Scalar partPressAir = pn - partPressH2O;
-
- //calculate the mole fractions of the components within the nonwetting phase
- Scalar xnn = partPressAir/pn;
- Scalar xnw = partPressH2O/pn;
-
- // calculate the mole fractions of the components within the wetting phase
- //note that in this case the fugacityCoefficient * pw is the Henry Coefficient (see implementation in respective fluidsystem)
- Scalar xwn = partPressAir
- / (FluidSystem::fugacityCoefficient(fluidState,
- wPhaseIdx,nCompIdx)
- * pw);
-
- Scalar xww = 1.0 -xwn;
-
- //set all mole fractions
- fluidState.setMoleFraction(wPhaseIdx, wCompIdx, xww);
- fluidState.setMoleFraction(wPhaseIdx, nCompIdx, xwn);
- fluidState.setMoleFraction(nPhaseIdx, wCompIdx, xnw);
- fluidState.setMoleFraction(nPhaseIdx, nCompIdx, xnn);
-
- paramCache.updateComposition(fluidState, wPhaseIdx);
- paramCache.updateComposition(fluidState, nPhaseIdx);
-
- //set the phase densities
- Scalar rhoW = FluidSystem::density(fluidState, paramCache, wPhaseIdx);
- Scalar rhoN = FluidSystem::density(fluidState, paramCache, nPhaseIdx);
-
- fluidState.setDensity(wPhaseIdx, rhoW);
- fluidState.setDensity(nPhaseIdx, rhoN);
- }
- }
- else if (phasePresence == nPhaseOnly) {
- // only the nonwetting phase is present, i.e. nonwetting phase
- // composition is stored explicitly.
- if(useMoles)
- {
- fluidState.setMoleFraction(nPhaseIdx, nCompIdx, 1 - priVars[switchIdx]);
- fluidState.setMoleFraction(nPhaseIdx, wCompIdx, priVars[switchIdx]);
- }
- else
- {
- // setMassFraction() has only to be called 1-numComponents times
- fluidState.setMassFraction(nPhaseIdx, wCompIdx, priVars[switchIdx]);
- }
-
- // calculate the composition of the remaining phases (as
- // well as the densities of all phases). This is the job
- // of the "ComputeFromReferencePhase" constraint solver
- if (useConstraintSolver) {
- ComputeFromReferencePhase::solve(fluidState,
- paramCache,
- nPhaseIdx,
- /*setViscosity=*/true,
- /*setInternalEnergy=*/false);
- }
- // ... or calculated explicitly this way ...
- else {
- // note that the water phase is actually not existing!
- // thus, this is used as phase switch criterion
- Scalar xnw = priVars[switchIdx];
- Scalar xnn = 1.0 -xnw;
-
- //first, xww:
- // xnw * pn = "actual" (hypothetical) vapor pressure
- // fugacityCoefficient * pw = vapor pressure given by thermodynamic conditions
- // Here, xww is not actually the mole fraction of water in the wetting phase
- // xww is only the ratio of "actual" vapor pressure / "thermodynamic" vapor pressure
- // If xww > 1 : gas is over-saturated with water vapor,
- // condensation takes place (see switch criterion in model)
- Scalar xww = xnw * pn
- / (FluidSystem::fugacityCoefficient(fluidState,
- wPhaseIdx,wCompIdx)
- * pw);
-
- // now, xwn:
- //partialPressure / xwn = Henry
- //partialPressure = xnn * pn
- //xwn = xnn * pn / Henry
- // Henry = fugacityCoefficient * pw
- Scalar xwn = xnn * pn / (FluidSystem::fugacityCoefficient(fluidState,
- wPhaseIdx,nCompIdx)
- * pw);
-
- fluidState.setMoleFraction(wPhaseIdx, wCompIdx, xww);
- fluidState.setMoleFraction(wPhaseIdx, nCompIdx, xwn);
-
- paramCache.updateComposition(fluidState, wPhaseIdx);
- paramCache.updateComposition(fluidState, nPhaseIdx);
-
- Scalar rhoW = FluidSystem::density(fluidState, paramCache, wPhaseIdx);
- Scalar rhoN = FluidSystem::density(fluidState, paramCache, nPhaseIdx);
-
- fluidState.setDensity(wPhaseIdx, rhoW);
- fluidState.setDensity(nPhaseIdx, rhoN);
- }
- }
- else if (phasePresence == wPhaseOnly) {
- // only the wetting phase is present, i.e. wetting phase
- // composition is stored explicitly.
- if(useMoles) // mole-fraction formulation
- {
- fluidState.setMoleFraction(wPhaseIdx, wCompIdx, 1-priVars[switchIdx]);
- fluidState.setMoleFraction(wPhaseIdx, nCompIdx, priVars[switchIdx]);
- }
- else // mass-fraction formulation
- {
- // setMassFraction() has only to be called 1-numComponents times
- fluidState.setMassFraction(wPhaseIdx, nCompIdx, priVars[switchIdx]);
- }
-
- // calculate the composition of the remaining phases (as
- // well as the densities of all phases). This is the job
- // of the "ComputeFromReferencePhase" constraint solver
- if (useConstraintSolver) {
- ComputeFromReferencePhase::solve(fluidState,
- paramCache,
- wPhaseIdx,
- /*setViscosity=*/true,
- /*setInternalEnergy=*/false);
- }
- // ... or calculated explicitly this way ...
- else {
- // note that the gas phase is actually not existing!
- // thus, this is used as phase switch criterion
- Scalar xwn = priVars[switchIdx];
-
- //first, xnw:
- //psteam = xnw * pn = partial pressure of water in gas phase
- //psteam = fugacityCoefficient * pw
- Scalar xnw = (FluidSystem::fugacityCoefficient(fluidState,
- wPhaseIdx,wCompIdx)
- * pw) / pn ;
-
- //now, xnn:
- // xwn = partialPressure / Henry
- // partialPressure = pn * xnn
- // xwn = pn * xnn / Henry
- // xnn = xwn * Henry / pn
- // Henry = fugacityCoefficient * pw
- Scalar xnn = xwn * (FluidSystem::fugacityCoefficient(fluidState,
- wPhaseIdx,nCompIdx)
- * pw) / pn ;
-
- fluidState.setMoleFraction(nPhaseIdx, nCompIdx, xnn);
- fluidState.setMoleFraction(nPhaseIdx, wCompIdx, xnw);
-
- paramCache.updateComposition(fluidState, wPhaseIdx);
- paramCache.updateComposition(fluidState, nPhaseIdx);
-
- Scalar rhoW = FluidSystem::density(fluidState, paramCache, wPhaseIdx);
- Scalar rhoN = FluidSystem::density(fluidState, paramCache, nPhaseIdx);
-
- fluidState.setDensity(wPhaseIdx, rhoW);
- fluidState.setDensity(nPhaseIdx, rhoN);
- }
- }
-
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
- //set the viscosity here if constraintsolver is not used
- if(!useConstraintSolver) {
- const Scalar mu =
- FluidSystem::viscosity(fluidState,
- paramCache,
- phaseIdx);
- fluidState.setViscosity(phaseIdx,mu);
- }
- // compute and set the enthalpy
- Scalar h = Implementation::enthalpy_(fluidState, paramCache, phaseIdx);
- fluidState.setEnthalpy(phaseIdx, h);
- }
- }
-
-
- /*!
- * \brief Returns the phase state within the control volume.
- */
- const FluidState &fluidState() const
- { return fluidState_; }
-
- /*!
- * \brief Returns the saturation of a given phase within
- * the control volume in \f$[-]\f$.
- *
- * \param phaseIdx The phase index
- */
- Scalar saturation(const int phaseIdx) const
- { return fluidState_.saturation(phaseIdx); }
-
- /*!
- * \brief Returns the mass fraction of a given component in a
- * given phase within the control volume in \f$[-]\f$.
- *
- * \param phaseIdx The phase index
- * \param compIdx The component index
- */
- Scalar massFraction(const int phaseIdx, const int compIdx) const
- { return fluidState_.massFraction(phaseIdx, compIdx); }
-
- /*!
- * \brief Returns the mole fraction of a given component in a
- * given phase within the control volume in \f$[-]\f$.
- *
- * \param phaseIdx The phase index
- * \param compIdx The component index
- */
- Scalar moleFraction(const int phaseIdx, const int compIdx) const
- { return fluidState_.moleFraction(phaseIdx, compIdx); }
-
- /*!
- * \brief Returns the mass density of a given phase within the
- * control volume in \f$[kg/m^3]\f$.
- *
- * \param phaseIdx The phase index
- */
- Scalar density(const int phaseIdx) const
- { return fluidState_.density(phaseIdx); }
-
- /*!
- * \brief Returns the dynamic viscosity of the fluid within the
- * control volume in \f$\mathrm{[Pa s]}\f$.
- *
- * \param phaseIdx The phase index
- */
- Scalar viscosity(const int phaseIdx) const
- { return fluidState_.viscosity(phaseIdx); }
-
- /*!
- * \brief Returns the mass density of a given phase within the
- * control volume in \f$[mol/m^3]\f$.
- *
- * \param phaseIdx The phase index
- */
- Scalar molarDensity(const int phaseIdx) const
- { return fluidState_.density(phaseIdx) / fluidState_.averageMolarMass(phaseIdx); }
-
- /*!
- * \brief Returns the effective pressure of a given phase within
- * the control volume in \f$[kg/(m*s^2)=N/m^2=Pa]\f$.
- *
- * \param phaseIdx The phase index
- */
- Scalar pressure(const int phaseIdx) const
- { return fluidState_.pressure(phaseIdx); }
-
- /*!
- * \brief Returns temperature within the control volume in \f$[K]\f$.
- *
- * Note that we assume thermodynamic equilibrium, i.e. the
- * temperature of the rock matrix and of all fluid phases are
- * identical.
- */
- Scalar temperature() const
- { return fluidState_.temperature(/*phaseIdx=*/0); }
-
- /*!
- * \brief Returns the relative permeability of a given phase within
- * the control volume in \f$[-]\f$.
- *
- * \param phaseIdx The phase index
- */
- Scalar relativePermeability(const int phaseIdx) const
- {
- return relativePermeability_[phaseIdx];
- }
-
- /*!
- * \brief Returns the effective mobility of a given phase within
- * the control volume in \f$[s*m/kg]\f$.
- *
- * \param phaseIdx The phase index
- */
- Scalar mobility(const int phaseIdx) const
- {
- return relativePermeability_[phaseIdx]/fluidState_.viscosity(phaseIdx);
- }
-
- /*!
- * \brief Returns the effective capillary pressure within the control volume
- * in \f$[kg/(m*s^2)=N/m^2=Pa]\f$.
- */
- Scalar capillaryPressure() const
- { return fluidState_.pressure(nPhaseIdx) - fluidState_.pressure(wPhaseIdx); }
-
- /*!
- * \brief Returns the average porosity within the control volume in \f$[-]\f$.
- */
- Scalar porosity() const
- { return porosity_; }
-
- /*!
- * \brief Returns the binary diffusion coefficients for a phase in \f$[m^2/s]\f$.
- */
- Scalar diffCoeff(const int phaseIdx) const
- { return diffCoeff_[phaseIdx]; }
-
-
-protected:
- static Scalar temperature_(const PrimaryVariables &priVars,
- const Problem& problem,
- const Element &element,
- const FVElementGeometry &fvGeometry,
- int scvIdx)
- {
- return problem.temperatureAtPos(fvGeometry.subContVol[scvIdx].global);
- }
-
- template<class ParameterCache>
- static Scalar enthalpy_(const FluidState& fluidState,
- const ParameterCache& paramCache,
- const int phaseIdx)
- {
- return 0;
- }
-
- /*!
- * \brief Called by update() to compute the energy related quantities
- */
- void updateEnergy_(const PrimaryVariables &sol,
- const Problem &problem,
- const Element &element,
- const FVElementGeometry &fvGeometry,
- const int scvIdx,
- bool isOldSol)
- { }
-
- Scalar porosity_; //!< Effective porosity within the control volume
- Scalar relativePermeability_[numPhases]; //!< Relative permeability within the control volume
- Scalar diffCoeff_[numPhases]; //!< Binary diffusion coefficients for the phases
- FluidState fluidState_;
-
-private:
- Implementation &asImp_()
- { return *static_cast<Implementation*>(this); }
-
- const Implementation &asImp_() const
- { return *static_cast<const Implementation*>(this); }
-
-
-};
-
-} // end namespace
+#include <dumux/porousmediumflow/2p2c/implicit/volumevariables.hh>
#endif
diff --git a/dumux/implicit/2pnc/2pncfluxvariables.hh b/dumux/implicit/2pnc/2pncfluxvariables.hh
index 541db7b224..ce450cea11 100644
--- a/dumux/implicit/2pnc/2pncfluxvariables.hh
+++ b/dumux/implicit/2pnc/2pncfluxvariables.hh
@@ -1,415 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \file
- * \brief Contains the data which is required to calculate
- * all fluxes of components over a face of a finite volume for
- * the two-phase two-component model fully implicit model.
- */
-#ifndef DUMUX_2PNC_FLUX_VARIABLES_HH
-#define DUMUX_2PNC_FLUX_VARIABLES_HH
+#ifndef DUMUX_2PNC_FLUX_VARIABLES_HH_OLD
+#define DUMUX_2PNC_FLUX_VARIABLES_HH_OLD
-#include <dumux/common/math.hh>
-#include <dumux/common/spline.hh>
+#warning this header is deprecated, use dumux/porousmediumflow/2pnc/implicit/fluxvariables.hh instead
-#include "2pncproperties.hh"
-
-namespace Dumux
-{
-/*!
- * \ingroup TwoPNCModel
- * \ingroup ImplicitFluxVariables
- * \brief Contains the data which is required to calculate
- * all fluxes of components over a face of a finite volume for
- * the two-phase n-component fully implicit model.
- *
- * This means pressure and concentration gradients, phase densities at
- * the integration point, etc.
- */
-
-template <class TypeTag>
-class TwoPNCFluxVariables : public GET_PROP_TYPE(TypeTag, BaseFluxVariables)
-{
- typedef typename GET_PROP_TYPE(TypeTag, BaseFluxVariables) BaseFluxVariables;
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
-
- typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
- typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
-
- typedef typename GridView::ctype CoordScalar;
- typedef typename GridView::template Codim<0>::Entity Element;
- typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
-
- enum {
- dim = GridView::dimension,
- dimWorld = GridView::dimensionworld,
- numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
- numComponents = GET_PROP_VALUE(TypeTag, NumComponents),
- };
-
- typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
- typedef typename GET_PROP_TYPE(TypeTag, SpatialParams) SpatialParams;
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
-// typedef typename FVElementGeometry::SubControlVolume SCV;
- typedef typename FVElementGeometry::SubControlVolumeFace SCVFace;
-
- typedef Dune::FieldVector<CoordScalar, dimWorld> DimVector;
- typedef Dune::FieldMatrix<CoordScalar, dim, dim> DimMatrix;
-
- typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
- enum {
- wPhaseIdx = FluidSystem::wPhaseIdx,
- nPhaseIdx = FluidSystem::nPhaseIdx,
- wCompIdx = FluidSystem::wCompIdx,
- };
-
-public:
- /*!
- * \brief The constructor
- *
- * \param problem The problem
- * \param element The finite element
- * \param fvGeometry The finite-volume geometry in the fully implicit scheme
- * \param fIdx The local index of the sub-control-volume face
- * \param elemVolVars The volume variables of the current element
- * \param onBoundary Evaluate flux at inner sub-control-volume face or on a boundary face
- */
- TwoPNCFluxVariables(const Problem &problem,
- const Element &element,
- const FVElementGeometry &fvGeometry,
- const int fIdx,
- const ElementVolumeVariables &elemVolVars,
- const bool onBoundary = false)
- : BaseFluxVariables(problem, element, fvGeometry, fIdx, elemVolVars, onBoundary)
- {
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
- density_[phaseIdx] = Scalar(0);
- molarDensity_[phaseIdx] = Scalar(0);
- potentialGrad_[phaseIdx] = Scalar(0);
- for (int compIdx = 0; compIdx < numComponents; ++compIdx)
- {
- massFractionGrad_[phaseIdx][compIdx] = Scalar(0);
- moleFractionGrad_[phaseIdx][compIdx] = Scalar(0);
- }
- }
- calculateGradients_(problem, element, elemVolVars);
- calculateVelocities_(problem, element, elemVolVars);
- calculateporousDiffCoeff_(problem, element, elemVolVars);
- };
-
-protected:
- void calculateGradients_(const Problem &problem,
- const Element &element,
- const ElementVolumeVariables &elemVolVars)
- {
- // calculate gradients
- DimVector tmp(0.0);
- for (int idx = 0;
- idx < this->fvGeometry_.numScv;
- idx++) // loop over adjacent vertices
- {
- // FE gradient at vertex idx
- const DimVector &feGrad = face().grad[idx];
-
- // compute sum of pressure gradients for each phase
- for (int phaseIdx = 0; phaseIdx < numPhases; phaseIdx++)
- {
- // the pressure gradient
- tmp = feGrad;
- tmp *= elemVolVars[idx].pressure(phaseIdx); //FE grad times phase pressure
- potentialGrad_[phaseIdx] += tmp;
- }
-
- // the concentration gradient of the non-wetting
- // component in the wetting phase
-
- for(int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- {
- for(int compIdx = 0; compIdx < numComponents; ++compIdx)
- {
- if(compIdx != phaseIdx) //No grad is needed for this case
- {
- tmp = feGrad;
- tmp *= elemVolVars[idx].massFraction(phaseIdx, compIdx);
- massFractionGrad_[phaseIdx][compIdx] += tmp;
-
- tmp = feGrad;
- tmp *= elemVolVars[idx].moleFraction(phaseIdx, compIdx);
- moleFractionGrad_[phaseIdx][compIdx] += tmp;
- }
- }
- }
- }
-
- // correct the pressure gradients by the hydrostatic
- // pressure due to gravity
- for (int phaseIdx=0; phaseIdx < numPhases; phaseIdx++)
- {
- int i = face().i;
- int j = face().j;
- Scalar fI = rhoFactor_(phaseIdx, i, elemVolVars);
- Scalar fJ = rhoFactor_(phaseIdx, j, elemVolVars);
- if (fI + fJ <= 0)
- fI = fJ = 0.5; // doesn't matter because no phase is
- // present in both cells!
- density_[phaseIdx] =
- (fI*elemVolVars[i].density(phaseIdx) +
- fJ*elemVolVars[j].density(phaseIdx))
- /
- (fI + fJ);
- // phase density
- molarDensity_[phaseIdx]
- =
- (fI*elemVolVars[i].molarDensity(phaseIdx) +
- fJ*elemVolVars[j].molarDensity(phaseIdx))
- /
- (fI + fJ); //arithmetic averaging
-
- tmp = problem.gravity();
- tmp *= density_[phaseIdx];
-
- potentialGrad_[phaseIdx] -= tmp;
- }
- }
-
- Scalar rhoFactor_(int phaseIdx, int scvIdx, const ElementVolumeVariables &vDat)
- {
-
- static const Scalar eps = 1e-2;
- const Scalar sat = vDat[scvIdx].density(phaseIdx);
- if (sat > eps)
- return 0.5;
- if (sat <= 0)
- return 0;
-
- static const Dumux::Spline<Scalar> sp(0, eps, // x0, x1
- 0, 0.5, // y0, y1
- 0, 0); // m0, m1
- return sp.eval(sat);
- }
-
- void calculateVelocities_(const Problem &problem,
- const Element &element,
- const ElementVolumeVariables &elemVolVars)
- {
- const SpatialParams &spatialParams = problem.spatialParams();
- // multiply the pressure potential with the intrinsic
- // permeability
- DimMatrix K(0.0);
-
- for (int phaseIdx=0; phaseIdx < numPhases; phaseIdx++)
- {
- auto K_i = spatialParams.intrinsicPermeability(element,this->fvGeometry_,face().i);
- //K_i *= volVarsI.permFactor();
-
- auto K_j = spatialParams.intrinsicPermeability(element,this->fvGeometry_,face().j);
- //K_j *= volVarsJ.permFactor();
-
- spatialParams.meanK(K,K_i,K_j);
-
- K.mv(potentialGrad_[phaseIdx], Kmvp_[phaseIdx]);
- KmvpNormal_[phaseIdx] = - (Kmvp_[phaseIdx] * face().normal);
- }
-
- // set the upstream and downstream vertices
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- {
- upstreamIdx_[phaseIdx] = face().i;
- downstreamIdx_[phaseIdx] = face().j;
-
- if (KmvpNormal_[phaseIdx] < 0) {
- std::swap(upstreamIdx_[phaseIdx],
- downstreamIdx_[phaseIdx]);
- }
- }
- }
-
- void calculateporousDiffCoeff_(const Problem &problem,
- const Element &element,
- const ElementVolumeVariables &elemVolVars)
- {
- const VolumeVariables &volVarsI = elemVolVars[face().i];
- const VolumeVariables &volVarsJ = elemVolVars[face().j];
-
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- {
- /* If there is no phase saturation on either side of the face
- * no diffusion takes place */
-
- if (volVarsI.saturation(phaseIdx) <= 0 ||
- volVarsJ.saturation(phaseIdx) <= 0)
- {
- for (int compIdx = 0; compIdx < numComponents; ++compIdx)
- {
- porousDiffCoeff_[phaseIdx][compIdx] = 0.0;
- }
- }
-
- else
- {
- // calculate tortuosity at the nodes i and j needed
- // for porous media diffusion coefficient
- Scalar tauI = 1.0/(volVarsI.porosity() * volVarsI.porosity()) *
- pow(volVarsI.porosity() * volVarsI.saturation(phaseIdx), 7.0/3);
-
- Scalar tauJ = 1.0/(volVarsJ.porosity() * volVarsJ.porosity()) *
- pow(volVarsJ.porosity() * volVarsJ.saturation(phaseIdx), 7.0/3);
- // Diffusion coefficient in the porous medium
-
- // -> harmonic mean
- for (int compIdx = 0; compIdx < numComponents; ++compIdx)
- {
- if(phaseIdx==compIdx)
- porousDiffCoeff_[phaseIdx][compIdx] = 0.0;
- else
- {
- porousDiffCoeff_[phaseIdx][compIdx] = harmonicMean(volVarsI.porosity() * volVarsI.saturation(phaseIdx) * tauI * volVarsI.diffCoeff(phaseIdx, compIdx),
- volVarsJ.porosity() * volVarsJ.saturation(phaseIdx) * tauJ * volVarsJ.diffCoeff(phaseIdx, compIdx));
- }
- }
- }
- }
- }
-
-public:
- /*!
- * \brief Return the pressure potential multiplied with the
- * intrinsic permeability which goes from vertex i to
- * vertex j.
- *
- * Note that the length of the face's normal is the area of the
- * face, so this is not the actual velocity by the integral of
- * the velocity over the face's area. Also note that the phase
- * mobility is not yet included here since this would require a
- * decision on the upwinding approach (which is done in the
- * model and/or local residual file).
- *
- * \param phaseIdx The phase index
- */
- Scalar KmvpNormal(int phaseIdx) const
- { return KmvpNormal_[phaseIdx]; }
-
- /*!
- * \brief Return the pressure potential multiplied with the
- * intrinsic permeability as vector (for velocity output)
- *
- * \param phaseIdx The phase index
- */
- DimVector Kmvp(int phaseIdx) const
- { return Kmvp_[phaseIdx]; }
-
- /*!
- * \brief Return the local index of the upstream control volume
- * for a given phase.
- *
- * \param phaseIdx The phase index
- */
- int upstreamIdx(int phaseIdx) const
- { return upstreamIdx_[phaseIdx]; }
-
- /*!
- * \brief Return the local index of the downstream control volume
- * for a given phase.
- *
- * \param phaseIdx The phase index
- */
- int downstreamIdx(int phaseIdx) const
- { return downstreamIdx_[phaseIdx]; }
-
- /*!
- * \brief The binary diffusion coefficient for each fluid phase.
- *
- * \param phaseIdx The phase index
- * \param compIdx The component index
- */
- Scalar porousDiffCoeff(int phaseIdx, int compIdx) const
- { return porousDiffCoeff_[phaseIdx][compIdx];}
-
- /*!
- * \brief Return density \f$\mathrm{[kg/m^3]}\f$ of a phase at the integration
- * point.
- *
- * \param phaseIdx The phase index
- */
- Scalar density(int phaseIdx) const
- { return density_[phaseIdx]; }
-
- /*!
- * \brief Return molar density \f$\mathrm{[mol/m^3]}\f$ of a phase at the integration
- * point.
- *
- * \param phaseIdx The phase index
- */
- Scalar molarDensity(int phaseIdx) const
- { return molarDensity_[phaseIdx]; }
-
- /*!
- * \brief The concentration gradient of a component in a phase.
- *
- * \param phaseIdx The phase index
- * \param compIdx The component index
- */
- const DimVector &massFractionGrad(int phaseIdx, int compIdx) const
- { return massFractionGrad_[phaseIdx][compIdx]; }
-
- /*!
- * \brief The molar concentration gradient of a component in a phase.
- *
- * \param phaseIdx The phase index
- * \param compIdx The component index
- */
- const DimVector &moleFractionGrad(int phaseIdx, int compIdx) const
- { return moleFractionGrad_[phaseIdx][compIdx]; }
-
- const SCVFace &face() const
- {
- if (this->onBoundary_)
- return this->fvGeometry_.boundaryFace[this->faceIdx_];
- else
- return this->fvGeometry_.subContVolFace[this->faceIdx_];
- }
-
-protected:
-
- // gradients
- DimVector potentialGrad_[numPhases];
- DimVector massFractionGrad_[numPhases][numComponents];
- DimVector moleFractionGrad_[numPhases][numComponents];
-
- // density of each face at the integration point
- Scalar density_[numPhases], molarDensity_[numPhases];
-
- // intrinsic permeability times pressure potential gradient
- DimVector Kmvp_[numPhases];
- // projected on the face normal
- Scalar KmvpNormal_[numPhases];
-
- // local index of the upwind vertex for each phase
- int upstreamIdx_[numPhases];
- // local index of the downwind vertex for each phase
- int downstreamIdx_[numPhases];
-
- // the diffusion coefficient for the porous medium
- Dune::FieldMatrix<Scalar, numPhases, numComponents> porousDiffCoeff_;
-};
-
-} // end namespace
+#include <dumux/porousmediumflow/2pnc/implicit/fluxvariables.hh>
#endif
diff --git a/dumux/implicit/2pnc/2pncindices.hh b/dumux/implicit/2pnc/2pncindices.hh
index 16e55dad8d..309c8c7318 100644
--- a/dumux/implicit/2pnc/2pncindices.hh
+++ b/dumux/implicit/2pnc/2pncindices.hh
@@ -1,80 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
+#ifndef DUMUX_2PNC_INDICES_HH_OLD
+#define DUMUX_2PNC_INDICES_HH_OLD
-/*!
- * \file
- * \brief Defines the indices required for the two-phase n-component
- * fully implicit model.
- */
-#ifndef DUMUX_2PNC_INDICES_HH
-#define DUMUX_2PNC_INDICES_HH
-#include "2pncproperties.hh"
-namespace Dumux
-{
-/*!
- * \ingroup TwoPNCModel
- * \ingroup ImplicitIndices
- * \brief Enumerates the formulations which the two-phase n-component model accepts.
- *
- */
-struct TwoPNCFormulation//TODO: This might need to be change similar to 2p2c indices
-{
- enum {
- plSg,
- pgSl,
- pnSw = pgSl,
- pwSn = plSg
- };
-};
+#warning this header is deprecated, use dumux/porousmediumflow/2pnc/implicit/indices.hh instead
-/*!
- * \ingroup TwoPNCModel
- * \ingroup ImplicitIndices
- * \brief The indices for the isothermal two-phase n-component model.
- *
- * \tparam PVOffset The first index in a primary variable vector.
- */
-template <class TypeTag, int PVOffset = 0>
-class TwoPNCIndices
-{
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
-
-public:
- // Phase indices
- static const int wPhaseIdx = FluidSystem::wPhaseIdx; //!< Index of the wetting phase
- static const int nPhaseIdx = FluidSystem::nPhaseIdx; //!< Index of the non-wetting phase
- // present phases (-> 'pseudo' primary variable)
- static const int wPhaseOnly = 1; //!< Only the non-wetting phase is present
- static const int nPhaseOnly = 2; //!< Only the wetting phase is present
- static const int bothPhases = 3; //!< Both phases are present
-
- // Primary variable indices
- static const int pressureIdx = PVOffset + 0; //!< Index for wetting/non-wetting phase pressure (depending on formulation) in a solution vector
- static const int switchIdx = PVOffset + 1; //!< Index of the either the saturation or the mass fraction of the non-wetting/wetting phase
- // equation indices
- static const int conti0EqIdx = PVOffset + 0; //!< Reference index for mass conservation equations.
- static const int contiWEqIdx = conti0EqIdx + FluidSystem::wCompIdx; //!< Index of the mass conservation equation for the wetting phase major component
- static const int contiNEqIdx = conti0EqIdx + FluidSystem::nCompIdx; //!< Index of the mass conservation equation for the non-wetting phase major component
-};
-
-// \}
-
-}
+#include <dumux/porousmediumflow/2pnc/implicit/indices.hh>
#endif
diff --git a/dumux/implicit/2pnc/2pnclocalresidual.hh b/dumux/implicit/2pnc/2pnclocalresidual.hh
index 6cbb065a1f..719ae05878 100644
--- a/dumux/implicit/2pnc/2pnclocalresidual.hh
+++ b/dumux/implicit/2pnc/2pnclocalresidual.hh
@@ -1,349 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \file
- *
- * \brief Element-wise calculation of the Jacobian matrix for problems
- * using the two-phase n-component box model.
- */
+#ifndef DUMUX_2PNC_LOCAL_RESIDUAL_BASE_HH_OLD
+#define DUMUX_2PNC_LOCAL_RESIDUAL_BASE_HH_OLD
-#ifndef DUMUX_2PNC_LOCAL_RESIDUAL_BASE_HH
-#define DUMUX_2PNC_LOCAL_RESIDUAL_BASE_HH
+#warning this header is deprecated, use dumux/porousmediumflow/2pnc/implicit/localresidual.hh instead
-#include "2pncproperties.hh"
-#include "2pncvolumevariables.hh"
-#include <dumux/nonlinear/newtoncontroller.hh>
-
-#include <iostream>
-#include <vector>
-
-namespace Dumux
-{
-/*!
- * \ingroup TwoPNCModel
- * \ingroup ImplicitLocalResidual
- * \brief Element-wise calculation of the Jacobian matrix for problems
- * using the two-phase n-component fully implicit box model.
- *
- * This class is used to fill the gaps in ImplicitLocalResidual for the two-phase n-component flow.
- */
-template<class TypeTag>
-class TwoPNCLocalResidual: public GET_PROP_TYPE(TypeTag, BaseLocalResidual)
-{
-protected:
- typedef TwoPNCLocalResidual<TypeTag> ThisType;
- typedef typename GET_PROP_TYPE(TypeTag, LocalResidual) Implementation;
- typedef BoxLocalResidual<TypeTag> ParentType;
-
- typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
- typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
-
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
-
- typedef typename GET_PROP_TYPE(TypeTag, SolutionVector) SolutionVector;
- typedef typename GET_PROP_TYPE(TypeTag, ElementSolutionVector) ElementSolutionVector;
- typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
- typedef typename GET_PROP_TYPE(TypeTag, BoundaryTypes) BoundaryTypes;
-
- typedef CompositionalFluidState<Scalar, FluidSystem> FluidState;
- typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
-
- enum
- {
- dim = GridView::dimension,
- dimWorld = GridView::dimensionworld,
-
- numEq = GET_PROP_VALUE(TypeTag, NumEq),
- numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
- numComponents = GET_PROP_VALUE(TypeTag, NumComponents),
-
- replaceCompEqIdx = GET_PROP_VALUE(TypeTag, ReplaceCompEqIdx),
-
- pressureIdx = Indices::pressureIdx,
- switchIdx = Indices::switchIdx,
-
- wPhaseIdx = FluidSystem::wPhaseIdx,
- nPhaseIdx = FluidSystem::nPhaseIdx,
-
- wCompIdx = FluidSystem::wCompIdx,
- nCompIdx = FluidSystem::nCompIdx,
-
- conti0EqIdx = Indices::conti0EqIdx,
-
- wPhaseOnly = Indices::wPhaseOnly,
- nPhaseOnly = Indices::nPhaseOnly,
- bothPhases = Indices::bothPhases,
-
- plSg = TwoPNCFormulation::plSg,
- pgSl = TwoPNCFormulation::pgSl,
- formulation = GET_PROP_VALUE(TypeTag, Formulation)
- };
-
- typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
- typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
- typedef typename GET_PROP_TYPE(TypeTag, ElementBoundaryTypes) ElementBoundaryTypes;
- typedef typename GET_PROP_TYPE(TypeTag, FluxVariables) FluxVariables;
- typedef typename GET_PROP_TYPE(TypeTag, SpatialParams) SpatialParams;
- typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
-
-
- typedef typename GridView::template Codim<0>::Entity Element;
- typedef typename GridView::ctype CoordScalar;
-
-
-public:
- /*!
- * \brief Constructor. Sets the upwind weight.
- */
- TwoPNCLocalResidual()
- {
- // retrieve the upwind weight for the mass conservation equations. Use the value
- // specified via the property system as default, and overwrite
- // it by the run-time parameter from the Dune::ParameterTree
- massUpwindWeight_ = GET_PARAM_FROM_GROUP(TypeTag, Scalar, Implicit, MassUpwindWeight);
- };
-
- /*!
- * \brief Evaluate the storage term of the current solution in a
- * single phase.
- *
- * \param element The element
- * \param phaseIdx The index of the fluid phase
- */
- void evalPhaseStorage(const Element &element, int phaseIdx)
- {
- FVElementGeometry fvGeometry;
- fvGeometry.update(this->gridView_(), element);
- ElementBoundaryTypes bcTypes;
- bcTypes.update(this->problem_(), element, fvGeometry);
- ElementVolumeVariables volVars;
- volVars.update(this->problem_(), element, fvGeometry, false);
-
- this->residual_.resize(fvGeometry.numScv);
- this->residual_ = 0;
-
- this->elemPtr_ = &element;
- this->fvElemGeomPtr_ = &fvGeometry;
- this->bcTypesPtr_ = &bcTypes;
- this->prevVolVarsPtr_ = 0;
- this->curVolVarsPtr_ = &volVars;
- evalPhaseStorage_(phaseIdx);
- }
-
- /*!
- * \brief Evaluate the amount all conservation quantities
- * (e.g. phase mass) within a sub-control volume.
- *
- * The result should be averaged over the volume (e.g. phase mass
- * inside a sub control volume divided by the volume)
- *
- * \param storage the mass of the component within the sub-control volume
- * \param scvIdx The SCV (sub-control-volume) index
- * \param usePrevSol Evaluate function with solution of current or previous time step
- */
- void computeStorage(PrimaryVariables &storage, int scvIdx, bool usePrevSol) const
- {
- // if flag usePrevSol is set, the solution from the previous
- // time step is used, otherwise the current solution is
- // used. The secondary variables are used accordingly. This
- // is required to compute the derivative of the storage term
- // using the implicit euler method.
- const ElementVolumeVariables &elemVolVars = usePrevSol ? this->prevVolVars_()
- : this->curVolVars_();
- const VolumeVariables &volVars = elemVolVars[scvIdx];
-
- // Compute storage term of all fluid components in the fluid phases
- storage = 0;
- for (unsigned int phaseIdx = 0; phaseIdx < numPhases /*+ numSPhases*/; ++phaseIdx)
- {
- //if(phaseIdx< numPhases)
- //{
- for (unsigned int compIdx = 0; compIdx < numComponents; ++compIdx) //H2O, Air, Salt
- {
- int eqIdx = conti0EqIdx + compIdx;
- if (replaceCompEqIdx != eqIdx)
- {
- storage[eqIdx] += volVars.molarDensity(phaseIdx)
- * volVars.saturation(phaseIdx)
- * volVars.moleFraction(phaseIdx, compIdx)
- * volVars.porosity();
- }
- else
- {
- storage[replaceCompEqIdx] += volVars.molarDensity(phaseIdx)
- * volVars.saturation(phaseIdx)
- * volVars.porosity();
- }
- }
- }
- Valgrind::CheckDefined(storage);
- }
- /*!
- * \brief Evaluates the total flux of all conservation quantities
- * over a face of a sub-control volume.
- *
- * \param flux The flux over the sub-control-volume face for each component
- * \param fIdx The index of the sub-control-volume face
- * \param onBoundary Evaluate flux at inner sub-control-volume face or on a boundary face
- */
- void computeFlux(PrimaryVariables &flux, const int fIdx, bool onBoundary = false) const
- {
- FluxVariables fluxVars(this->problem_(),
- this->element_(),
- this->fvGeometry_(),
- fIdx,
- this->curVolVars_(),
- onBoundary);
-
- flux = 0;
- asImp_()->computeAdvectiveFlux(flux, fluxVars);
- asImp_()->computeDiffusiveFlux(flux, fluxVars);
- Valgrind::CheckDefined(flux);
- }
- /*!
- * \brief Evaluates the advective mass flux of all components over
- * a face of a subcontrol volume.
- *
- * \param flux The advective flux over the sub-control-volume face for each component
- * \param fluxVars The flux variables at the current SCV
- */
- void computeAdvectiveFlux(PrimaryVariables &flux, const FluxVariables &fluxVars) const
- {
- ////////
- // advective fluxes of all components in all phases
- ////////
- for (unsigned int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- {
- // data attached to upstream and the downstream vertices
- // of the current phase
- const VolumeVariables &up = this->curVolVars_(fluxVars.upstreamIdx(phaseIdx));
- const VolumeVariables &dn = this->curVolVars_(fluxVars.downstreamIdx(phaseIdx));
-
- for (unsigned int compIdx = 0; compIdx < numComponents; ++compIdx)
- {
- // add advective flux of current component in current
- // phase
- unsigned int eqIdx = conti0EqIdx + compIdx;
-
- if (eqIdx != replaceCompEqIdx)
- {
- // upstream vertex
- flux[eqIdx] += fluxVars.KmvpNormal(phaseIdx)
- * (massUpwindWeight_
- * up.mobility(phaseIdx)
- * up.molarDensity(phaseIdx)
- * up.moleFraction(phaseIdx, compIdx)
- +
- (1.0 - massUpwindWeight_)
- * dn.mobility(phaseIdx)
- * dn.molarDensity(phaseIdx)
- * dn.moleFraction(phaseIdx, compIdx));
-
- Valgrind::CheckDefined(fluxVars.KmvpNormal(phaseIdx));
- Valgrind::CheckDefined(up.molarDensity(phaseIdx));
- Valgrind::CheckDefined(dn.molarDensity(phaseIdx));
- }
- else
- {
- flux[replaceCompEqIdx] += fluxVars.KmvpNormal(phaseIdx)
- * (massUpwindWeight_
- * up.molarDensity(phaseIdx)
- * up.mobility(phaseIdx)
- +
- (1.0 - massUpwindWeight_)
- * dn.molarDensity(phaseIdx)
- * dn.mobility(phaseIdx));
-
-
- Valgrind::CheckDefined(fluxVars.KmvpNormal(phaseIdx));
- Valgrind::CheckDefined(up.molarDensity(phaseIdx));
- Valgrind::CheckDefined(dn.molarDensity(phaseIdx));
- }
- }
- }
- }
-
- /*!
- * \brief Evaluates the diffusive mass flux of all components over
- * a face of a sub-control volume.
- *
- * \param flux The flux over the sub-control-volume face for each component
- * \param fluxVars The flux variables at the current sub-control-volume face
- */
- void computeDiffusiveFlux(PrimaryVariables &flux, const FluxVariables &fluxVars) const
- {
- //Loop calculates the diffusive flux for every component in a phase. The amount of moles of a component
- //(eg Air in liquid) in a phase
- //which is not the main component (eg. H2O in the liquid phase) moved from i to j equals the amount of moles moved
- //from the main component in a phase (eg. H2O in the liquid phase) from j to i. So two fluxes in each component loop
- // are calculated in the same phase.
-
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- for (int compIdx = 0; compIdx < numComponents; ++compIdx)
- {
- //add diffusive fluxes only to the component balances
- if (replaceCompEqIdx != (conti0EqIdx + compIdx))
- {
- Scalar diffCont = - fluxVars.porousDiffCoeff(phaseIdx ,compIdx)
- * fluxVars.molarDensity(phaseIdx)
- * (fluxVars.moleFractionGrad(phaseIdx, compIdx)
- * fluxVars.face().normal);
- flux[conti0EqIdx + compIdx] += diffCont;
- flux[conti0EqIdx + phaseIdx] -= diffCont;
- }
- }
- }
-
-protected:
-
- void evalPhaseStorage_(int phaseIdx)
- {
- // evaluate the storage terms of a single phase
- for (int i=0; i < this->fvGeometry_().numScv; i++)
- {
- PrimaryVariables &result = this->residual_[i];
- const ElementVolumeVariables &elemVolVars = this->curVolVars_();
- const VolumeVariables &volVars = elemVolVars[i];
-
- // compute storage term of all fluid components within all phases
- result = 0;
- for (int compIdx = 0; compIdx < numComponents; ++compIdx)
- {
- result[conti0EqIdx + compIdx] += volVars.density(phaseIdx)
- * volVars.saturation(phaseIdx)
- * volVars.massFraction(phaseIdx, compIdx)
- * volVars.porosity();
- }
- result *= this->fvGeometry_().subContVol[i].volume;
- }
- }
-
- Implementation *asImp_()
- { return static_cast<Implementation *> (this); }
- const Implementation *asImp_() const
- { return static_cast<const Implementation *> (this); }
-
-public:
- Scalar massUpwindWeight_;
-};
-
-} // end namespace
+#include <dumux/porousmediumflow/2pnc/implicit/localresidual.hh>
#endif
diff --git a/dumux/implicit/2pnc/2pncmodel.hh b/dumux/implicit/2pnc/2pncmodel.hh
index 11201d35d5..a42f648246 100644
--- a/dumux/implicit/2pnc/2pncmodel.hh
+++ b/dumux/implicit/2pnc/2pncmodel.hh
@@ -1,741 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
-* \file
-*
-* \brief Adaption of the fully implicit box scheme to the two-phase n-component flow model.
-*/
+#ifndef DUMUX_2PNC_MODEL_HH_OLD
+#define DUMUX_2PNC_MODEL_HH_OLD
-#ifndef DUMUX_2PNC_MODEL_HH
-#define DUMUX_2PNC_MODEL_HH
+#warning this header is deprecated, use dumux/porousmediumflow/2pnc/implicit/model.hh instead
-#include <dumux/porousmediumflow/implicit/velocityoutput.hh>
-
-#include "2pncproperties.hh"
-#include "2pncindices.hh"
-#include "2pnclocalresidual.hh"
-
-namespace Dumux
-{
-/*!
- * \ingroup TwoPNCModel
- * \brief Adaption of the fully implicit scheme to the
- * two-phase n-component fully implicit model.
- *
- * This model implements two-phase n-component flow of two compressible and
- * partially miscible fluids \f$\alpha \in \{ w, n \}\f$ composed of the n components
- * \f$\kappa \in \{ w, a,\cdots \}\f$. The standard multiphase Darcy
- * approach is used as the equation for the conservation of momentum:
- * \f[
- v_\alpha = - \frac{k_{r\alpha}}{\mu_\alpha} \mbox{\bf K}
- \left(\text{grad}\, p_\alpha - \varrho_{\alpha} \mbox{\bf g} \right)
- * \f]
- *
- * By inserting this into the equations for the conservation of the
- * components, one gets one transport equation for each component
- * \f{eqnarray}
- && \phi \frac{\partial (\sum_\alpha \varrho_\alpha X_\alpha^\kappa S_\alpha )}
- {\partial t}
- - \sum_\alpha \text{div} \left\{ \varrho_\alpha X_\alpha^\kappa
- \frac{k_{r\alpha}}{\mu_\alpha} \mbox{\bf K}
- (\text{grad}\, p_\alpha - \varrho_{\alpha} \mbox{\bf g}) \right\}
- \nonumber \\ \nonumber \\
- &-& \sum_\alpha \text{div} \left\{{\bf D_{\alpha, pm}^\kappa} \varrho_{\alpha} \text{grad}\, X^\kappa_{\alpha} \right\}
- - \sum_\alpha q_\alpha^\kappa = 0 \qquad \kappa \in \{w, a,\cdots \} \, ,
- \alpha \in \{w, g\}
- \f}
- *
- * All equations are discretized using a vertex-centered finite volume (box)
- * or cell-centered finite volume scheme (this is not done for 2pnc approach yet, however possible) as
- * spatial and the implicit Euler method as time discretization.
- *
- * By using constitutive relations for the capillary pressure \f$p_c =
- * p_n - p_w\f$ and relative permeability \f$k_{r\alpha}\f$ and taking
- * advantage of the fact that \f$S_w + S_n = 1\f$ and \f$X^\kappa_w + X^\kappa_n = 1\f$, the number of
- * unknowns can be reduced to number of components.
- *
- * The used primary variables are, like in the two-phase model, either \f$p_w\f$ and \f$S_n\f$
- * or \f$p_n\f$ and \f$S_w\f$. The formulation which ought to be used can be
- * specified by setting the <tt>Formulation</tt> property to either
- * TwoPTwoCIndices::pWsN or TwoPTwoCIndices::pNsW. By
- * default, the model uses \f$p_w\f$ and \f$S_n\f$.
- *
- * Moreover, the second primary variable depends on the phase state, since a
- * primary variable switch is included. The phase state is stored for all nodes
- * of the system. The model is uses mole fractions.
- *Following cases can be distinguished:
- * <ul>
- * <li> Both phases are present: The saturation is used (either \f$S_n\f$ or \f$S_w\f$, dependent on the chosen <tt>Formulation</tt>),
- * as long as \f$ 0 < S_\alpha < 1\f$</li>.
- * <li> Only wetting phase is present: The mass fraction of, e.g., air in the wetting phase \f$X^a_w\f$ is used,
- * as long as the maximum mass fraction is not exceeded (\f$X^a_w<X^a_{w,max}\f$)</li>
- * <li> Only non-wetting phase is present: The mass fraction of, e.g., water in the non-wetting phase, \f$X^w_n\f$, is used,
- * as long as the maximum mass fraction is not exceeded (\f$X^w_n<X^w_{n,max}\f$)</li>
- * </ul>
- */
-
-template<class TypeTag>
-class TwoPNCModel: public GET_PROP_TYPE(TypeTag, BaseModel)
-{
- typedef typename GET_PROP_TYPE(TypeTag, BaseModel) ParentType;
-
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
- typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
-
- typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
- typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
- typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
- typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
- typedef typename GET_PROP_TYPE(TypeTag, SolutionVector) SolutionVector;
- typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
-
- enum { dim = GridView::dimension };
- enum { dimWorld = GridView::dimensionworld };
-
- enum { numEq = GET_PROP_VALUE(TypeTag, NumEq) };
- enum { numPhases = GET_PROP_VALUE(TypeTag, NumPhases) };
- enum { numComponents = GET_PROP_VALUE(TypeTag, NumComponents) };
- enum { numMajorComponents = GET_PROP_VALUE(TypeTag, NumMajorComponents) };
-
- enum {
- pressureIdx = Indices::pressureIdx,
- switchIdx = Indices::switchIdx
- };
- enum {
- wPhaseIdx = Indices::wPhaseIdx,
- nPhaseIdx = Indices::nPhaseIdx
- };
- enum {
- wCompIdx = FluidSystem::wCompIdx,
- nCompIdx = FluidSystem::nCompIdx
- };
- enum {
- wPhaseOnly = Indices::wPhaseOnly,
- nPhaseOnly = Indices::nPhaseOnly,
- bothPhases = Indices::bothPhases
- };
- enum {
- plSg = TwoPNCFormulation::plSg,
- pgSl = TwoPNCFormulation::pgSl,
- formulation = GET_PROP_VALUE(TypeTag, Formulation)
- };
-
- typedef CompositionalFluidState<Scalar, FluidSystem> FluidState;
-
- typedef typename GridView::template Codim<dim>::Entity Vertex;
- typedef typename GridView::template Codim<0>::Entity Element;
-
- typedef Dune::FieldVector<Scalar, dimWorld> GlobalPosition;
- typedef typename GridView::ctype CoordScalar;
- typedef Dune::FieldMatrix<CoordScalar, dimWorld, dimWorld> Tensor;
-
- enum { isBox = GET_PROP_VALUE(TypeTag, ImplicitIsBox) };
- enum { dofCodim = isBox ? dim : 0 };
-
-public:
- /*!
- * \brief Initialize the static data with the initial solution.
- *
- * \param problem The problem to be solved
- */
- void init(Problem &problem)
- {
- ParentType::init(problem);
-
- unsigned numDofs = this->numDofs();
-
- staticDat_.resize(numDofs);
-
- setSwitched_(false);
-
- for (const auto& element : Dune::elements(this->gridView_()))
- {
- if (!isBox) // i.e. cell-centered discretization
- {
- int dofIdxGlobal = this->dofMapper().index(element);
- const GlobalPosition &globalPos = element.geometry().center();
-
- // initialize phase presence
- staticDat_[dofIdxGlobal].phasePresence
- = this->problem_().initialPhasePresence(*(this->gridView_().template begin<dim>()),
- dofIdxGlobal, globalPos);
- staticDat_[dofIdxGlobal].wasSwitched = false;
-
- staticDat_[dofIdxGlobal].oldPhasePresence
- = staticDat_[dofIdxGlobal].phasePresence;
- }
- }
-
- if (isBox) // i.e. vertex-centered discretization
- {
- for (const auto& vertex : Dune::vertices(this->gridView_()))
- {
- int dofIdxGlobal = this->dofMapper().index(vertex);
- const GlobalPosition &globalPos = vertex.geometry().corner(0);
-
- // initialize phase presence
- staticDat_[dofIdxGlobal].phasePresence
- = this->problem_().initialPhasePresence(vertex, dofIdxGlobal,
- globalPos);
- staticDat_[dofIdxGlobal].wasSwitched = false;
-
- staticDat_[dofIdxGlobal].oldPhasePresence
- = staticDat_[dofIdxGlobal].phasePresence;
- }
- }
- }
-
- /*!
- * \brief Compute the total storage of all conservation quantities in one phase
- *
- * \param storage Contains the storage of each component in one phase
- * \param phaseIdx The phase index
- */
- void globalPhaseStorage(PrimaryVariables &storage, int phaseIdx)
- {
- storage = 0;
-
- for (const auto& element : Dune::elements(this->gridView_()))
- {
- if(element.partitionType() == Dune::InteriorEntity)
- {
- this->localResidual().evalPhaseStorage(element, phaseIdx);
-
- for (unsigned int i = 0; i < this->localResidual().storageTerm().size(); ++i)
- storage += this->localResidual().storageTerm()[i];
- }
- }
-
- this->gridView_().comm().sum(storage);
- }
-
- /*!
- * \brief Called by the update() method if applying the newton
- * method was unsuccessful.
- */
- void updateFailed()
- {
- ParentType::updateFailed();
-
- setSwitched_(false);
- resetPhasePresence_();
- }
-
- /*!
- * \brief Called by the problem if a time integration was
- * successful, post processing of the solution is done and the
- * result has been written to disk.
- *
- * This should prepare the model for the next time integration.
- */
- void advanceTimeLevel()
- {
- ParentType::advanceTimeLevel();
-
- // update the phase state
- updateOldPhasePresence_();
- setSwitched_(false);
- }
-
- /*!
- * \brief Return true if the primary variables were switched for
- * at least one vertex after the last timestep.
- */
- bool switched() const
- {
- return switchFlag_;
- }
-
- /*!
- * \brief Returns the phase presence of the current or the old solution of a vertex.
- *
- * \param globalVertexIdx The global vertex index
- * \param oldSol Evaluate function with solution of current or previous time step
- */
- int phasePresence(int globalVertexIdx, bool oldSol) const
- {
- return oldSol ? staticDat_[globalVertexIdx].oldPhasePresence
- : staticDat_[globalVertexIdx].phasePresence;
- }
-
- /*!
- * \brief Append all quantities of interest which can be derived
- * from the solution of the current time step to the VTK
- * writer.
- *
- * \param sol The solution vector
- * \param writer The writer for multi-file VTK datasets
- */
- template<class MultiWriter>
- void addOutputVtkFields(const SolutionVector &sol,
- MultiWriter &writer)
- {
-
- typedef Dune::BlockVector<Dune::FieldVector<Scalar, 1> > ScalarField;
- typedef Dune::BlockVector<Dune::FieldVector<Scalar, dim> > VectorField;
-
- // get the number of degrees of freedom
- unsigned numDofs = this->numDofs();
-
- ScalarField *Sg = writer.allocateManagedBuffer (numDofs);
- ScalarField *Sl = writer.allocateManagedBuffer (numDofs);
- ScalarField *pg = writer.allocateManagedBuffer (numDofs);
- ScalarField *pl = writer.allocateManagedBuffer (numDofs);
- ScalarField *pc = writer.allocateManagedBuffer (numDofs);
- ScalarField *rhoL = writer.allocateManagedBuffer (numDofs);
- ScalarField *rhoG = writer.allocateManagedBuffer (numDofs);
- ScalarField *mobL = writer.allocateManagedBuffer (numDofs);
- ScalarField *mobG = writer.allocateManagedBuffer (numDofs);
- ScalarField *temperature = writer.allocateManagedBuffer (numDofs);
- ScalarField *poro = writer.allocateManagedBuffer (numDofs);
- ScalarField *boxVolume = writer.allocateManagedBuffer (numDofs);
- VectorField *velocityN = writer.template allocateManagedBuffer<double, dim>(numDofs);
- VectorField *velocityW = writer.template allocateManagedBuffer<double, dim>(numDofs);
- ImplicitVelocityOutput<TypeTag> velocityOutput(this->problem_());
-
- if (velocityOutput.enableOutput()) // check if velocity output is demanded
- {
- // initialize velocity fields
- for (unsigned int i = 0; i < numDofs; ++i)
- {
- (*velocityN)[i] = Scalar(0);
- (*velocityW)[i] = Scalar(0);
- }
- }
-
- ScalarField *moleFraction[numPhases][numComponents];
- for (int i = 0; i < numPhases; ++i)
- for (int j = 0; j < numComponents; ++j)
- moleFraction[i][j] = writer.allocateManagedBuffer(numDofs);
-
- ScalarField *molarity[numComponents];
- for (int j = 0; j < numComponents ; ++j)
- molarity[j] = writer.allocateManagedBuffer(numDofs);
-
- ScalarField *Perm[dim];
- for (int j = 0; j < dim; ++j) //Permeability only in main directions xx and yy
- Perm[j] = writer.allocateManagedBuffer(numDofs);
-
- *boxVolume = 0;
-
- unsigned numElements = this->gridView_().size(0);
- ScalarField *rank = writer.allocateManagedBuffer (numElements);
-
- FVElementGeometry fvGeometry;
- VolumeVariables volVars;
- ElementVolumeVariables elemVolVars;
-
- for (const auto& element : Dune::elements(this->gridView_()))
- {
- int eIdxGlobal = this->problem_().elementMapper().index(element);
- (*rank)[eIdxGlobal] = this->gridView_().comm().rank();
- fvGeometry.update(this->gridView_(), element);
-
- elemVolVars.update(this->problem_(),
- element,
- fvGeometry,
- false /* oldSol? */);
-
- for (int scvIdx = 0; scvIdx < fvGeometry.numScv; ++scvIdx)
- {
- int dofIdxGlobal = this->dofMapper().subIndex(element, scvIdx, dofCodim);
-
- volVars.update(sol[dofIdxGlobal],
- this->problem_(),
- element,
- fvGeometry,
- scvIdx,
- false);
-
- GlobalPosition globalPos = fvGeometry.subContVol[scvIdx].global;
- (*Sg)[dofIdxGlobal] = elemVolVars[scvIdx].saturation(nPhaseIdx);
- (*Sl)[dofIdxGlobal] = elemVolVars[scvIdx].saturation(wPhaseIdx);
- (*pg)[dofIdxGlobal] = elemVolVars[scvIdx].pressure(nPhaseIdx);
- (*pl)[dofIdxGlobal] = elemVolVars[scvIdx].pressure(wPhaseIdx);
- (*pc)[dofIdxGlobal] = elemVolVars[scvIdx].capillaryPressure();
- (*rhoL)[dofIdxGlobal] = elemVolVars[scvIdx].density(wPhaseIdx);
- (*rhoG)[dofIdxGlobal] = elemVolVars[scvIdx].density(nPhaseIdx);
- (*mobL)[dofIdxGlobal] = elemVolVars[scvIdx].mobility(wPhaseIdx);
- (*mobG)[dofIdxGlobal] = elemVolVars[scvIdx].mobility(nPhaseIdx);
- (*boxVolume)[dofIdxGlobal] += fvGeometry.subContVol[scvIdx].volume;
- (*poro)[dofIdxGlobal] = elemVolVars[scvIdx].porosity();
- (*temperature)[dofIdxGlobal] = elemVolVars[scvIdx].temperature();
-
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- {
- for (int compIdx = 0; compIdx < numComponents; ++compIdx)
- {
- (*moleFraction[phaseIdx][compIdx])[dofIdxGlobal]= volVars.moleFraction(phaseIdx,compIdx);
- Valgrind::CheckDefined((*moleFraction[phaseIdx][compIdx])[dofIdxGlobal]);
- }
- }
- for (int compIdx = 0; compIdx < numComponents; ++compIdx)
- (*molarity[compIdx])[dofIdxGlobal] = (volVars.molarity(wPhaseIdx, compIdx));
-
- Tensor K = perm_(this->problem_().spatialParams().intrinsicPermeability(element, fvGeometry, scvIdx));
-
- for (int j = 0; j<dim; ++j)
- (*Perm[j])[dofIdxGlobal] = K[j][j] /* volVars.permFactor()*/;
- };
-
- // velocity output
- if(velocityOutput.enableOutput()){
- velocityOutput.calculateVelocity(*velocityW, elemVolVars, fvGeometry, element, wPhaseIdx);
- velocityOutput.calculateVelocity(*velocityN, elemVolVars, fvGeometry, element, nPhaseIdx);
- }
-
- } // loop over element
-
- writer.attachDofData(*Sg, "Sg", isBox);
- writer.attachDofData(*Sl, "Sl", isBox);
- writer.attachDofData(*pg, "pg", isBox);
- writer.attachDofData(*pl, "pl", isBox);
- writer.attachDofData(*pc, "pc", isBox);
- writer.attachDofData(*rhoL, "rhoL", isBox);
- writer.attachDofData(*rhoG, "rhoG", isBox);
- writer.attachDofData(*mobL, "mobL", isBox);
- writer.attachDofData(*mobG, "mobG", isBox);
- writer.attachDofData(*poro, "porosity", isBox);
- writer.attachDofData(*temperature, "temperature", isBox);
- writer.attachDofData(*boxVolume, "boxVolume", isBox);
- writer.attachDofData(*Perm[0], "Kxx", isBox);
- if (dim >= 2)
- writer.attachDofData(*Perm[1], "Kyy", isBox);
- if (dim == 3)
- writer.attachDofData(*Perm[2], "Kzz", isBox);
-
- for (int i = 0; i < numPhases; ++i)
- {
- for (int j = 0; j < numComponents; ++j)
- {
- std::ostringstream oss;
- oss << "x"
- << FluidSystem::componentName(j)
- << FluidSystem::phaseName(i);
- writer.attachDofData(*moleFraction[i][j], oss.str().c_str(), isBox);
- }
- }
-
- for (int j = 0; j < numComponents; ++j)
- {
- std::ostringstream oss;
- oss << "m^w_"
- << FluidSystem::componentName(j);
- writer.attachDofData(*molarity[j], oss.str().c_str(), isBox);
- }
-
- if (velocityOutput.enableOutput()) // check if velocity output is demanded
- {
- writer.attachDofData(*velocityW, "velocityW", isBox, dim);
- writer.attachDofData(*velocityN, "velocityN", isBox, dim);
- }
-
- writer.attachCellData(*rank, "process rank");
- }
-
- /*!
- * \brief Write the current solution to a restart file.
- *
- * \param outStream The output stream of one vertex for the restart file
- * \param entity The Entity
- */
- template<class Entity>
- void serializeEntity(std::ostream &outStream, const Entity &entity)
- {
- // write primary variables
- ParentType::serializeEntity(outStream, entity);
- int dofIdxGlobal = this->dofMapper().index(entity);
-
- if (!outStream.good())
- DUNE_THROW(Dune::IOError, "Could not serialize vertex " << dofIdxGlobal);
-
- outStream << staticDat_[dofIdxGlobal].phasePresence << " ";
- }
-
- /*!
- * \brief Reads the current solution for a vertex from a restart
- * file.
- *
- * \param inStream The input stream of one vertex from the restart file
- * \param entity The Entity
- */
- template<class Entity>
- void deserializeEntity(std::istream &inStream, const Entity &entity)
- {
- // read primary variables
- ParentType::deserializeEntity(inStream, entity);
- int dofIdxGlobal = this->dofMapper().index(entity);
-
- if (!inStream.good())
- DUNE_THROW(Dune::IOError,
- "Could not deserialize vertex " << dofIdxGlobal);
-
- inStream >> staticDat_[dofIdxGlobal].phasePresence;
- staticDat_[dofIdxGlobal].oldPhasePresence
- = staticDat_[dofIdxGlobal].phasePresence;
-
- }
-
- /*!
- * \brief Update the static data of all vertices in the grid.
- *
- * \param curGlobalSol The current global solution
- * \param oldGlobalSol The previous global solution
- */
- void updateStaticData(SolutionVector &curGlobalSol,
- const SolutionVector &oldGlobalSol)
- {
- bool wasSwitched = false;
-
- for (unsigned i = 0; i < staticDat_.size(); ++i)
- staticDat_[i].visited = false;
-
- FVElementGeometry fvGeometry;
- static VolumeVariables volVars;
- for (const auto& element : Dune::elements(this->gridView_()))
- {
- fvGeometry.update(this->gridView_(), element);
- for (int scvIdx = 0; scvIdx < fvGeometry.numScv; ++scvIdx)
- {
- int dofIdxGlobal = this->dofMapper().subIndex(element, scvIdx, dim);
-
- if (staticDat_[dofIdxGlobal].visited)
- continue;
-
- staticDat_[dofIdxGlobal].visited = true;
- volVars.update(curGlobalSol[dofIdxGlobal],
- this->problem_(),
- element,
- fvGeometry,
- scvIdx,
- false);
- const GlobalPosition &global = element.geometry().corner(scvIdx);
- if (primaryVarSwitch_(curGlobalSol, volVars, dofIdxGlobal, global))
- wasSwitched = true;
- }
- }
-
- // make sure that if there was a variable switch in an
- // other partition we will also set the switch flag
- // for our partition.
- wasSwitched = this->gridView_().comm().max(wasSwitched);
-
- setSwitched_(wasSwitched);
- }
-
-protected:
- /*!
- * \brief Data which is attached to each vertex and is not only
- * stored locally.
- */
- struct StaticVars
- {
- int phasePresence;
- bool wasSwitched;
-
- int oldPhasePresence;
- bool visited;
- };
-
- Tensor perm_(Scalar perm)
- {
- Tensor K(0.0);
-
- for(int i=0; i<dim; i++)
- K[i][i] = perm;
-
- return K;
- }
-
- Tensor perm_(Tensor perm)
- {
- return perm;
- }
-
- /*!
- * \brief Reset the current phase presence of all vertices to the old one.
- *
- * This is done after an update failed.
- */
- void resetPhasePresence_()
- {
- int numDofs = this->gridView_().size(dim);
- for (int i = 0; i < numDofs; ++i)
- {
- staticDat_[i].phasePresence
- = staticDat_[i].oldPhasePresence;
- staticDat_[i].wasSwitched = false;
- }
- }
-
- /*!
- * \brief Set the old phase of all verts state to the current one.
- */
- void updateOldPhasePresence_()
- {
- int numDofs = this->gridView_().size(dim);
- for (int i = 0; i < numDofs; ++i)
- {
- staticDat_[i].oldPhasePresence
- = staticDat_[i].phasePresence;
- staticDat_[i].wasSwitched = false;
- }
- }
-
- /*!
- * \brief Set whether there was a primary variable switch after in
- * the last timestep.
- */
- void setSwitched_(bool yesno)
- {
- switchFlag_ = yesno;
- }
-
- // perform variable switch at a vertex; Returns true if a
- // variable switch was performed.
- bool primaryVarSwitch_(SolutionVector &globalSol,
- const VolumeVariables &volVars, int dofIdxGlobal,
- const GlobalPosition &globalPos)
- {
-
- // evaluate primary variable switch
- bool wouldSwitch = false;
- int phasePresence = staticDat_[dofIdxGlobal].phasePresence;
- int newPhasePresence = phasePresence;
-
- //check if a primary variable switch is necessary
- if (phasePresence == bothPhases)
- {
- Scalar Smin = 0; //saturation threshold
- if (staticDat_[dofIdxGlobal].wasSwitched)
- Smin = -0.01;
-
- //if saturation of liquid phase is smaller 0 switch
- if (volVars.saturation(wPhaseIdx) <= Smin)
- {
- wouldSwitch = true;
- //liquid phase has to disappear
- std::cout << "Liquid Phase disappears at vertex " << dofIdxGlobal
- << ", coordinated: " << globalPos << ", Sl: "
- << volVars.saturation(wPhaseIdx) << std::endl;
- newPhasePresence = nPhaseOnly;
-
- //switch not depending on formulation
- //switch "Sl" to "xgH20"
- globalSol[dofIdxGlobal][switchIdx]
- = volVars.moleFraction(nPhaseIdx, wCompIdx /*H2O*/);
-
- //switch all secondary components to mole fraction in gas phase
- for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx)
- globalSol[dofIdxGlobal][compIdx] = volVars.moleFraction(nPhaseIdx,compIdx);
- }
- //if saturation of gas phase is smaller than 0 switch
- else if (volVars.saturation(nPhaseIdx) <= Smin)
- {
- wouldSwitch = true;
- //gas phase has to disappear
- std::cout << "Gas Phase disappears at vertex " << dofIdxGlobal
- << ", coordinated: " << globalPos << ", Sg: "
- << volVars.saturation(nPhaseIdx) << std::endl;
- newPhasePresence = wPhaseOnly;
-
- //switch "Sl" to "xlN2"
- globalSol[dofIdxGlobal][switchIdx]
- = volVars.moleFraction(wPhaseIdx, nCompIdx /*N2*/);
- }
- }
- else if (phasePresence == nPhaseOnly)
- {
- Scalar xlmax = 1;
- Scalar sumxl = 0;
- //Calculate sum of mole fractions in the hypothetical liquid phase
- for (int compIdx = 0; compIdx < numComponents; compIdx++)
- {
- sumxl += volVars.moleFraction(wPhaseIdx, compIdx);
- }
- if (sumxl > xlmax)
- wouldSwitch = true;
- if (staticDat_[dofIdxGlobal].wasSwitched)
- xlmax *=1.02;
- //liquid phase appears if sum is larger than one
- if (sumxl/*sum of mole fractions*/ > xlmax/*1*/)
- {
- std::cout << "Liquid Phase appears at vertex " << dofIdxGlobal
- << ", coordinated: " << globalPos << ", sumxl: "
- << sumxl << std::endl;
- newPhasePresence = bothPhases;
-
- //saturation of the liquid phase set to 0.0001 (if formulation pgSl and vice versa)
- if (formulation == pgSl)
- globalSol[dofIdxGlobal][switchIdx] = 0.0001;
- else if (formulation == plSg)
- globalSol[dofIdxGlobal][switchIdx] = 0.9999;
-
- //switch all secondary components back to liquid mole fraction
- for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx)
- globalSol[dofIdxGlobal][compIdx] = volVars.moleFraction(wPhaseIdx,compIdx);
- }
- }
- else if (phasePresence == wPhaseOnly)
- {
- Scalar xgmax = 1;
- Scalar sumxg = 0;
- //Calculate sum of mole fractions in the hypothetical liquid phase
- for (int compIdx = 0; compIdx < numComponents; compIdx++)
- {
- sumxg += volVars.moleFraction(nPhaseIdx, compIdx);
- }
- if (sumxg > xgmax)
- wouldSwitch = true;
- if (staticDat_[dofIdxGlobal].wasSwitched)
- xgmax *=1.02;
- //liquid phase appears if sum is larger than one
- if (sumxg > xgmax)
- {
- std::cout << "Gas Phase appears at vertex " << dofIdxGlobal
- << ", coordinated: " << globalPos << ", sumxg: "
- << sumxg << std::endl;
- newPhasePresence = bothPhases;
- //saturation of the liquid phase set to 0.9999 (if formulation pgSl and vice versa)
- if (formulation == pgSl)
- globalSol[dofIdxGlobal][switchIdx] = 0.9999;
- else if (formulation == plSg)
- globalSol[dofIdxGlobal][switchIdx] = 0.0001;
-
- }
- }
-
-
- staticDat_[dofIdxGlobal].phasePresence = newPhasePresence;
- staticDat_[dofIdxGlobal].wasSwitched = wouldSwitch;
- return phasePresence != newPhasePresence;
- }
-
- // parameters given in constructor
- std::vector<StaticVars> staticDat_;
- bool switchFlag_;
-};
-
-}
-
-#include "2pncpropertydefaults.hh"
+#include <dumux/porousmediumflow/2pnc/implicit/model.hh>
#endif
diff --git a/dumux/implicit/2pnc/2pncnewtoncontroller.hh b/dumux/implicit/2pnc/2pncnewtoncontroller.hh
index 2f970c83b1..d50d55380e 100644
--- a/dumux/implicit/2pnc/2pncnewtoncontroller.hh
+++ b/dumux/implicit/2pnc/2pncnewtoncontroller.hh
@@ -1,105 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \file
- * \brief A two-phase n-component specific controller for the newton solver.
- */
-#ifndef DUMUX_2PNC_NEWTON_CONTROLLER_HH
-#define DUMUX_2PNC_NEWTON_CONTROLLER_HH
+#ifndef DUMUX_2PNC_NEWTON_CONTROLLER_HH_OLD
+#define DUMUX_2PNC_NEWTON_CONTROLLER_HH_OLD
-#include "2pncproperties.hh"
+#warning this header is deprecated, use dumux/porousmediumflow/2pnc/implicit/newtoncontroller.hh instead
-#include <dumux/nonlinear/newtoncontroller.hh>
-
-namespace Dumux {
-/*!
- * \ingroup Newton
- * \ingroup TwoPNCModel
- * \brief A two-phase n-component specific controller for the newton solver.
- *
- * This controller 'knows' what a 'physically meaningful' solution is
- * which allows the newton method to abort quicker if the solution is
- * way out of bounds.
- */
-template <class TypeTag>
-class TwoPNCNewtonController : public NewtonController<TypeTag>
-{
- typedef NewtonController<TypeTag> ParentType;
- typedef typename GET_PROP_TYPE(TypeTag, PTAG(Problem)) Problem;
- typedef typename GET_PROP_TYPE(TypeTag, PTAG(SolutionVector)) SolutionVector;
-
-public:
- TwoPNCNewtonController(Problem &problem)
- : ParentType(problem)
- {};
-
-
- /*!
- * \brief
- * Suggest a new time step size based either on the number of newton
- * iterations required or on the variable switch
- *
- * \param uCurrentIter The current global solution vector
- * \param uLastIter The previous global solution vector
- *
- */
- void newtonEndStep(SolutionVector &uCurrentIter,
- const SolutionVector &uLastIter)
- {
- int succeeded;
- try {
- // call the method of the base class
- this->method().model().updateStaticData(uCurrentIter, uLastIter);
- ParentType::newtonEndStep(uCurrentIter, uLastIter);
-
- succeeded = 1;
- if (this->gridView_().comm().size() > 1)
- succeeded = this->gridView_().comm().min(succeeded);
- }
- catch (Dumux::NumericalProblem &e)
- {
- std::cout << "rank " << this->problem_().gridView().comm().rank()
- << " caught an exception while updating:" << e.what()
- << "\n";
- succeeded = 0;
- if (this->gridView_().comm().size() > 1)
- succeeded = this->gridView_().comm().min(succeeded);
- }
-
- if (!succeeded) {
- DUNE_THROW(NumericalProblem,
- "A process did not succeed in linearizing the system");
- }
- }
-
- /*!
- * \brief Returns true if the current solution can be considered to
- * be accurate enough
- */
- bool newtonConverged()
- {
- if (this->method().model().switched())
- return false;
-
- return ParentType::newtonConverged();
- }
-};
-}
+#include <dumux/porousmediumflow/2pnc/implicit/newtoncontroller.hh>
#endif
diff --git a/dumux/implicit/2pnc/2pncproperties.hh b/dumux/implicit/2pnc/2pncproperties.hh
index 44e495060a..1ecb36db30 100644
--- a/dumux/implicit/2pnc/2pncproperties.hh
+++ b/dumux/implicit/2pnc/2pncproperties.hh
@@ -1,82 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \ingroup Properties
- * \ingroup ImplicitProperties
- * \ingroup TwoPNCModel
- *
- * \file
- *
- * \brief Defines the properties required for the two-phase n-component
- * fully implicit model.
- */
-#ifndef DUMUX_2PNC_PROPERTIES_HH
-#define DUMUX_2PNC_PROPERTIES_HH
+#ifndef DUMUX_2PNC_PROPERTIES_HH_OLD
+#define DUMUX_2PNC_PROPERTIES_HH_OLD
-#include <dumux/implicit/box/properties.hh>
-#include <dumux/implicit/cellcentered/properties.hh>
-#include <dumux/porousmediumflow/nonisothermal/implicit/properties.hh>
+#warning this header is deprecated, use dumux/porousmediumflow/2pnc/implicit/properties.hh instead
-namespace Dumux
-{
-
-namespace Properties
-{
-//////////////////////////////////////////////////////////////////
-// Type tags
-//////////////////////////////////////////////////////////////////
-
-//! The type tag for the implicit isothermal two phase n component problems
-NEW_TYPE_TAG(TwoPNC);
-NEW_TYPE_TAG(BoxTwoPNC, INHERITS_FROM(BoxModel, TwoPNC));
-NEW_TYPE_TAG(CCTwoPNC, INHERITS_FROM(CCModel, TwoPNC));
-
-//! The type tag for the implicit non-isothermal two phase n component problems
-NEW_TYPE_TAG(TwoPNCNI, INHERITS_FROM(TwoPNC, NonIsothermal));
-NEW_TYPE_TAG(BoxTwoPNCNI, INHERITS_FROM(BoxModel, TwoPNCNI));
-NEW_TYPE_TAG(CCTwoPNCNI, INHERITS_FROM(CCModel, TwoPNCNI));
-
-//////////////////////////////////////////////////////////////////
-// Property tags
-//////////////////////////////////////////////////////////////////
-
-NEW_PROP_TAG(NumPhases); //!< Number of fluid phases in the system
-NEW_PROP_TAG(NumComponents); //!< Number of fluid components in the system
-NEW_PROP_TAG(NumMajorComponents); //!< Number of major fluid components which are considered in the calculation of the phase density
-NEW_PROP_TAG(TwoPNCIndices); //!< Enumerations for the 2pncMin models
-NEW_PROP_TAG(Formulation); //!< The formulation of the model
-NEW_PROP_TAG(SpatialParams); //!< The type of the spatial parameters
-NEW_PROP_TAG(FluidSystem); //!< Type of the multi-component relations
-NEW_PROP_TAG(FluidState); //!< Type of the fluid state of the 2pnc model
-NEW_PROP_TAG(Indices); //!< Enumerations for the model
-NEW_PROP_TAG(Chemistry); //!< The chemistry class with which solves equlibrium reactions
-
-NEW_PROP_TAG(MaterialLaw); //!< The material law which ought to be used (extracted from the spatial parameters)
-NEW_PROP_TAG(MaterialLawParams); //!< The parameters of the material law (extracted from the spatial parameters)
-
-NEW_PROP_TAG(ReplaceCompEqIdx); //!< The index of the total mass balance equation, if one component balance is replaced (ReplaceCompEqIdx < NumComponents)
-NEW_PROP_TAG(VtkAddVelocity); //!< Returns whether velocity vectors are written into the vtk output
-NEW_PROP_TAG(ProblemEnableGravity); //!< Returns whether gravity is considered in the problem
-NEW_PROP_TAG(ImplicitMassUpwindWeight); //!< The value of the upwind weight for the mass conservation equations
-NEW_PROP_TAG(ImplicitMobilityUpwindWeight); //!< The value of the upwind parameter for the mobility
-NEW_PROP_TAG(BaseFluxVariables); //! The base flux variables
-}
-}
+#include <dumux/porousmediumflow/2pnc/implicit/properties.hh>
#endif
diff --git a/dumux/implicit/2pnc/2pncpropertydefaults.hh b/dumux/implicit/2pnc/2pncpropertydefaults.hh
index 4d78e5f1c0..e60b1422fb 100644
--- a/dumux/implicit/2pnc/2pncpropertydefaults.hh
+++ b/dumux/implicit/2pnc/2pncpropertydefaults.hh
@@ -1,226 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \ingroup Properties
- * \ingroup ImplicitProperties
- * \ingroup TwoPNCModel
- * \file
- *
- * \brief Defines default values for most properties required by the
- * two-phase n-component fully implicit model.
- */
-#ifndef DUMUX_2PNC_PROPERTY_DEFAULTS_HH
-#define DUMUX_2PNC_PROPERTY_DEFAULTS_HH
+#ifndef DUMUX_2PNC_PROPERTY_DEFAULTS_HH_OLD
+#define DUMUX_2PNC_PROPERTY_DEFAULTS_HH_OLD
-#include "2pncindices.hh"
-#include "2pncmodel.hh"
-#include "2pncindices.hh"
-#include "2pncfluxvariables.hh"
-#include "2pncvolumevariables.hh"
-#include "2pncproperties.hh"
-#include "2pncnewtoncontroller.hh"
+#warning this header is deprecated, use dumux/porousmediumflow/2pnc/implicit/propertydefaults.hh instead
-#include <dumux/porousmediumflow/nonisothermal/implicit/propertydefaults.hh>
-#include <dumux/porousmediumflow/implicit/darcyfluxvariables.hh>
-#include <dumux/material/spatialparams/implicitspatialparams.hh>
-#include <dumux/material/fluidmatrixinteractions/2p/thermalconductivitysomerton.hh>
-
-namespace Dumux
-{
-
-namespace Properties {
-//////////////////////////////////////////////////////////////////
-// Property values
-//////////////////////////////////////////////////////////////////
-
-/*!
- * \brief Set the property for the number of components.
- *
- * We just forward the number from the fluid system
- *
- */
-SET_PROP(TwoPNC, NumComponents)
-{
-private:
- typedef typename GET_PROP_TYPE(TypeTag, PTAG(FluidSystem)) FluidSystem;
-
-public:
- static const int value = FluidSystem::numComponents;
-
-};
-//! Set as default that no component mass balance is replaced by the total mass balance
-SET_PROP(TwoPNC, ReplaceCompEqIdx)
-{
-private:
- typedef typename GET_PROP_TYPE(TypeTag, PTAG(FluidSystem)) FluidSystem;
-
-public:
- static const int value = FluidSystem::numComponents;
-};
-//! The major components belonging to the existing phases are mentioned here e.g., 2 for water and air being the major component in the liquid and gas phases in a 2 phase system
-SET_PROP(TwoPNC, NumMajorComponents)
-{
-private:
- typedef typename GET_PROP_TYPE(TypeTag, PTAG(FluidSystem)) FluidSystem;
-
-public:
- static const int value = FluidSystem::numPhases;
- static_assert(value == 2,
- "The model is restricted to two-phases, thus number of major components must also be two.");
-};
-
-/*!
- * \brief Set the property for the number of fluid phases.
- *
- * We just forward the number from the fluid system and use an static
- * assert to make sure it is 2.
- */
-SET_PROP(TwoPNC, NumPhases)
-{
-private:
- typedef typename GET_PROP_TYPE(TypeTag, PTAG(FluidSystem)) FluidSystem;
-
-public:
- static const int value = FluidSystem::numPhases;
- static_assert(value == 2,
- "Only fluid systems with 2 fluid phases are supported by the 2p-nc model!");
-};
-/*!
- * \brief Set the property for the number of equations: For each existing component one equation has to be solved.
- */
-SET_PROP(TwoPNC, NumEq)
-{
-private:
- typedef typename GET_PROP_TYPE(TypeTag, PTAG(FluidSystem)) FluidSystem;
-
-public:
- static const int value = FluidSystem::numComponents;
-};
-
-/*!
- * \brief The fluid state which is used by the volume variables to
- * store the thermodynamic state. This should be chosen
- * appropriately for the model ((non-)isothermal, equilibrium, ...).
- * This can be done in the problem.
- */
-SET_PROP(TwoPNC, FluidState){
- private:
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
- public:
- typedef Dumux::CompositionalFluidState<Scalar, FluidSystem> type;
-};
-
-//! Set the default formulation to pl-Sg: This can be over written in the problem.
-SET_INT_PROP(TwoPNC, Formulation, TwoPNCFormulation::plSg);
-
-//! Set the property for the material parameters by extracting it from the material law.
-SET_PROP(TwoPNC, MaterialLawParams)
-{
-private:
- typedef typename GET_PROP_TYPE(TypeTag, PTAG(MaterialLaw)) MaterialLaw;
-
-public:
- typedef typename MaterialLaw::Params type;
-};
-
-//! Use the 2pnc local residual
-SET_TYPE_PROP(TwoPNC, LocalResidual, TwoPNCLocalResidual<TypeTag>);
-
-//! Use the 2pnc newton controller
-SET_TYPE_PROP(TwoPNC, NewtonController, TwoPNCNewtonController<TypeTag>);
-
-//! the Model property
-SET_TYPE_PROP(TwoPNC, Model, TwoPNCModel<TypeTag>);
-
-//! the VolumeVariables property
-SET_TYPE_PROP(TwoPNC, VolumeVariables, TwoPNCVolumeVariables<TypeTag>);
-
-//! the FluxVariables property
-SET_TYPE_PROP(TwoPNC, FluxVariables, TwoPNCFluxVariables<TypeTag>);
-
-//! define the base flux variables to realize Darcy flow
-SET_TYPE_PROP(TwoPNC, BaseFluxVariables, ImplicitDarcyFluxVariables<TypeTag>);
-
-//! the upwind weight for the mass conservation equations.
-SET_SCALAR_PROP(TwoPNC, ImplicitMassUpwindWeight, 1.0);
-
-//! Set default mobility upwind weight to 1.0, i.e. fully upwind
-SET_SCALAR_PROP(TwoPNC, ImplicitMobilityUpwindWeight, 1.0);
-
-//! The indices required by the isothermal 2pnc model
-SET_TYPE_PROP(TwoPNC, Indices, TwoPNCIndices <TypeTag, /*PVOffset=*/0>);
-
-//! Use the ImplicitSpatialParams by default
-SET_TYPE_PROP(TwoPNC, SpatialParams, ImplicitSpatialParams<TypeTag>);
-
-//! Enable gravity by default
-SET_BOOL_PROP(TwoPNC, ProblemEnableGravity, true);
-
-//! Disable velocity output by default
-SET_BOOL_PROP(TwoPNC, VtkAddVelocity, false);
-
-//! Somerton is used as default model to compute the effective thermal heat conductivity
-SET_PROP(TwoPNCNI, ThermalConductivityModel)
-{
-private:
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
-public:
- typedef ThermalConductivitySomerton<Scalar, Indices> type;
-};
-
-//! temperature is already written by the isothermal model
-SET_BOOL_PROP(TwoPNCNI, NiOutputLevel, 0);
-
-//////////////////////////////////////////////////////////////////
-// Property values for isothermal model required for the general non-isothermal model
-//////////////////////////////////////////////////////////////////
-
-// set isothermal Model
-SET_TYPE_PROP(TwoPNCNI, IsothermalModel, TwoPNCModel<TypeTag>);
-
-// set isothermal FluxVariables
-SET_TYPE_PROP(TwoPNCNI, IsothermalFluxVariables, TwoPNCFluxVariables<TypeTag>);
-
-//set isothermal VolumeVariables
-SET_TYPE_PROP(TwoPNCNI, IsothermalVolumeVariables, TwoPNCVolumeVariables<TypeTag>);
-
-//set isothermal LocalResidual
-SET_TYPE_PROP(TwoPNCNI, IsothermalLocalResidual, TwoPNCLocalResidual<TypeTag>);
-
-//set isothermal Indices
-SET_TYPE_PROP(TwoPNCNI, IsothermalIndices, TwoPNCIndices<TypeTag, /*PVOffset=*/0>);
-
-//set isothermal NumEq
-SET_PROP(TwoPNCNI, IsothermalNumEq)
-{
-private:
- typedef typename GET_PROP_TYPE(TypeTag, PTAG(FluidSystem)) FluidSystem;
-
-public:
- static const int value = FluidSystem::numComponents;
-};
-
-
-}
-
-}
+#include <dumux/porousmediumflow/2pnc/implicit/propertydefaults.hh>
#endif
diff --git a/dumux/implicit/2pnc/2pncvolumevariables.hh b/dumux/implicit/2pnc/2pncvolumevariables.hh
index 2e515ba8c4..22f705ef64 100644
--- a/dumux/implicit/2pnc/2pncvolumevariables.hh
+++ b/dumux/implicit/2pnc/2pncvolumevariables.hh
@@ -1,529 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \file
- *
- * \brief Contains the quantities which are constant within a
- * finite volume in the two-phase, n-component model.
- */
-#ifndef DUMUX_2PNC_VOLUME_VARIABLES_HH
-#define DUMUX_2PNC_VOLUME_VARIABLES_HH
+#ifndef DUMUX_2PNC_VOLUME_VARIABLES_HH_OLD
+#define DUMUX_2PNC_VOLUME_VARIABLES_HH_OLD
-#include <iostream>
-#include <vector>
+#warning this header is deprecated, use dumux/porousmediumflow/2pnc/implicit/volumevariables.hh instead
-#include <dumux/implicit/model.hh>
-#include <dumux/material/fluidstates/compositionalfluidstate.hh>
-#include <dumux/common/math.hh>
-
-#include "2pncproperties.hh"
-#include "2pncindices.hh"
-#include <dumux/material/constraintsolvers/computefromreferencephase2pnc.hh>
-#include <dumux/material/constraintsolvers/miscible2pnccomposition.hh>
-
-namespace Dumux
-{
-
-/*!
- * \ingroup TwoPNCModel
- * \ingroup ImplicitVolumeVariables
- * \brief Contains the quantities which are are constant within a
- * finite volume in the two-phase, n-component model.
- */
-template <class TypeTag>
-class TwoPNCVolumeVariables : public ImplicitVolumeVariables<TypeTag>
-{
- typedef ImplicitVolumeVariables<TypeTag> ParentType;
- typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) Implementation;
-
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef typename GET_PROP_TYPE(TypeTag, Grid) Grid;
- typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
- typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
- typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
- typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
- typedef typename GET_PROP_TYPE(TypeTag, MaterialLaw) MaterialLaw;
- typedef typename GET_PROP_TYPE(TypeTag, MaterialLawParams) MaterialLawParams;
- typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
- enum
- {
- dim = GridView::dimension,
- dimWorld=GridView::dimensionworld,
-
- numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
- numComponents = GET_PROP_VALUE(TypeTag, NumComponents),
- numMajorComponents = GET_PROP_VALUE(TypeTag, NumMajorComponents),
-
- // formulations
- formulation = GET_PROP_VALUE(TypeTag, Formulation),
- plSg = TwoPNCFormulation::plSg,
- pgSl = TwoPNCFormulation::pgSl,
-
- // phase indices
- wPhaseIdx = FluidSystem::wPhaseIdx,
- nPhaseIdx = FluidSystem::nPhaseIdx,
-
- // component indices
- wCompIdx = FluidSystem::wCompIdx,
- nCompIdx = FluidSystem::nCompIdx,
-
- // phase presence enums
- nPhaseOnly = Indices::nPhaseOnly,
- wPhaseOnly = Indices::wPhaseOnly,
- bothPhases = Indices::bothPhases,
-
- // primary variable indices
- pressureIdx = Indices::pressureIdx,
- switchIdx = Indices::switchIdx,
-
- };
-
- typedef typename GridView::template Codim<0>::Entity Element;
- typedef typename Grid::ctype CoordScalar;
- typedef Dumux::Miscible2pNCComposition<Scalar, FluidSystem> Miscible2pNCComposition;
- typedef Dumux::ComputeFromReferencePhase2pNC<Scalar, FluidSystem> ComputeFromReferencePhase2pNC;
-
- enum { isBox = GET_PROP_VALUE(TypeTag, ImplicitIsBox) };
- enum { dofCodim = isBox ? dim : 0 };
-public:
-
- typedef typename GET_PROP_TYPE(TypeTag, FluidState) FluidState;
-
- /*!
- * \copydoc ImplicitVolumeVariables::update
- * \param primaryVariables The primary Variables
- */
- void update(const PrimaryVariables &primaryVariables,
- const Problem &problem,
- const Element &element,
- const FVElementGeometry &fvGeometry,
- int scvIdx,
- bool isOldSol)
- {
- ParentType::update(primaryVariables,
- problem,
- element,
- fvGeometry,
- scvIdx,
- isOldSol);
-
- completeFluidState(primaryVariables, problem, element, fvGeometry, scvIdx, fluidState_, isOldSol);
-
- /////////////
- // calculate the remaining quantities
- /////////////
- const MaterialLawParams &materialParams = problem.spatialParams().materialLawParams(element, fvGeometry, scvIdx);
-
- // Second instance of a parameter cache.
- // Could be avoided if diffusion coefficients also
- // became part of the fluid state.
- typename FluidSystem::ParameterCache paramCache;
- paramCache.updateAll(fluidState_);
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- {// relative permeabilities
- Scalar kr;
- if (phaseIdx == wPhaseIdx)
- kr = MaterialLaw::krw(materialParams, saturation(wPhaseIdx));
- else // ATTENTION: krn requires the liquid saturation
- // as parameter!
- kr = MaterialLaw::krn(materialParams, saturation(wPhaseIdx));
- mobility_[phaseIdx] = kr / fluidState_.viscosity(phaseIdx);
- Valgrind::CheckDefined(mobility_[phaseIdx]);
- int compIIdx = phaseIdx;
- for(int compIdx = 0; compIdx < numComponents; ++compIdx)
- {
- int compJIdx = compIdx;
- // binary diffusion coefficents
- diffCoeff_[phaseIdx][compIdx] = 0.0;
- if(compIIdx!= compJIdx)
- diffCoeff_[phaseIdx][compIdx] = FluidSystem::binaryDiffusionCoefficient(fluidState_,
- paramCache,
- phaseIdx,
- compIIdx,
- compJIdx);
- Valgrind::CheckDefined(diffCoeff_[phaseIdx][compIdx]);
- }
- }
-
- // porosity
- porosity_ = problem.spatialParams().porosity(element,
- fvGeometry,
- scvIdx);
- Valgrind::CheckDefined(porosity_);
- // energy related quantities not contained in the fluid state
-
- asImp_().updateEnergy_(primaryVariables, problem,element, fvGeometry, scvIdx, isOldSol);
- }
-
- /*!
- * \copydoc ImplicitModel::completeFluidState
- * \param isOldSol Specifies whether this is the previous solution or the current one
- * \param primaryVariables The primary Variables
- */
- static void completeFluidState(const PrimaryVariables& primaryVariables,
- const Problem& problem,
- const Element& element,
- const FVElementGeometry& fvGeometry,
- int scvIdx,
- FluidState& fluidState,
- bool isOldSol = false)
-
- {
- Scalar t = Implementation::temperature_(primaryVariables, problem, element,
- fvGeometry, scvIdx);
- fluidState.setTemperature(t);
-
- int dofIdxGlobal = problem.model().dofMapper().subIndex(element, scvIdx, dofCodim);
- int phasePresence = problem.model().phasePresence(dofIdxGlobal, isOldSol);
-
- /////////////
- // set the saturations
- /////////////
-
- Scalar Sg;
- if (phasePresence == nPhaseOnly)
- Sg = 1.0;
- else if (phasePresence == wPhaseOnly) {
- Sg = 0.0;
- }
- else if (phasePresence == bothPhases) {
- if (formulation == plSg)
- Sg = primaryVariables[switchIdx];
- else if (formulation == pgSl)
- Sg = 1.0 - primaryVariables[switchIdx];
- else DUNE_THROW(Dune::InvalidStateException, "Formulation: " << formulation << " is invalid.");
- }
- else DUNE_THROW(Dune::InvalidStateException, "phasePresence: " << phasePresence << " is invalid.");
- fluidState.setSaturation(nPhaseIdx, Sg);
- fluidState.setSaturation(wPhaseIdx, 1.0 - Sg);
-
- /////////////
- // set the pressures of the fluid phases
- /////////////
-
- // calculate capillary pressure
- const MaterialLawParams &materialParams
- = problem.spatialParams().materialLawParams(element, fvGeometry, scvIdx);
- Scalar pc = MaterialLaw::pc(materialParams, 1 - Sg);
-
- // extract the pressures
- if (formulation == plSg) {
- fluidState.setPressure(wPhaseIdx, primaryVariables[pressureIdx]);
- if (primaryVariables[pressureIdx] + pc < 0.0)
- DUNE_THROW(Dumux::NumericalProblem,"Capillary pressure is too low");
- fluidState.setPressure(nPhaseIdx, primaryVariables[pressureIdx] + pc);
- }
- else if (formulation == pgSl) {
- fluidState.setPressure(nPhaseIdx, primaryVariables[pressureIdx]);
- // Here we check for (p_g - pc) in order to ensure that (p_l > 0)
- if (primaryVariables[pressureIdx] - pc < 0.0)
- {
- std::cout<< "p_g: "<< primaryVariables[pressureIdx]<<" Cap_press: "<< pc << std::endl;
- DUNE_THROW(Dumux::NumericalProblem,"Capillary pressure is too high");
- }
- fluidState.setPressure(wPhaseIdx, primaryVariables[pressureIdx] - pc);
- }
- else DUNE_THROW(Dune::InvalidStateException, "Formulation: " << formulation << " is invalid.");
-
- /////////////
- // calculate the phase compositions
- /////////////
-
- typename FluidSystem::ParameterCache paramCache;
-
- // now comes the tricky part: calculate phase composition
- if (phasePresence == bothPhases) {
- // both phases are present, phase composition results from
- // the gas <-> liquid equilibrium. This is
- // the job of the "MiscibleMultiPhaseComposition"
- // constraint solver
-
- // set the known mole fractions in the fluidState so that they
- // can be used by the Miscible2pNCComposition constraint solver
- for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx)
- {
- fluidState.setMoleFraction(wPhaseIdx, compIdx, primaryVariables[compIdx]);
- }
-
- Miscible2pNCComposition::solve(fluidState,
- paramCache,
- wPhaseIdx, //known phaseIdx
- /*setViscosity=*/true,
- /*setInternalEnergy=*/false);
- }
- else if (phasePresence == nPhaseOnly){
-
- Dune::FieldVector<Scalar, numComponents> moleFrac;
-
-
- moleFrac[wCompIdx] = primaryVariables[switchIdx];
-
- for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx)
- moleFrac[compIdx] = primaryVariables[compIdx];
-
-
- Scalar sumMoleFracNotGas = 0;
- for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx)
- sumMoleFracNotGas+=moleFrac[compIdx];
-
- sumMoleFracNotGas += moleFrac[wCompIdx];
- moleFrac[nCompIdx] = 1 - sumMoleFracNotGas;
-
-
- // Set fluid state mole fractions
- for (int compIdx=0; compIdx<numComponents; ++compIdx)
- fluidState.setMoleFraction(nPhaseIdx, compIdx, moleFrac[compIdx]);
-
-
- // calculate the composition of the remaining phases (as
- // well as the densities of all phases). this is the job
- // of the "ComputeFromReferencePhase2pNC" constraint solver
- ComputeFromReferencePhase2pNC::solve(fluidState,
- paramCache,
- nPhaseIdx,
- /*setViscosity=*/true,
- /*setInternalEnergy=*/false);
-
- }
- else if (phasePresence == wPhaseOnly){
- // only the liquid phase is present, i.e. liquid phase
- // composition is stored explicitly.
- // extract _mass_ fractions in the gas phase
- Dune::FieldVector<Scalar, numComponents> moleFrac;
-
- for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx)
- {
- moleFrac[compIdx] = primaryVariables[compIdx];
- }
- moleFrac[nCompIdx] = primaryVariables[switchIdx];
- Scalar sumMoleFracNotWater = 0;
- for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx)
- {
- sumMoleFracNotWater+=moleFrac[compIdx];
- }
- sumMoleFracNotWater += moleFrac[nCompIdx];
- moleFrac[wCompIdx] = 1 -sumMoleFracNotWater;
-
-
- // convert mass to mole fractions and set the fluid state
- for (int compIdx=0; compIdx<numComponents; ++compIdx)
- {
- fluidState.setMoleFraction(wPhaseIdx, compIdx, moleFrac[compIdx]);
- }
-
- // calculate the composition of the remaining phases (as
- // well as the densities of all phases). this is the job
- // of the "ComputeFromReferencePhase2pNC" constraint solver
- ComputeFromReferencePhase2pNC::solve(fluidState,
- paramCache,
- wPhaseIdx,
- /*setViscosity=*/true,
- /*setInternalEnergy=*/false);
- }
- paramCache.updateAll(fluidState);
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- {
- Scalar rho = FluidSystem::density(fluidState, paramCache, phaseIdx);
- Scalar mu = FluidSystem::viscosity(fluidState, paramCache, phaseIdx);
-
- fluidState.setDensity(phaseIdx, rho);
- fluidState.setViscosity(phaseIdx, mu);
- }
- }
-
- /*!
- * \brief Returns the phase state for the control-volume.
- */
- const FluidState &fluidState() const
- { return fluidState_; }
-
- /*!
- * \brief Returns the saturation of a given phase within
- * the control volume in \f$[-]\f$.
- *
- * \param phaseIdx The phase index
- */
- Scalar saturation(int phaseIdx) const
- { return fluidState_.saturation(phaseIdx); }
-
- /*!
- * \brief Returns the mass density of a given phase within the
- * control volume.
- *
- * \param phaseIdx The phase index
- */
- Scalar density(int phaseIdx) const
- {
- if (phaseIdx < numPhases)
- return fluidState_.density(phaseIdx);
-
- else
- DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx);
- }
-
- /*!
- * \brief Returns the mass density of a given phase within the
- * control volume.
- *
- * \param phaseIdx The phase index
- */
- Scalar molarDensity(int phaseIdx) const
- {
- if (phaseIdx < numPhases)
- return fluidState_.molarDensity(phaseIdx);
-
- else
- DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx);
- }
-
- /*!
- * \brief Returns the effective pressure of a given phase within
- * the control volume.
- *
- * \param phaseIdx The phase index
- */
- Scalar pressure(int phaseIdx) const
- {
- return fluidState_.pressure(phaseIdx);
- }
-
- /*!
- * \brief Returns temperature inside the sub-control volume.
- *
- * Note that we assume thermodynamic equilibrium, i.e. the
- * temperature of the rock matrix and of all fluid phases are
- * identical.
- */
- Scalar temperature() const
- { return fluidState_.temperature(/*phaseIdx=*/0); }
-
- /*!
- * \brief Returns the effective mobility of a given phase within
- * the control volume.
- *
- * \param phaseIdx The phase index
- */
- Scalar mobility(int phaseIdx) const
- {
- return mobility_[phaseIdx];
- }
-
- /*!
- * \brief Returns the effective capillary pressure within the control volume
- * in \f$[kg/(m*s^2)=N/m^2=Pa]\f$.
- */
- Scalar capillaryPressure() const
- { return fluidState_.pressure(FluidSystem::nPhaseIdx) - fluidState_.pressure(FluidSystem::wPhaseIdx); }
-
- /*!
- * \brief Returns the average porosity within the control volume.
- */
- Scalar porosity() const
- { return porosity_; }
-
-
- /*!
- * \brief Returns the binary diffusion coefficients for a phase in \f$[m^2/s]\f$.
- */
- Scalar diffCoeff(int phaseIdx, int compIdx) const
- { return diffCoeff_[phaseIdx][compIdx]; }
-
- /*!
- * \brief Returns the molarity of a component in the phase
- *
- * \param phaseIdx the index of the fluid phase
- * \param compIdx the index of the component
- */
- Scalar molarity(int phaseIdx, int compIdx) const // [moles/m^3]
- { return this->fluidState_.molarity(phaseIdx, compIdx);}
-
- /*!
- * \brief Returns the mass fraction of a component in the phase
- *
- * \param phaseIdx the index of the fluid phase
- * \param compIdx the index of the component
- */
- Scalar massFraction(int phaseIdx, int compIdx) const
- {
- return this->fluidState_.massFraction(phaseIdx, compIdx);
- }
-
- /*!
- * \brief Returns the mole fraction of a component in the phase
- *
- * \param phaseIdx the index of the fluid phase
- * \param compIdx the index of the component
- */
- Scalar moleFraction(int phaseIdx, int compIdx) const
- {
- return this->fluidState_.moleFraction(phaseIdx, compIdx);
- }
-
-protected:
-
- static Scalar temperature_(const PrimaryVariables &priVars,
- const Problem& problem,
- const Element &element,
- const FVElementGeometry &fvGeometry,
- int scvIdx)
- {
- return problem.temperatureAtPos(fvGeometry.subContVol[scvIdx].global);
- }
-
- template<class ParameterCache>
- static Scalar enthalpy_(const FluidState& fluidState,
- const ParameterCache& paramCache,
- int phaseIdx)
- {
- return 0;
- }
-
- /*!
- * \brief Called by update() to compute the energy related quantities
- */
- void updateEnergy_(const PrimaryVariables &priVars,
- const Problem &problem,
- const Element &element,
- const FVElementGeometry &fvGeometry,
- const int scvIdx,
- bool isOldSol)
- { };
-
- Scalar porosity_; //!< Effective porosity within the control volume
- Scalar mobility_[numPhases]; //!< Effective mobility within the control volume
- Scalar density_;
- FluidState fluidState_;
- Scalar theta_;
- Scalar InitialPorosity_;
- Scalar molWtPhase_[numPhases];
- Dune::FieldMatrix<Scalar, numPhases, numComponents> diffCoeff_;
-
-private:
- Implementation &asImp_()
- { return *static_cast<Implementation*>(this); }
-
- const Implementation &asImp_() const
- { return *static_cast<const Implementation*>(this); }
-
-};
-
-} // end namespace
+#include <dumux/porousmediumflow/2pnc/implicit/volumevariables.hh>
#endif
diff --git a/dumux/implicit/2pncmin/2pncminfluxvariables.hh b/dumux/implicit/2pncmin/2pncminfluxvariables.hh
index 3e0f7940f7..ce5cbcfceb 100644
--- a/dumux/implicit/2pncmin/2pncminfluxvariables.hh
+++ b/dumux/implicit/2pncmin/2pncminfluxvariables.hh
@@ -1,162 +1,8 @@
-// -**- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \file
- * \brief Contains the data which is required to calculate
- * all fluxes of components over a face of a finite volume for
- * the two-phase two-component mineralization model fully implicit model.
- */
-#ifndef DUMUX_2PNCMIN_FLUX_VARIABLES_HH
-#define DUMUX_2PNCMIN_FLUX_VARIABLES_HH
+#ifndef DUMUX_2PNCMIN_FLUX_VARIABLES_HH_OLD
+#define DUMUX_2PNCMIN_FLUX_VARIABLES_HH_OLD
-#include <dumux/common/math.hh>
-#include <dumux/common/spline.hh>
-#include <dumux/implicit/2pnc/2pncfluxvariables.hh>
-#include "2pncminproperties.hh"
+#warning this header is deprecated, use dumux/porousmediumflow/2pncmin/implicit/fluxvariables.hh instead
-namespace Dumux
-{
-
-/*!
- * \ingroup TwoPNCMinModel
- * \ingroup ImplicitFluxVariables
- * \brief Contains the data which is required to calculate
- * all fluxes of components over a face of a finite volume for
- * the two-phase n-component mineralization fully implicit model.
- *
- * This means pressure and concentration gradients, phase densities at
- * the integration point, etc.
- */
-
-template <class TypeTag>
-class TwoPNCMinFluxVariables : public TwoPNCFluxVariables<TypeTag>
-{
- typedef TwoPNCFluxVariables<TypeTag> ParentType;
- typedef TwoPNCMinFluxVariables<TypeTag> ThisType;
-
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
-
- typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
- typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
-
- typedef typename GridView::ctype CoordScalar;
- typedef typename GridView::template Codim<0>::Entity Element;
- typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
-
- enum {
- dim = GridView::dimension,
- dimWorld = GridView::dimensionworld,
- numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
- numComponents = GET_PROP_VALUE(TypeTag, NumComponents),
- };
-
- typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
- typedef typename GET_PROP_TYPE(TypeTag, SpatialParams) SpatialParams;
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
- typedef typename FVElementGeometry::SubControlVolume SCV;
- typedef typename FVElementGeometry::SubControlVolumeFace SCVFace;
-
- typedef Dune::FieldVector<CoordScalar, dimWorld> DimVector;
- typedef Dune::FieldMatrix<CoordScalar, dim, dim> DimMatrix;
-
- typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
- enum {
- wPhaseIdx = FluidSystem::wPhaseIdx,
- nPhaseIdx = FluidSystem::nPhaseIdx,
- wCompIdx = FluidSystem::wCompIdx,
- };
-
-public:
- /*!
- * \brief The constructor
- *
- * \param problem The problem
- * \param element The finite element
- * \param fvGeometry The finite-volume geometry in the fully implicit scheme
- * \param fIdx The local index of the sub-control-volume face
- * \param elemVolVars The volume variables of the current element
- * \param onBoundary Evaluate flux at inner sub-control-volume face or on a boundary face
- */
- TwoPNCMinFluxVariables(const Problem &problem,
- const Element &element,
- const FVElementGeometry &fvGeometry,
- const int fIdx,
- const ElementVolumeVariables &elemVolVars,
- const bool onBoundary = false)
- : ParentType(problem, element, fvGeometry, fIdx, elemVolVars, onBoundary)
- {
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
- this->density_[phaseIdx] = Scalar(0);
- this->molarDensity_[phaseIdx] = Scalar(0);
- this->potentialGrad_[phaseIdx] = Scalar(0);
- for (int compIdx = 0; compIdx < numComponents; ++compIdx)
- {
- this->massFractionGrad_[phaseIdx][compIdx] = Scalar(0);
- this->moleFractionGrad_[phaseIdx][compIdx] = Scalar(0);
- }
- }
- this->calculateGradients_(problem, element, elemVolVars);
- this->calculateVelocities_(problem, element, elemVolVars);
- this->calculateporousDiffCoeff_(problem, element, elemVolVars);
- };
-
-protected:
- void calculateVelocities_(const Problem &problem,
- const Element &element,
- const ElementVolumeVariables &elemVolVars)
- {
- const SpatialParams &spatialParams = problem.spatialParams();
- // multiply the pressure potential with the intrinsic permeability
- DimMatrix K(0.0);
-
- for (int phaseIdx=0; phaseIdx < numPhases; phaseIdx++)
- {
- const VolumeVariables &volVarsI = elemVolVars[this->face().i];
- const VolumeVariables &volVarsJ = elemVolVars[this->face().j];
-
- auto K_i = spatialParams.intrinsicPermeability(element,this->fvGeometry_,this->face().i);
- K_i *= volVarsI.permeabilityFactor();
-
- auto K_j = spatialParams.intrinsicPermeability(element,this->fvGeometry_,this->face().j);
- K_j *= volVarsJ.permeabilityFactor();
-
- spatialParams.meanK(K,K_i,K_j);
-
- K.mv(this->potentialGrad_[phaseIdx], this->Kmvp_[phaseIdx]);
- this->KmvpNormal_[phaseIdx] = - (this->Kmvp_[phaseIdx] * this->face().normal);
- }
-
- // set the upstream and downstream vertices
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- {
- this->upstreamIdx_[phaseIdx] = this->face().i;
- this->downstreamIdx_[phaseIdx] = this->face().j;
-
- if (this->KmvpNormal_[phaseIdx] < 0) {
- std::swap(this->upstreamIdx_[phaseIdx],
- this->downstreamIdx_[phaseIdx]);
- }
- }
- }
-};
-
-} // end namespace
+#include <dumux/porousmediumflow/2pncmin/implicit/fluxvariables.hh>
#endif
diff --git a/dumux/implicit/2pncmin/2pncminindices.hh b/dumux/implicit/2pncmin/2pncminindices.hh
index 8f4e103666..bf98e8edbf 100644
--- a/dumux/implicit/2pncmin/2pncminindices.hh
+++ b/dumux/implicit/2pncmin/2pncminindices.hh
@@ -1,48 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
+#ifndef DUMUX_2PNCMIN_INDICES_HH_OLD
+#define DUMUX_2PNCMIN_INDICES_HH_OLD
-/*!
- * \file
- * \brief Defines the indices required for the two-phase n-component mineralization
- * fully implicit model.
- */
-#ifndef DUMUX_2PNCMIN_INDICES_HH
-#define DUMUX_2PNCMIN_INDICES_HH
+#warning this header is deprecated, use dumux/porousmediumflow/2pncmin/implicit/indices.hh instead
-#include <dumux/implicit/2pnc/2pncindices.hh>
-
-namespace Dumux
-{
-/*!
- * \ingroup TwoPNCMinModel
- * \ingroup ImplicitIndices
- * \brief The indices for the isothermal two-phase n-component mineralization model.
- *
- * \tparam PVOffset The first index in a primary variable vector.
- */
-template <class TypeTag, int PVOffset = 0>
- class TwoPNCMinIndices: public TwoPNCIndices<TypeTag, PVOffset>
-{
-};
-
-// \}
-
-}
+#include <dumux/porousmediumflow/2pncmin/implicit/indices.hh>
#endif
diff --git a/dumux/implicit/2pncmin/2pncminlocalresidual.hh b/dumux/implicit/2pncmin/2pncminlocalresidual.hh
index 72299478f4..142ce3e389 100644
--- a/dumux/implicit/2pncmin/2pncminlocalresidual.hh
+++ b/dumux/implicit/2pncmin/2pncminlocalresidual.hh
@@ -1,140 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \file
- *
- * \brief Element-wise calculation of the Jacobian matrix for problems
- * using the two-phase n-component mineralisation box model.
- */
+#ifndef DUMUX_2PNCMIN_LOCAL_RESIDUAL_BASE_HH_OLD
+#define DUMUX_2PNCMIN_LOCAL_RESIDUAL_BASE_HH_OLD
-#ifndef DUMUX_2PNCMIN_LOCAL_RESIDUAL_BASE_HH
-#define DUMUX_2PNCMIN_LOCAL_RESIDUAL_BASE_HH
+#warning this header is deprecated, use dumux/porousmediumflow/2pncmin/implicit/localresidual.hh instead
-#include "2pncminproperties.hh"
-#include <dumux/implicit/2pnc/2pnclocalresidual.hh>
-
-namespace Dumux
-{
-/*!
- * \ingroup TwoPNCMinModel
- * \ingroup ImplicitLocalResidual
- * \brief Element-wise calculation of the Jacobian matrix for problems
- * using the two-phase n-component mineralization fully implicit box model.
- *
- * This class is used to fill the gaps in ImplicitLocalResidual for the two-phase n-component flow.
- */
-template<class TypeTag>
-class TwoPNCMinLocalResidual: public TwoPNCLocalResidual<TypeTag>
-{
-protected:
- typedef TwoPNCLocalResidual<TypeTag> ParentType;
- typedef TwoPNCMinLocalResidual<TypeTag> ThisType;
- typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
- typedef typename GET_PROP_TYPE(TypeTag, SolutionVector) SolutionVector;
- typedef typename GET_PROP_TYPE(TypeTag, ElementSolutionVector) ElementSolutionVector;
- typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
- typedef typename GET_PROP_TYPE(TypeTag, BoundaryTypes) BoundaryTypes;
- typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
- typedef typename GET_PROP_TYPE(TypeTag, LocalResidual) Implementation;
-
-
- enum
- {
- numEq = GET_PROP_VALUE(TypeTag, NumEq),
- numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
- numSPhases = GET_PROP_VALUE(TypeTag, NumSPhases),
- numComponents = GET_PROP_VALUE(TypeTag, NumComponents),
-
- replaceCompEqIdx = GET_PROP_VALUE(TypeTag, ReplaceCompEqIdx),
-
- pressureIdx = Indices::pressureIdx,
- switchIdx = Indices::switchIdx,
-
- wPhaseIdx = FluidSystem::wPhaseIdx,
- nPhaseIdx = FluidSystem::nPhaseIdx,
-
- wCompIdx = FluidSystem::wCompIdx,
- nCompIdx = FluidSystem::nCompIdx,
-
- conti0EqIdx = Indices::conti0EqIdx,
-
- wPhaseOnly = Indices::wPhaseOnly,
- nPhaseOnly = Indices::nPhaseOnly,
- bothPhases = Indices::bothPhases,
-
- plSg = TwoPNCFormulation::plSg,
- pgSl = TwoPNCFormulation::pgSl,
- formulation = GET_PROP_VALUE(TypeTag, Formulation)
- };
-
- typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
- typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
- typedef typename GET_PROP_TYPE(TypeTag, ElementBoundaryTypes) ElementBoundaryTypes;
- typedef typename GET_PROP_TYPE(TypeTag, FluxVariables) FluxVariables;
- typedef typename GET_PROP_TYPE(TypeTag, SpatialParams) SpatialParams;
- typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
-
-public:
- /*!
- * \brief Constructor. Sets the upwind weight.
- */
- TwoPNCMinLocalResidual()
- {
- // retrieve the upwind weight for the mass conservation equations. Use the value
- // specified via the property system as default, and overwrite
- // it by the run-time parameter from the Dune::ParameterTree
- this->massUpwindWeight_ = GET_PARAM_FROM_GROUP(TypeTag, Scalar, Implicit, MassUpwindWeight);
- };
-
- /*!
- * \brief Evaluate the amount all conservation quantities
- * (e.g. phase mass) within a sub-control volume.
- *
- * The result should be averaged over the volume (e.g. phase mass
- * inside a sub control volume divided by the volume).
- * In contrast to the 2pnc model, here, the storage of solid phases is included too.
- *
- * \param storage the mass of the component within the sub-control volume
- * \param scvIdx The SCV (sub-control-volume) index
- * \param usePrevSol Evaluate function with solution of current or previous time step
- */
- void computeStorage(PrimaryVariables &storage, int scvIdx, bool usePrevSol) const
- {
- //call parenttype function
- ParentType::computeStorage(storage, scvIdx, usePrevSol);
-
- const ElementVolumeVariables &elemVolVars = usePrevSol ? this->prevVolVars_()
- : this->curVolVars_();
- const VolumeVariables &volVars = elemVolVars[scvIdx];
-
- // Compute storage term of all solid (precipitated) phases (excluding the non-reactive matrix)
- for (int phaseIdx = numPhases; phaseIdx < numPhases + numSPhases; ++phaseIdx)
- {
- int eqIdx = conti0EqIdx + numComponents-numPhases + phaseIdx;
- storage[eqIdx] += volVars.precipitateVolumeFraction(phaseIdx)*volVars.molarDensity(phaseIdx);
- }
-
- Valgrind::CheckDefined(storage);
- }
-};
-} // end namespace
+#include <dumux/porousmediumflow/2pncmin/implicit/localresidual.hh>
#endif
diff --git a/dumux/implicit/2pncmin/2pncminmodel.hh b/dumux/implicit/2pncmin/2pncminmodel.hh
index ac054fa6ee..7bfac2d257 100644
--- a/dumux/implicit/2pncmin/2pncminmodel.hh
+++ b/dumux/implicit/2pncmin/2pncminmodel.hh
@@ -1,551 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
-* \file
-*
-* \brief Adaption of the fully implicit box scheme to the two-phase n-component flow model.
-*/
+#ifndef DUMUX_2PNCMIN_MODEL_HH_OLD
+#define DUMUX_2PNCMIN_MODEL_HH_OLD
-#ifndef DUMUX_2PNCMIN_MODEL_HH
-#define DUMUX_2PNCMIN_MODEL_HH
+#warning this header is deprecated, use dumux/porousmediumflow/2pncmin/implicit/model.hh instead
-#include "2pncminproperties.hh"
-#include "2pncminindices.hh"
-
-#include <dumux/material/constants.hh>
- #include <dumux/implicit/2pnc/2pncmodel.hh>
-#include "2pncminlocalresidual.hh"
-#include <dumux/porousmediumflow/implicit/velocityoutput.hh>
-
-namespace Dumux
-{
-/*!
- * \ingroup TwoPNCMinModel
- * \brief Adaption of the fully implicit scheme to the
- * two-phase n-component fully implicit model.
- *
- * This model implements two-phase n-component flow of two compressible and
- * partially miscible fluids \f$\alpha \in \{ w, n \}\f$ composed of the n components
- * \f$\kappa \in \{ w, a,\cdots \}\f$. The standard multiphase Darcy
- * approach is used as the equation for the conservation of momentum:
- * \f[
- v_\alpha = - \frac{k_{r\alpha}}{\mu_\alpha} \mbox{\bf K}
- \left(\text{grad}\, p_\alpha - \varrho_{\alpha} \mbox{\bf g} \right)
- * \f]
- *
- * By inserting this into the equations for the conservation of the
- * components, one gets one transport equation for each component
- * \f{eqnarray}
- && \phi \frac{\partial (\sum_\alpha \varrho_\alpha X_\alpha^\kappa S_\alpha )}
- {\partial t}
- - \sum_\alpha \text{div} \left\{ \varrho_\alpha X_\alpha^\kappa
- \frac{k_{r\alpha}}{\mu_\alpha} \mbox{\bf K}
- (\text{grad}\, p_\alpha - \varrho_{\alpha} \mbox{\bf g}) \right\}
- \nonumber \\ \nonumber \\
- &-& \sum_\alpha \text{div} \left\{{\bf D_{\alpha, pm}^\kappa} \varrho_{\alpha} \text{grad}\, X^\kappa_{\alpha} \right\}
- - \sum_\alpha q_\alpha^\kappa = 0 \qquad \kappa \in \{w, a,\cdots \} \, ,
- \alpha \in \{w, g\}
- \f}
- *
- * All equations are discretized using a vertex-centered finite volume (box)
- * or cell-centered finite volume scheme (this is not done for 2pnc approach yet, however possible) as
- * spatial and the implicit Euler method as time discretization.
- *
- * By using constitutive relations for the capillary pressure \f$p_c =
- * p_n - p_w\f$ and relative permeability \f$k_{r\alpha}\f$ and taking
- * advantage of the fact that \f$S_w + S_n = 1\f$ and \f$X^\kappa_w + X^\kappa_n = 1\f$, the number of
- * unknowns can be reduced to number of components.
- *
- * The used primary variables are, like in the two-phase model, either \f$p_w\f$ and \f$S_n\f$
- * or \f$p_n\f$ and \f$S_w\f$. The formulation which ought to be used can be
- * specified by setting the <tt>Formulation</tt> property to either
- * TwoPTwoCIndices::pWsN or TwoPTwoCIndices::pNsW. By
- * default, the model uses \f$p_w\f$ and \f$S_n\f$.
- *
- * Moreover, the second primary variable depends on the phase state, since a
- * primary variable switch is included. The phase state is stored for all nodes
- * of the system. The model is uses mole fractions.
- *Following cases can be distinguished:
- * <ul>
- * <li> Both phases are present: The saturation is used (either \f$S_n\f$ or \f$S_w\f$, dependent on the chosen <tt>Formulation</tt>),
- * as long as \f$ 0 < S_\alpha < 1\f$</li>.
- * <li> Only wetting phase is present: The mass fraction of, e.g., air in the wetting phase \f$X^a_w\f$ is used,
- * as long as the maximum mass fraction is not exceeded (\f$X^a_w<X^a_{w,max}\f$)</li>
- * <li> Only non-wetting phase is present: The mass fraction of, e.g., water in the non-wetting phase, \f$X^w_n\f$, is used,
- * as long as the maximum mass fraction is not exceeded (\f$X^w_n<X^w_{n,max}\f$)</li>
- * </ul>
- */
-
-template<class TypeTag>
-class TwoPNCMinModel: public TwoPNCModel<TypeTag>
-{
- typedef TwoPNCMinModel<TypeTag> ThisType;
- typedef TwoPNCModel<TypeTag> ParentType;
-
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
- typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
-
- typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
- typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
- typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
- typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
- typedef typename GET_PROP_TYPE(TypeTag, ElementBoundaryTypes) ElementBoundaryTypes;
- typedef typename GET_PROP_TYPE(TypeTag, FluxVariables) FluxVariables;
- typedef typename GET_PROP_TYPE(TypeTag, VertexMapper) VertexMapper;
- typedef typename GET_PROP_TYPE(TypeTag, ElementMapper) ElementMapper;
- typedef typename GET_PROP_TYPE(TypeTag, SolutionVector) SolutionVector;
- typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
- typedef Dumux::Constants<Scalar> Constant;
-
- enum {
- dim = GridView::dimension,
- dimWorld = GridView::dimensionworld,
-
- numEq = GET_PROP_VALUE(TypeTag, NumEq),
- numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
- numSPhases = GET_PROP_VALUE(TypeTag, NumSPhases),
- numComponents = GET_PROP_VALUE(TypeTag, NumComponents),
- numSecComponents = GET_PROP_VALUE(TypeTag, NumSecComponents),
- numMajorComponents = GET_PROP_VALUE(TypeTag, NumMajorComponents),
-
- pressureIdx = Indices::pressureIdx,
- switchIdx = Indices::switchIdx,
-
- wPhaseIdx = Indices::wPhaseIdx,
- nPhaseIdx = Indices::nPhaseIdx,
-
- wCompIdx = FluidSystem::wCompIdx,
- nCompIdx = FluidSystem::nCompIdx,
-
- wPhaseOnly = Indices::wPhaseOnly,
- nPhaseOnly = Indices::nPhaseOnly,
- bothPhases = Indices::bothPhases,
-
- plSg = TwoPNCFormulation::plSg,
- pgSl = TwoPNCFormulation::pgSl,
- formulation = GET_PROP_VALUE(TypeTag, Formulation)
- };
-
- typedef typename GridView::template Codim<dim>::Entity Vertex;
- typedef typename GridView::template Codim<0>::Entity Element;
-
- typedef Dune::FieldVector<Scalar, dimWorld> GlobalPosition;
- typedef typename GridView::ctype CoordScalar;
- typedef Dune::FieldMatrix<CoordScalar, dimWorld, dimWorld> Tensor;
- typedef Dune::FieldVector<Scalar, numPhases> PhasesVector;
-
- enum { isBox = GET_PROP_VALUE(TypeTag, ImplicitIsBox) };
- enum { dofCodim = isBox ? dim : 0 };
-
-public:
-
- /*!
- * \brief Append all quantities of interest which can be derived
- * from the solution of the current time step to the VTK
- * writer.
- *
- * \param sol The solution vector
- * \param writer The writer for multi-file VTK datasets
- */
- template<class MultiWriter>
- //additional output of the permeability and the precipitate volume fractions
- void addOutputVtkFields(const SolutionVector &sol,
- MultiWriter &writer)
- {
- typedef Dune::BlockVector<Dune::FieldVector<Scalar, 1> > ScalarField;
- typedef Dune::BlockVector<Dune::FieldVector<double, dim> > VectorField;
-
- // get the number of degrees of freedom
- unsigned numDofs = this->numDofs();
-
- // create the required scalar fields
- ScalarField *Sg = writer.allocateManagedBuffer (numDofs);
- ScalarField *Sl = writer.allocateManagedBuffer (numDofs);
- ScalarField *pg = writer.allocateManagedBuffer (numDofs);
- ScalarField *pl = writer.allocateManagedBuffer (numDofs);
- ScalarField *pc = writer.allocateManagedBuffer (numDofs);
- ScalarField *rhoL = writer.allocateManagedBuffer (numDofs);
- ScalarField *rhoG = writer.allocateManagedBuffer (numDofs);
- ScalarField *mobL = writer.allocateManagedBuffer (numDofs);
- ScalarField *mobG = writer.allocateManagedBuffer (numDofs);
- ScalarField *phasePresence = writer.allocateManagedBuffer (numDofs);
- ScalarField *temperature = writer.allocateManagedBuffer (numDofs);
- ScalarField *poro = writer.allocateManagedBuffer (numDofs);
- ScalarField *boxVolume = writer.allocateManagedBuffer (numDofs);
- ScalarField *cellNum = writer.allocateManagedBuffer (numDofs);
- ScalarField *permeabilityFactor = writer.allocateManagedBuffer (numDofs);
- ScalarField *precipitateVolumeFraction[numSPhases] ;
-
- for (int i = 0; i < numSPhases; ++i)
- {
- precipitateVolumeFraction[i]= writer.allocateManagedBuffer (numDofs);
- }
-
- ScalarField *massFraction[numPhases][numComponents];
- for (int i = 0; i < numPhases; ++i)
- for (int j = 0; j < numComponents; ++j)
- massFraction[i][j] = writer.allocateManagedBuffer(numDofs);
-
- ScalarField *molarity[numComponents];
- for (int j = 0; j < numComponents ; ++j)
- molarity[j] = writer.allocateManagedBuffer(numDofs);
-
- ScalarField *Perm[dim];
- for (int j = 0; j < dim; ++j) //Permeability only in main directions xx and yy
- Perm[j] = writer.allocateManagedBuffer(numDofs);
-
- *boxVolume = 0;
-
- VectorField *velocityN = writer.template allocateManagedBuffer<double, dim>(numDofs);
- VectorField *velocityW = writer.template allocateManagedBuffer<double, dim>(numDofs);
- ImplicitVelocityOutput<TypeTag> velocityOutput(this->problem_());
-
- if (velocityOutput.enableOutput()) // check if velocity output is demanded
- {
- // initialize velocity fields
- for (unsigned int i = 0; i < numDofs; ++i)
- {
- (*velocityN)[i] = Scalar(0);
- (*velocityW)[i] = Scalar(0);
- (*cellNum)[i] = Scalar(0.0);
- }
- }
-
- unsigned numElements = this->gridView_().size(0);
- ScalarField *rank =
- writer.allocateManagedBuffer (numElements);
-
- FVElementGeometry fvGeometry;
- VolumeVariables volVars;
- ElementVolumeVariables elemVolVars;
-
- for (const auto& element : Dune::elements(this->gridView_()))
- {
- int idx = this->problem_().elementMapper().index(element);
- (*rank)[idx] = this->gridView_().comm().rank();
- fvGeometry.update(this->gridView_(), element);
-
- elemVolVars.update(this->problem_(),
- element,
- fvGeometry,
- false /* oldSol? */);
-
- int numVerts = element.subEntities(dim);
-
- for (int i = 0; i < numVerts; ++i)
- {
- int globalIdx = this->vertexMapper().subIndex(element, i, dim);
- volVars.update(sol[globalIdx],
- this->problem_(),
- element,
- fvGeometry,
- i,
- false);
-
- (*Sg)[globalIdx] = volVars.saturation(nPhaseIdx);
- (*Sl)[globalIdx] = volVars.saturation(wPhaseIdx);
- (*pg)[globalIdx] = volVars.pressure(nPhaseIdx);
- (*pl)[globalIdx] = volVars.pressure(wPhaseIdx);
- (*pc)[globalIdx] = volVars.capillaryPressure();
- (*rhoL)[globalIdx] = volVars.density(wPhaseIdx);
- (*rhoG)[globalIdx] = volVars.density(nPhaseIdx);
- (*mobL)[globalIdx] = volVars.mobility(wPhaseIdx);
- (*mobG)[globalIdx] = volVars.mobility(nPhaseIdx);
- (*boxVolume)[globalIdx] += fvGeometry.subContVol[i].volume;
- (*poro)[globalIdx] = volVars.porosity();
-
- for (int sPhaseIdx = 0; sPhaseIdx < numSPhases; ++sPhaseIdx)
- {
- (*precipitateVolumeFraction[sPhaseIdx])[globalIdx] = volVars.precipitateVolumeFraction(sPhaseIdx + numPhases);
- }
- (*temperature)[globalIdx] = volVars.temperature();
- (*permeabilityFactor)[globalIdx] = volVars.permeabilityFactor();
- (*phasePresence)[globalIdx] = this->staticDat_[globalIdx].phasePresence;
-
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- for (int compIdx = 0; compIdx < numComponents; ++compIdx)
- {
- (*massFraction[phaseIdx][compIdx])[globalIdx]= volVars.massFraction(phaseIdx,compIdx);
-
- Valgrind::CheckDefined((*massFraction[phaseIdx][compIdx])[globalIdx]);
-
- }
- for (int compIdx = 0; compIdx < numComponents; ++compIdx)
- (*molarity[compIdx])[globalIdx] = (volVars.molarity(wPhaseIdx, compIdx));
-
- Tensor K = this->perm_(this->problem_().spatialParams().intrinsicPermeability(element, fvGeometry, i));
-
- for (int j = 0; j<dim; ++j)
- (*Perm[j])[globalIdx] = K[j][j] * volVars.permeabilityFactor();
- };
-
- // velocity output
- if(velocityOutput.enableOutput()){
- velocityOutput.calculateVelocity(*velocityW, elemVolVars, fvGeometry, element, wPhaseIdx);
- velocityOutput.calculateVelocity(*velocityN, elemVolVars, fvGeometry, element, nPhaseIdx);
- }
- } // loop over element
-
- writer.attachVertexData(*Sg, "Sg");
- writer.attachVertexData(*Sl, "Sl");
- writer.attachVertexData(*pg, "pg");
- writer.attachVertexData(*pl, "pl");
- writer.attachVertexData(*pc, "pc");
- writer.attachVertexData(*rhoL, "rhoL");
- writer.attachVertexData(*rhoG, "rhoG");
- writer.attachVertexData(*mobL, "mobL");
- writer.attachVertexData(*mobG, "mobG");
- writer.attachVertexData(*poro, "porosity");
- writer.attachVertexData(*permeabilityFactor, "permeabilityFactor");
- writer.attachVertexData(*temperature, "temperature");
- writer.attachVertexData(*phasePresence, "phase presence");
- writer.attachVertexData(*boxVolume, "boxVolume");
-
-
- for (int i = 0; i < numSPhases; ++i)
- {
- std::ostringstream oss;
- oss << "precipitateVolumeFraction_"
- << FluidSystem::phaseName(numPhases + i);
- writer.attachDofData(*precipitateVolumeFraction[i], oss.str().c_str(), isBox);
- }
-
- writer.attachVertexData(*Perm[0], "Kxx");
- if (dim >= 2)
- writer.attachVertexData(*Perm[1], "Kyy");
- if (dim == 3)
- writer.attachVertexData(*Perm[2], "Kzz");
-
- for (int i = 0; i < numPhases; ++i)
- {
- for (int j = 0; j < numComponents; ++j)
- {
- std::ostringstream oss;
- oss << "X^"
- << FluidSystem::phaseName(i)
- << "_"
- << FluidSystem::componentName(j);
- writer.attachVertexData(*massFraction[i][j], oss.str().c_str());
- }
- }
-
- for (int j = 0; j < numComponents; ++j)
- {
- std::ostringstream oss;
- oss << "m^w_"
- << FluidSystem::componentName(j);
- writer.attachVertexData(*molarity[j], oss.str().c_str());
- }
-
- if (velocityOutput.enableOutput()) // check if velocity output is demanded
- {
- writer.attachDofData(*velocityW, "velocityW", isBox, dim);
- writer.attachDofData(*velocityN, "velocityN", isBox, dim);
- }
-
- writer.attachCellData(*rank, "process rank");
- }
-
- /*!
- * \brief Update the static data of all vertices in the grid.
- *
- * \param curGlobalSol The current global solution
- * \param oldGlobalSol The previous global solution
- */
- void updateStaticData(SolutionVector &curGlobalSol,
- const SolutionVector &oldGlobalSol)
- {
- bool wasSwitched = false;
-
- for (unsigned i = 0; i < this->staticDat_.size(); ++i)
- this->staticDat_[i].visited = false;
-
- FVElementGeometry fvGeometry;
- static VolumeVariables volVars;
- for (const auto& element : Dune::elements(this->gridView_()))
- {
- fvGeometry.update(this->gridView_(), element);
- for (int i = 0; i < fvGeometry.numScv; ++i)
- {
- int globalIdx = this->vertexMapper().subIndex(element, i, dim);
-
- if (this->staticDat_[globalIdx].visited)
- continue;
-
- this->staticDat_[globalIdx].visited = true;
- volVars.update(curGlobalSol[globalIdx],
- this->problem_(),
- element,
- fvGeometry,
- i,
- false);
- const GlobalPosition &global = element.geometry().corner(i);
- if (primaryVarSwitch_(curGlobalSol,
- volVars,
- globalIdx,
- global))
- { wasSwitched = true;
- }
- }
- }
-
- // make sure that if there was a variable switch in an
- // other partition we will also set the switch flag
- // for our partition.
- if (this->gridView_().comm().size() > 1)
- wasSwitched = this->gridView_().comm().max(wasSwitched);
-
- setSwitched_(wasSwitched);
- }
-protected:
-
- /*!
- * \brief Set whether there was a primary variable switch after in
- * the last timestep.
- */
- void setSwitched_(bool yesno)
- {
- switchFlag_ = yesno;
- }
-
- /*!
- * \copydoc 2pnc::primaryVarSwitch_
- */
- bool primaryVarSwitch_(SolutionVector &globalSol,
- const VolumeVariables &volVars, int globalIdx,
- const GlobalPosition &globalPos)
- {
- // evaluate primary variable switch
- bool wouldSwitch = false;
- int phasePresence = this->staticDat_[globalIdx].phasePresence;
- int newPhasePresence = phasePresence;
-
- //check if a primary variable switch is necessary
- if (phasePresence == bothPhases)
- {
- Scalar Smin = 0.0; //saturation threshold
- if (this->staticDat_[globalIdx].wasSwitched)
- Smin = -0.01;
-
- //if saturation of liquid phase is smaller 0 switch
- if (volVars.saturation(wPhaseIdx) <= Smin)
- {
- wouldSwitch = true;
- //liquid phase has to disappear
- std::cout << "Liquid Phase disappears at vertex " << globalIdx
- << ", coordinated: " << globalPos << ", Sl: "
- << volVars.saturation(wPhaseIdx) << std::endl;
- newPhasePresence = nPhaseOnly;
-
- //switch not depending on formulation
- //switch "Sl" to "xgH20"
- globalSol[globalIdx][switchIdx]
- = volVars.moleFraction(nPhaseIdx, wCompIdx /*H2O*/);
- //Here unlike 2pnc model we do not switch all components to to mole fraction in gas phase
- }
- //if saturation of gas phase is smaller than 0 switch
- else if (volVars.saturation(nPhaseIdx) <= Smin)
- {
- wouldSwitch = true;
- //gas phase has to disappear
- std::cout << "Gas Phase disappears at vertex " << globalIdx
- << ", coordinated: " << globalPos << ", Sg: "
- << volVars.saturation(nPhaseIdx) << std::endl;
- newPhasePresence = wPhaseOnly;
-
- //switch "Sl" to "xlN2"
- globalSol[globalIdx][switchIdx]
- = volVars.moleFraction(wPhaseIdx, nCompIdx /*N2*/);
- }
- }
- else if (phasePresence == nPhaseOnly)
- {
- Scalar sumxl = 0;
- //Calculate sum of mole fractions (water and air) in the hypothetical liquid phase
- //WARNING: Here numComponents is replaced by numMajorComponents as the solutes
- //are only present in the liquid phase and cannot condense as the liquid (water).
- for (int compIdx = 0; compIdx < numComponents; compIdx++)
- {
- sumxl += volVars.moleFraction(wPhaseIdx, compIdx);
- }
- Scalar xlmax = 1.0;
- if (sumxl > xlmax)
- wouldSwitch = true;
- if (this->staticDat_[globalIdx].wasSwitched)
- xlmax *=1.02;
-
- //if the sum of the mole fractions would be larger than
- //1, wetting phase appears
- if (sumxl/*sum of mole fractions*/ > xlmax/*1*/)
- {
- // liquid phase appears
- std::cout << "Liquid Phase appears at vertex " << globalIdx
- << ", coordinated: " << globalPos << ", sumxl: "
- << sumxl << std::endl;
- newPhasePresence = bothPhases;
- if (formulation == pgSl)
- globalSol[globalIdx][switchIdx] = 0.0;
- else if (formulation == plSg)
- globalSol[globalIdx][switchIdx] = 1.0;
- //Here unlike 2pnc model we do not switch all components to to mole fraction in gas phase
- }
- }
- else if (phasePresence == wPhaseOnly)
- {
- Scalar xgmax = 1;
- Scalar sumxg = 0;
- //Calculate sum of mole fractions in the hypothetical gas phase
- for (int compIdx = 0; compIdx < numComponents; compIdx++)
- {
- sumxg += volVars.moleFraction(nPhaseIdx, compIdx);
- }
- if (sumxg > xgmax)
- wouldSwitch = true;
- if (this->staticDat_[globalIdx].wasSwitched)
- xgmax *=1.02;
- //liquid phase appears if sum is larger than one
- if (sumxg > xgmax)
- {
- std::cout << "Gas Phase appears at vertex " << globalIdx
- << ", coordinated: " << globalPos << ", sumxg: "
- << sumxg << std::endl;
- newPhasePresence = bothPhases;
- //saturation of the liquid phase set to 0.9999 (if formulation pgSl and vice versa)
- if (formulation == pgSl)
- globalSol[globalIdx][switchIdx] = 0.999;
- else if (formulation == plSg)
- globalSol[globalIdx][switchIdx] = 0.001;
-
- }
- }
- this->staticDat_[globalIdx].phasePresence = newPhasePresence;
- this->staticDat_[globalIdx].wasSwitched = wouldSwitch;
- return phasePresence != newPhasePresence;
- }
- // parameters given in constructor
- bool switchFlag_;
-};
-
-}
-
-#include "2pncminpropertydefaults.hh"
+#include <dumux/porousmediumflow/2pncmin/implicit/model.hh>
#endif
diff --git a/dumux/implicit/2pncmin/2pncminproperties.hh b/dumux/implicit/2pncmin/2pncminproperties.hh
index 9f410f690c..623b90b31e 100644
--- a/dumux/implicit/2pncmin/2pncminproperties.hh
+++ b/dumux/implicit/2pncmin/2pncminproperties.hh
@@ -1,65 +1,8 @@
-// -**- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \ingroup Properties
- * \ingroup ImplicitProperties
- * \ingroup TwoPNCMinModel
- *
- * \file
- *
- * \brief Defines the properties required for the two-phase n-component mineralization
- * fully implicit model.
- */
-#ifndef DUMUX_2PNCMIN_PROPERTIES_HH
-#define DUMUX_2PNCMIN_PROPERTIES_HH
+#ifndef DUMUX_2PNCMIN_PROPERTIES_HH_OLD
+#define DUMUX_2PNCMIN_PROPERTIES_HH_OLD
-#include <dumux/implicit/2pnc/2pncproperties.hh>
+#warning this header is deprecated, use dumux/porousmediumflow/2pncmin/implicit/properties.hh instead
-namespace Dumux
-{
-
-namespace Properties
-{
-//////////////////////////////////////////////////////////////////
-// Type tags
-//////////////////////////////////////////////////////////////////
-
-//! The type tag for the isothermal two phase n component mineralisation problems
-NEW_TYPE_TAG(TwoPNCMin, INHERITS_FROM(TwoPNC));
-NEW_TYPE_TAG(BoxTwoPNCMin, INHERITS_FROM(BoxModel, TwoPNCMin));
-NEW_TYPE_TAG(CCTwoPNCMin, INHERITS_FROM(CCModel, TwoPNCMin));
-
-//////////////////////////////////////////////////////////////////
-// Property tags
-//////////////////////////////////////////////////////////////////
-
-NEW_PROP_TAG(NumSPhases); //!< Number of solid phases in the system
-NEW_PROP_TAG(NumFSPhases); //!< Number of fluid and solid phases in the system
-NEW_PROP_TAG(NumSComponents); //!< Number of solid components in the system
-NEW_PROP_TAG(NumPSComponents); //!< Number of fluid and solid components in the system
-NEW_PROP_TAG(NumTraceComponents); //!< Number of trace fluid components which are not considered in the calculation of the phase density
-NEW_PROP_TAG(NumSecComponents); //!< Number of secondary components which are not primary variables
-NEW_PROP_TAG(TwoPNCMinIndices); //!< Enumerations for the 2pncMin models
-NEW_PROP_TAG(useSalinity); //!< Determines if salinity is used
-NEW_PROP_TAG(SpatialParamsForchCoeff); //!< Property for the forchheimer coefficient
-
-}
-}
+#include <dumux/porousmediumflow/2pncmin/implicit/properties.hh>
#endif
diff --git a/dumux/implicit/2pncmin/2pncminpropertydefaults.hh b/dumux/implicit/2pncmin/2pncminpropertydefaults.hh
index 63a3b03439..64cf62f4b3 100644
--- a/dumux/implicit/2pncmin/2pncminpropertydefaults.hh
+++ b/dumux/implicit/2pncmin/2pncminpropertydefaults.hh
@@ -1,143 +1,8 @@
-// -**- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \ingroup Properties
- * \ingroup ImplicitProperties
- * \ingroup TwoPNCMinModel
- * \file
- *
- * \brief Defines default values for most properties required by the
- * two-phase n-component mineralization fully implicit model.
- */
-#ifndef DUMUX_2PNCMIN_PROPERTY_DEFAULTS_HH
-#define DUMUX_2PNCMIN_PROPERTY_DEFAULTS_HH
+#ifndef DUMUX_2PNCMIN_PROPERTY_DEFAULTS_HH_OLD
+#define DUMUX_2PNCMIN_PROPERTY_DEFAULTS_HH_OLD
-#include "2pncminindices.hh"
-#include "2pncminmodel.hh"
-#include "2pncminindices.hh"
-#include "2pncminfluxvariables.hh"
-#include "2pncminvolumevariables.hh"
-#include "2pncminproperties.hh"
+#warning this header is deprecated, use dumux/porousmediumflow/2pncmin/implicit/propertydefaults.hh instead
-#include <dumux/implicit/2pnc/2pncnewtoncontroller.hh>
-#include <dumux/porousmediumflow/implicit/darcyfluxvariables.hh>
-#include <dumux/material/spatialparams/implicitspatialparams.hh>
-
-namespace Dumux
-{
-
-namespace Properties {
-//////////////////////////////////////////////////////////////////
-// Property values
-//////////////////////////////////////////////////////////////////
-
-/*!
- * \brief Set the property for the number of secondary components.
- * Secondary components are components calculated from
- * primary components by equilibrium relations and
- * do not have mass balance equation on their own.
- * These components are important in the context of bio-mineralization applications.
- * We just forward the number from the fluid system
- *
- */
-SET_PROP(TwoPNCMin, NumSecComponents)
-{
-private:
- typedef typename GET_PROP_TYPE(TypeTag, PTAG(FluidSystem)) FluidSystem;
-
-public:
- static const int value = FluidSystem::numSecComponents;
-
-};
-/*!
- * \brief Set the property for the number of solid phases, excluding the non-reactive matrix.
- *
- * We just forward the number from the fluid system
- *
- */
-SET_PROP(TwoPNCMin, NumSPhases)
-{
-private:
- typedef typename GET_PROP_TYPE(TypeTag, PTAG(FluidSystem)) FluidSystem;
-
-public:
- static const int value = FluidSystem::numSPhases;
-};
-
-/*!
- * \brief Set the property for the number of equations.
- * For each component and each precipitated mineral/solid phase one equation has to
- * be solved.
- */
-SET_PROP(TwoPNCMin, NumEq)
-{
-private:
- typedef typename GET_PROP_TYPE(TypeTag, PTAG(FluidSystem)) FluidSystem;
-
-public:
- static const int value = FluidSystem::numComponents + FluidSystem::numSPhases;
-};
-
-/*!
- * \brief The fluid state which is used by the volume variables to
- * store the thermodynamic state. This should be chosen
- * appropriately for the model ((non-)isothermal, equilibrium, ...).
- * This can be done in the problem.
- */
-SET_PROP(TwoPNCMin, FluidState){
- private:
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
- public:
- typedef Dumux::CompositionalFluidState<Scalar, FluidSystem> type;
-};
-
-//! Use the 2pncmin local residual operator
-SET_TYPE_PROP(TwoPNCMin,
- LocalResidual,
- TwoPNCMinLocalResidual<TypeTag>);
-
-//! the Model property
-SET_TYPE_PROP(TwoPNCMin, Model, TwoPNCMinModel<TypeTag>);
-
-//! the VolumeVariables property
-SET_TYPE_PROP(TwoPNCMin, VolumeVariables, TwoPNCMinVolumeVariables<TypeTag>);
-
-//! the FluxVariables property
-SET_TYPE_PROP(TwoPNCMin, FluxVariables, TwoPNCMinFluxVariables<TypeTag>);
-
-//! The indices required by the isothermal 2pNcMin model
-SET_TYPE_PROP(TwoPNCMin, Indices, TwoPNCMinIndices <TypeTag, /*PVOffset=*/0>);
-
-//! disable useSalinity for the calculation of osmotic pressure by default
-SET_BOOL_PROP(TwoPNCMin, useSalinity, false);
-
-
-//! default value for the forchheimer coefficient
-// Source: Ward, J.C. 1964 Turbulent flow in porous media. ASCE J. Hydraul. Div 90.
-// Actually the Forchheimer coefficient is also a function of the dimensions of the
-// porous medium. Taking it as a constant is only a first approximation
-// (Nield, Bejan, Convection in porous media, 2006, p. 10)
-SET_SCALAR_PROP(TwoPNCMin, SpatialParamsForchCoeff, 0.55);
-
-}
-
-}
+#include <dumux/porousmediumflow/2pncmin/implicit/propertydefaults.hh>
#endif
diff --git a/dumux/implicit/2pncmin/2pncminvolumevariables.hh b/dumux/implicit/2pncmin/2pncminvolumevariables.hh
index 4e11fd1f48..1c31f964a2 100644
--- a/dumux/implicit/2pncmin/2pncminvolumevariables.hh
+++ b/dumux/implicit/2pncmin/2pncminvolumevariables.hh
@@ -1,549 +1,8 @@
-// -**- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \file
- *
- * \brief Contains the quantities which are constant within a
- * finite volume in the two-phase, n-component mineralization model.
- */
-#ifndef DUMUX_2PNCMin_VOLUME_VARIABLES_HH
-#define DUMUX_2PNCMin_VOLUME_VARIABLES_HH
+#ifndef DUMUX_2PNCMin_VOLUME_VARIABLES_HH_OLD
+#define DUMUX_2PNCMin_VOLUME_VARIABLES_HH_OLD
-#include <dumux/implicit/model.hh>
-#include <dumux/material/fluidstates/compositionalfluidstate.hh>
-#include <dumux/common/math.hh>
-#include <vector>
-#include <iostream>
+#warning this header is deprecated, use dumux/porousmediumflow/2pncmin/implicit/volumevariables.hh instead
-#include "2pncminproperties.hh"
-#include "2pncminindices.hh"
-#include <dumux/material/constraintsolvers/computefromreferencephase2pncmin.hh>
-#include <dumux/material/constraintsolvers/miscible2pnccomposition.hh>
-#include <dumux/implicit/2pnc/2pncvolumevariables.hh>
-
-namespace Dumux
-{
-
-/*!
- * \ingroup TwoPNCMinModel
- * \ingroup ImplicitVolumeVariables
- * \brief Contains the quantities which are are constant within a
- * finite volume in the two-phase, n-component model.
- */
-template <class TypeTag>
-class TwoPNCMinVolumeVariables : public TwoPNCVolumeVariables<TypeTag>
-{
- typedef TwoPNCVolumeVariables<TypeTag> ParentType;
- typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) Implementation;
-
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef typename GET_PROP_TYPE(TypeTag, Grid) Grid;
- typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
- typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
- typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
- typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
- typedef typename GET_PROP_TYPE(TypeTag, MaterialLaw) MaterialLaw;
- typedef typename GET_PROP_TYPE(TypeTag, MaterialLawParams) MaterialLawParams;
- typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
-
- enum
- {
- dim = GridView::dimension,
- dimWorld=GridView::dimensionworld,
-
- numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
- numSPhases = GET_PROP_VALUE(TypeTag, NumSPhases),
- numComponents = GET_PROP_VALUE(TypeTag, NumComponents),
- numMajorComponents = GET_PROP_VALUE(TypeTag, NumMajorComponents),
-
- // formulations
- formulation = GET_PROP_VALUE(TypeTag, Formulation),
- plSg = TwoPNCFormulation::plSg,
- pgSl = TwoPNCFormulation::pgSl,
-
- // phase indices
- wPhaseIdx = FluidSystem::wPhaseIdx,
- nPhaseIdx = FluidSystem::nPhaseIdx,
-
- // component indices
- wCompIdx = FluidSystem::wCompIdx,
- nCompIdx = FluidSystem::nCompIdx,
-
- // phase presence enums
- nPhaseOnly = Indices::nPhaseOnly,
- wPhaseOnly = Indices::wPhaseOnly,
- bothPhases = Indices::bothPhases,
-
- // primary variable indices
- pressureIdx = Indices::pressureIdx,
- switchIdx = Indices::switchIdx,
-
- useSalinity = GET_PROP_VALUE(TypeTag, useSalinity)
- };
-
- typedef typename GridView::template Codim<0>::Entity Element;
- typedef Dune::FieldVector<Scalar, dimWorld> GlobalPosition;
- typedef typename Grid::ctype CoordScalar;
- typedef Dumux::Miscible2pNCComposition<Scalar, FluidSystem> Miscible2pNCComposition;
- typedef Dumux::ComputeFromReferencePhase2pNCMin<Scalar, FluidSystem> ComputeFromReferencePhase2pNCMin;
-
- enum { isBox = GET_PROP_VALUE(TypeTag, ImplicitIsBox) };
- enum { dofCodim = isBox ? dim : 0 };
-public:
-
- typedef typename GET_PROP_TYPE(TypeTag, FluidState) FluidState;
-
- /*!
- * \copydoc ImplicitVolumeVariables::update
- */
- void update(const PrimaryVariables &priVars,
- const Problem &problem,
- const Element &element,
- const FVElementGeometry &fvGeometry,
- int scvIdx,
- bool isOldSol)
- {
- ParentType::update(priVars,
- problem,
- element,
- fvGeometry,
- scvIdx,
- isOldSol);
-
- completeFluidState(priVars, problem, element, fvGeometry, scvIdx, this->fluidState_, isOldSol);
-
- /////////////
- // calculate the remaining quantities
- /////////////
-
- // porosity evaluation
- initialPorosity_ = problem.spatialParams().porosity(element, fvGeometry, scvIdx);
- minimumPorosity_ = problem.spatialParams().porosityMin(element, fvGeometry, scvIdx);
-
-
- sumPrecipitates_ = 0.0;
- for(int sPhaseIdx = 0; sPhaseIdx < numSPhases; ++sPhaseIdx)
- {
- precipitateVolumeFraction_[sPhaseIdx] = priVars[numComponents + sPhaseIdx];
- sumPrecipitates_+= precipitateVolumeFraction_[sPhaseIdx];
- }
-
-// for(int sPhaseIdx = 0; sPhaseIdx < numSPhases; ++sPhaseIdx)
-// {
-// Chemistry chemistry; // the non static functions can not be called without abject
-// saturationIdx_[sPhaseIdx] = chemistry.omega(sPhaseIdx);
-// }
-// TODO/FIXME: The salt crust porosity is not clearly defined. However form literature review it is
-// found that the salt crust have porosity of approx. 10 %. Thus we restrict the decrease in porosity
-// to this limit. Moreover in the Problem files the precipitation should also be made dependent on local
-// porosity value, as the porous media media properties change related to salt precipitation will not be
-// accounted otherwise.
-
-// this->porosity_ = initialPorosity_ - sumPrecipitates_;
-
- this->porosity_ = std::max(minimumPorosity_, std::max(0.0, initialPorosity_ - sumPrecipitates_));
-
- salinity_= 0.0;
- moleFractionSalinity_ = 0.0;
- for (int compIdx = numMajorComponents; compIdx< numComponents; compIdx++) //sum of the mass fraction of the components
- {
- if(this->fluidState_.moleFraction(wPhaseIdx, compIdx)> 0)
- {
- salinity_+= this->fluidState_.massFraction(wPhaseIdx, compIdx);
- moleFractionSalinity_ += this->fluidState_.moleFraction(wPhaseIdx, compIdx);
- }
- }
-
-// TODO/FIXME: Different relations for the porosoty-permeability changes are given here. We have to fins a way
-// so that one can select the relation form the input file.
-
- // kozeny-Carman relation
- permeabilityFactor_ = std::pow(((1-initialPorosity_)/(1-this->porosity_)),2)
- * std::pow((this->porosity_/initialPorosity_),3);
-
- // Verma-Pruess relation
-// permeabilityFactor_ = 100 * std::pow(((this->porosity_/initialPorosity_)-0.9),2);
-
- // Modified Fair-Hatch relation with final porosity set to 0.2 and E1=1
-// permeabilityFactor_ = std::pow((this->porosity_/initialPorosity_),3)
-// * std::pow((std::pow((1 - initialPorosity_),2/3))+(std::pow((0.2 - initialPorosity_),2/3)),2)
-// / std::pow((std::pow((1 -this->porosity_),2/3))+(std::pow((0.2 -this->porosity_),2/3)),2);
-
- //Timur relation with residual water saturation set to 0.001
-// permeabilityFactor_ = 0.136 * (std::pow(this->porosity_,4.4)) / (2000 * (std::pow(0.001,2)));
-
- //Timur relation1 with residual water saturation set to 0.001
-// permeabilityFactor_ = 0.136 * (std::pow(this->porosity_,4.4)) / (200000 * (std::pow(0.001,2)));
-
-
- //Bern. relation
- // permeabilityFactor_ = std::pow((this->porosity_/initialPorosity_),8);
-
- //Tixier relation with residual water saturation set to 0.001
- //permeabilityFactor_ = (std::pow((250 * (std::pow(this->porosity_,3)) / 0.001),2)) / initialPermeability_;
-
- //Coates relation with residual water saturation set to 0.001
- //permeabilityFactor_ = (std::pow((100 * (std::pow(this->porosity_,2)) * (1-0.001) / 0.001,2))) / initialPermeability_ ;
-
-
- // energy related quantities not contained in the fluid state
- //asImp_().updateEnergy_(priVars, problem,element, fvGeometry, scvIdx, isOldSol);
- }
-
- /*!
- * \copydoc ImplicitModel::completeFluidState
- * \param isOldSol Specifies whether this is the previous solution or the current one
- */
- static void completeFluidState(const PrimaryVariables& priVars,
- const Problem& problem,
- const Element& element,
- const FVElementGeometry& fvGeometry,
- int scvIdx,
- FluidState& fluidState,
- bool isOldSol = false)
-
- {
- Scalar t = Implementation::temperature_(priVars, problem, element,fvGeometry, scvIdx);
- fluidState.setTemperature(t);
-
- int dofIdxGlobal = problem.model().dofMapper().subIndex(element, scvIdx, dofCodim);
- int phasePresence = problem.model().phasePresence(dofIdxGlobal, isOldSol);
-
- /////////////
- // set the saturations
- /////////////
-
- Scalar Sg;
- if (phasePresence == nPhaseOnly)
- Sg = 1.0;
- else if (phasePresence == wPhaseOnly) {
- Sg = 0.0;
- }
- else if (phasePresence == bothPhases) {
- if (formulation == plSg)
- Sg = priVars[switchIdx];
- else if (formulation == pgSl)
- Sg = 1.0 - priVars[switchIdx];
- else DUNE_THROW(Dune::InvalidStateException, "Formulation: " << formulation << " is invalid.");
- }
- else DUNE_THROW(Dune::InvalidStateException, "phasePresence: " << phasePresence << " is invalid.");
- fluidState.setSaturation(nPhaseIdx, Sg);
- fluidState.setSaturation(wPhaseIdx, 1.0 - Sg);
-
- /////////////
- // set the pressures of the fluid phases
- /////////////
-
- // calculate capillary pressure
- const MaterialLawParams &materialParams = problem.spatialParams().materialLawParams(element, fvGeometry, scvIdx);
- Scalar pc = MaterialLaw::pc(materialParams, 1 - Sg);
-
- // extract the pressures
- if (formulation == plSg) {
- fluidState.setPressure(wPhaseIdx, priVars[pressureIdx]);
- fluidState.setPressure(nPhaseIdx, priVars[pressureIdx] + pc);
- }
- else if (formulation == pgSl) {
- fluidState.setPressure(nPhaseIdx, priVars[pressureIdx]);
- fluidState.setPressure(wPhaseIdx, priVars[pressureIdx] - pc);
- }
- else DUNE_THROW(Dune::InvalidStateException, "Formulation: " << formulation << " is invalid.");
-
- /////////////
- // calculate the phase compositions
- /////////////
-
- typename FluidSystem::ParameterCache paramCache;
-
- // now comes the tricky part: calculate phase composition
- if (phasePresence == bothPhases) {
- // both phases are present, phase composition results from
- // the gas <-> liquid equilibrium. This is
- // the job of the "MiscibleMultiPhaseComposition"
- // constraint solver
-
- // set the known mole fractions in the fluidState so that they
- // can be used by the Miscible2pNcComposition constraint solver
- for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx)
- {
- fluidState.setMoleFraction(wPhaseIdx, compIdx, priVars[compIdx]);
- }
-
- Miscible2pNCComposition::solve(fluidState,
- paramCache,
- wPhaseIdx, //known phaseIdx
- /*setViscosity=*/true,
- /*setInternalEnergy=*/false);
- }
- else if (phasePresence == nPhaseOnly){
-
- Dune::FieldVector<Scalar, numComponents> moleFrac;
- Dune::FieldVector<Scalar, numComponents> fugCoeffL;
- Dune::FieldVector<Scalar, numComponents> fugCoeffG;
-
- for (int compIdx=0; compIdx<numComponents; ++compIdx)
- {
- fugCoeffL[compIdx] = FluidSystem::fugacityCoefficient(fluidState,
- paramCache,
- wPhaseIdx,
- compIdx);
- fugCoeffG[compIdx] = FluidSystem::fugacityCoefficient(fluidState,
- paramCache,
- nPhaseIdx,
- compIdx);
- }
- for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx)
- moleFrac[compIdx] = (priVars[compIdx]*fugCoeffL[compIdx]*fluidState.pressure(wPhaseIdx))
- /(fugCoeffG[compIdx]*fluidState.pressure(nPhaseIdx));
-
- moleFrac[wCompIdx] = priVars[switchIdx];
- Scalar sumMoleFracNotGas = 0;
- for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx)
- {
- sumMoleFracNotGas+=moleFrac[compIdx];
- }
- sumMoleFracNotGas += moleFrac[wCompIdx];
- moleFrac[nCompIdx] = 1 - sumMoleFracNotGas;
-
-// typedef Dune::FieldMatrix<Scalar, numComponents, numComponents> Matrix;
-// typedef Dune::FieldVector<Scalar, numComponents> Vector;
-
-
- // Set fluid state mole fractions
- for (int compIdx=0; compIdx<numComponents; ++compIdx)
- {
- fluidState.setMoleFraction(nPhaseIdx, compIdx, moleFrac[compIdx]);
- }
-
- // calculate the composition of the remaining phases (as
- // well as the densities of all phases). this is the job
- // of the "ComputeFromReferencePhase2pNc" constraint solver
- ComputeFromReferencePhase2pNCMin::solve(fluidState,
- paramCache,
- nPhaseIdx,
- nPhaseOnly,
- /*setViscosity=*/true,
- /*setInternalEnergy=*/false);
-
- }
- else if (phasePresence == wPhaseOnly){
-
- // only the liquid phase is present, i.e. liquid phase
- // composition is stored explicitly.
- // extract _mass_ fractions in the gas phase
- Dune::FieldVector<Scalar, numComponents> moleFrac;
-
- for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx)
- {
- moleFrac[compIdx] = priVars[compIdx];
- }
- moleFrac[nCompIdx] = priVars[switchIdx];
- Scalar sumMoleFracNotWater = 0;
- for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx)
- {
- sumMoleFracNotWater+=moleFrac[compIdx];
- }
- sumMoleFracNotWater += moleFrac[nCompIdx];
- moleFrac[wCompIdx] = 1 -sumMoleFracNotWater;
-
-// convert mass to mole fractions and set the fluid state
- for (int compIdx=0; compIdx<numComponents; ++compIdx)
- {
- fluidState.setMoleFraction(wPhaseIdx, compIdx, moleFrac[compIdx]);
- }
-
-// calculate the composition of the remaining phases (as
-// well as the densities of all phases). this is the job
-// of the "ComputeFromReferencePhase2pNc" constraint solver
- ComputeFromReferencePhase2pNCMin::solve(fluidState,
- paramCache,
- wPhaseIdx,
- wPhaseOnly,
- /*setViscosity=*/true,
- /*setInternalEnergy=*/false);
- }
- paramCache.updateAll(fluidState);
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- {
- Scalar h = Implementation::enthalpy_(fluidState, paramCache, phaseIdx);
- fluidState.setEnthalpy(phaseIdx, h);
- }
- }
- /*!
- * \brief Returns the volume fraction of the precipitate (solid phase)
- * for the given phaseIdx
- *
- * \param phaseIdx the index of the solid phase
- */
- Scalar precipitateVolumeFraction(int phaseIdx) const
- { return precipitateVolumeFraction_[phaseIdx - numPhases]; }
-
- /*!
- * \brief Returns the inital porosity of the
- * pure, precipitate-free porous medium
- */
- Scalar initialPorosity() const
- { return initialPorosity_;}
-
- /*!
- * \brief Returns the inital permeability of the
- * pure, precipitate-free porous medium
- */
- Scalar initialPermeability() const
- { return initialPermeability_;}
-
- /*!
- * \brief Returns the factor for the reduction of the initial permeability
- * due precipitates in the porous medium
- */
- Scalar permeabilityFactor() const
- { return permeabilityFactor_; }
-
-// /*!
-// * \brief Returns the mole fraction of a component in the phase
-// *
-// * \param phaseIdx the index of the fluid phase
-// * \param compIdx the index of the component
-// */
-// Scalar moleFraction(int phaseIdx, int compIdx) const
-// {
-// return this->fluidState_.moleFraction(phaseIdx, compIdx);
-// }
-
- /*!
- * \brief Returns the mole fraction of the salinity in the liquid phase
- */
- Scalar moleFracSalinity() const
- {
- return moleFractionSalinity_;
- }
-
- /*!
- * \brief Returns the salinity (mass fraction) in the liquid phase
- */
- Scalar salinity() const
- {
- return salinity_;
- }
-
- /*!
- * \brief Returns the density of the phase for all fluid and solid phases
- *
- * \param phaseIdx the index of the fluid phase
- */
- Scalar density(int phaseIdx) const
- {
- if (phaseIdx < numPhases)
- return this->fluidState_.density(phaseIdx);
- else if (phaseIdx >= numPhases)
- return FluidSystem::precipitateDensity(phaseIdx);
- else
- DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx);
- }
- /*!
- * \brief Returns the mass density of a given phase within the
- * control volume.
- *
- * \param phaseIdx The phase index
- */
- Scalar molarDensity(int phaseIdx) const
- {
- if (phaseIdx < numPhases)
- return this->fluidState_.molarDensity(phaseIdx);
- else if (phaseIdx >= numPhases)
- return FluidSystem::precipitateMolarDensity(phaseIdx);
- else
- DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx);
- }
-
- /*!
- * \brief Returns the molality of a component in the phase
- *
- * \param phaseIdx the index of the fluid phase
- * \param compIdx the index of the component
- * molality=\frac{n_{component}}{m_{solvent}}
- * =\frac{n_{component}}{n_{solvent}*M_{solvent}}
- * compIdx of the main component (solvent) in the
- * phase is equal to the phaseIdx
- */
- Scalar molality(int phaseIdx, int compIdx) const // [moles/Kg]
- { return this->fluidState_.moleFraction(phaseIdx, compIdx)
- /(fluidState_.moleFraction(phaseIdx, phaseIdx)
- * FluidSystem::molarMass(phaseIdx));}
-
-protected:
- friend class TwoPNCVolumeVariables<TypeTag>;
- static Scalar temperature_(const PrimaryVariables &priVars,
- const Problem& problem,
- const Element &element,
- const FVElementGeometry &fvGeometry,
- int scvIdx)
- {
- return problem.temperatureAtPos(fvGeometry.subContVol[scvIdx].global);
- }
-
- template<class ParameterCache>
- static Scalar enthalpy_(const FluidState& fluidState,
- const ParameterCache& paramCache,
- int phaseIdx)
- {
- return 0;
- }
-
- /*!
- * \brief Update all quantities for a given control volume.
- *
- * \param priVars The solution primary variables
- * \param problem The problem
- * \param element The element
- * \param fvGeometry Evaluate function with solution of current or previous time step
- * \param scvIdx The local index of the SCV (sub-control volume)
- * \param isOldSol Evaluate function with solution of current or previous time step
- */
- void updateEnergy_(const PrimaryVariables &priVars,
- const Problem &problem,
- const Element &element,
- const FVElementGeometry &fvGeometry,
- const int scvIdx,
- bool isOldSol)
- { };
-
- Scalar precipitateVolumeFraction_[numSPhases];
-// Scalar saturationIdx_[numSPhases];
- Scalar permeabilityFactor_;
- Scalar initialPorosity_;
- Scalar initialPermeability_;
- Scalar minimumPorosity_;
- Scalar sumPrecipitates_;
- Scalar salinity_;
- Scalar moleFractionSalinity_;
- FluidState fluidState_;
-
-private:
- Implementation &asImp_()
- { return *static_cast<Implementation*>(this); }
-
- const Implementation &asImp_() const
- { return *static_cast<const Implementation*>(this); }
-};
-
-} // end namespace
+#include <dumux/porousmediumflow/2pncmin/implicit/volumevariables.hh>
#endif
diff --git a/dumux/implicit/3p3c/3p3cfluxvariables.hh b/dumux/implicit/3p3c/3p3cfluxvariables.hh
index f3c3d62d8d..25830baebb 100644
--- a/dumux/implicit/3p3c/3p3cfluxvariables.hh
+++ b/dumux/implicit/3p3c/3p3cfluxvariables.hh
@@ -1,386 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \file
- * \brief This file contains the data which is required to calculate
- * all fluxes of components over a face of a finite volume for
- * the three-phase three-component model.
- */
-#ifndef DUMUX_3P3C_FLUX_VARIABLES_HH
-#define DUMUX_3P3C_FLUX_VARIABLES_HH
+#ifndef DUMUX_3P3C_FLUX_VARIABLES_HH_OLD
+#define DUMUX_3P3C_FLUX_VARIABLES_HH_OLD
-#include <dumux/common/math.hh>
-#include <dumux/common/spline.hh>
+#warning this header is deprecated, use dumux/porousmediumflow/3p3c/implicit/fluxvariables.hh instead
-#include "3p3cproperties.hh"
-
-namespace Dumux
-{
-
-/*!
- * \ingroup ThreePThreeCModel
- * \ingroup ImplicitFluxVariables
- * \brief This template class contains the data which is required to
- * calculate all fluxes of components over a face of a finite
- * volume for the three-phase three-component model.
- *
- * This means pressure and concentration gradients, phase densities at
- * the integration point, etc.
- */
-template <class TypeTag>
-class ThreePThreeCFluxVariables : public GET_PROP_TYPE(TypeTag, BaseFluxVariables)
-{
- typedef typename GET_PROP_TYPE(TypeTag, BaseFluxVariables) BaseFluxVariables;
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
-
- typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
- typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
-
- typedef typename GridView::template Codim<0>::Entity Element;
- typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
- typedef typename GET_PROP_TYPE(TypeTag, EffectiveDiffusivityModel) EffectiveDiffusivityModel;
-
- enum {
- dim = GridView::dimension,
- dimWorld = GridView::dimensionworld,
- numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
- numComponents = GET_PROP_VALUE(TypeTag, NumComponents)
- };
-
- typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
-
- typedef Dune::FieldVector<Scalar, dim> DimVector;
- typedef Dune::FieldVector<Scalar, dimWorld> GlobalPosition;
-
- typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
- enum {
- wPhaseIdx = Indices::wPhaseIdx,
- nPhaseIdx = Indices::nPhaseIdx,
- gPhaseIdx = Indices::gPhaseIdx,
-
- wCompIdx = Indices::wCompIdx,
- nCompIdx = Indices::nCompIdx,
- gCompIdx = Indices::gCompIdx
- };
-
-public:
- /*!
- * \brief The constructor
- *
- * \param problem The problem
- * \param element The finite element
- * \param fvGeometry The finite-volume geometry in the fully implicit scheme
- * \param fIdx The local index of the SCV (sub-control-volume) face
- * \param elemVolVars The volume variables of the current element
- * \param onBoundary Evaluate flux at inner sub-control-volume face or on a boundary face
- */
- ThreePThreeCFluxVariables(const Problem &problem,
- const Element &element,
- const FVElementGeometry &fvGeometry,
- const int fIdx,
- const ElementVolumeVariables &elemVolVars,
- const bool onBoundary = false)
- : BaseFluxVariables(problem, element, fvGeometry, fIdx, elemVolVars, onBoundary)
- {
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
- density_[phaseIdx] = Scalar(0);
- molarDensity_[phaseIdx] = Scalar(0);
- massFractionCompWGrad_[phaseIdx] = Scalar(0);
- massFractionCompNGrad_[phaseIdx] = Scalar(0);
- massFractionCompGGrad_[phaseIdx] = Scalar(0);
- moleFractionCompWGrad_[phaseIdx] = Scalar(0);
- moleFractionCompNGrad_[phaseIdx] = Scalar(0);
- moleFractionCompGGrad_[phaseIdx] = Scalar(0);
- }
-
- calculateGradients_(problem, element, elemVolVars);
- calculatePorousDiffCoeff_(problem, element, elemVolVars);
- };
-
-private:
- void calculateGradients_(const Problem &problem,
- const Element &element,
- const ElementVolumeVariables &elemVolVars)
- {
- // calculate gradients
- GlobalPosition tmp(0.0);
- for (unsigned int idx = 0;
- idx < this->face().numFap;
- idx++) // loop over adjacent vertices
- {
- // FE gradient at vertex idx
- const GlobalPosition &feGrad = this->face().grad[idx];
-
- // index for the element volume variables
- int volVarsIdx = this->face().fapIndices[idx];
-
- // the concentration gradient of the components
- // component in the phases
- tmp = feGrad;
- tmp *= elemVolVars[volVarsIdx].massFraction(wPhaseIdx, wCompIdx);
- massFractionCompWGrad_[wPhaseIdx] += tmp;
-
- tmp = feGrad;
- tmp *= elemVolVars[volVarsIdx].massFraction(nPhaseIdx, wCompIdx);
- massFractionCompWGrad_[nPhaseIdx] += tmp;
-
- tmp = feGrad;
- tmp *= elemVolVars[volVarsIdx].massFraction(gPhaseIdx, wCompIdx);
- massFractionCompWGrad_[gPhaseIdx] += tmp;
-
- tmp = feGrad;
- tmp *= elemVolVars[volVarsIdx].massFraction(wPhaseIdx, nCompIdx);
- massFractionCompNGrad_[wPhaseIdx] += tmp;
-
- tmp = feGrad;
- tmp *= elemVolVars[volVarsIdx].massFraction(nPhaseIdx, nCompIdx);
- massFractionCompNGrad_[nPhaseIdx] += tmp;
-
- tmp = feGrad;
- tmp *= elemVolVars[volVarsIdx].massFraction(gPhaseIdx, nCompIdx);
- massFractionCompNGrad_[gPhaseIdx] += tmp;
-
- tmp = feGrad;
- tmp *= elemVolVars[volVarsIdx].massFraction(wPhaseIdx, gCompIdx);
- massFractionCompGGrad_[wPhaseIdx] += tmp;
-
- tmp = feGrad;
- tmp *= elemVolVars[volVarsIdx].massFraction(nPhaseIdx, gCompIdx);
- massFractionCompGGrad_[nPhaseIdx] += tmp;
-
- tmp = feGrad;
- tmp *= elemVolVars[volVarsIdx].massFraction(gPhaseIdx, gCompIdx);
- massFractionCompGGrad_[gPhaseIdx] += tmp;
-
- // the molar concentration gradients of the components
- // in the phases
- tmp = feGrad;
- tmp *= elemVolVars[volVarsIdx].moleFraction(wPhaseIdx, wCompIdx);
- moleFractionCompWGrad_[wPhaseIdx] += tmp;
-
- tmp = feGrad;
- tmp *= elemVolVars[volVarsIdx].moleFraction(nPhaseIdx, wCompIdx);
- moleFractionCompWGrad_[nPhaseIdx] += tmp;
-
- tmp = feGrad;
- tmp *= elemVolVars[volVarsIdx].moleFraction(gPhaseIdx, wCompIdx);
- moleFractionCompWGrad_[gPhaseIdx] += tmp;
-
- tmp = feGrad;
- tmp *= elemVolVars[volVarsIdx].moleFraction(wPhaseIdx, nCompIdx);
- moleFractionCompNGrad_[wPhaseIdx] += tmp;
-
- tmp = feGrad;
- tmp *= elemVolVars[volVarsIdx].moleFraction(nPhaseIdx, nCompIdx);
- moleFractionCompNGrad_[nPhaseIdx] += tmp;
-
- tmp = feGrad;
- tmp *= elemVolVars[volVarsIdx].moleFraction(gPhaseIdx, nCompIdx);
- moleFractionCompNGrad_[gPhaseIdx] += tmp;
-
- tmp = feGrad;
- tmp *= elemVolVars[volVarsIdx].moleFraction(wPhaseIdx, gCompIdx);
- moleFractionCompGGrad_[wPhaseIdx] += tmp;
-
- tmp = feGrad;
- tmp *= elemVolVars[volVarsIdx].moleFraction(nPhaseIdx, gCompIdx);
- moleFractionCompGGrad_[nPhaseIdx] += tmp;
-
- tmp = feGrad;
- tmp *= elemVolVars[volVarsIdx].moleFraction(gPhaseIdx, gCompIdx);
- moleFractionCompGGrad_[gPhaseIdx] += tmp;
- }
- }
-
- Scalar rhoFactor_(int phaseIdx, int scvIdx, const ElementVolumeVariables &elemVolVars)
- {
- static const Scalar eps = 1e-2;
- const Scalar sat = elemVolVars[scvIdx].density(phaseIdx);
- if (sat > eps)
- return 0.5;
- if (sat <= 0)
- return 0;
-
- static const Dumux::Spline<Scalar> sp(0, eps, // x0, x1
- 0, 0.5, // y0, y1
- 0, 0); // m0, m1
- return sp.eval(sat);
- }
-
- void calculatePorousDiffCoeff_(const Problem &problem,
- const Element &element,
- const ElementVolumeVariables &elemVolVars)
- {
-
- const VolumeVariables &volVarsI = elemVolVars[this->face().i];
- const VolumeVariables &volVarsJ = elemVolVars[this->face().j];
-
- Dune::FieldMatrix<Scalar, numPhases, numComponents> diffusionCoefficientMatrix_i = volVarsI.diffusionCoefficient();
- Dune::FieldMatrix<Scalar, numPhases, numComponents> diffusionCoefficientMatrix_j = volVarsJ.diffusionCoefficient();
-
- // the effective diffusion coefficients at vertex i and j
- Scalar diffCoeffI;
- Scalar diffCoeffJ;
-
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- {
- // make sure to calculate only diffusion coefficents
- // for phases which exist in both finite volumes
- /* \todo take care: This should be discussed once again
- * as long as a meaningful value can be found for the required mole fraction
- * diffusion should work even without this one here */
- if (volVarsI.saturation(phaseIdx) <= 0 ||
- volVarsJ.saturation(phaseIdx) <= 0)
- {
- porousDiffCoeff_[phaseIdx][wCompIdx] = 0.0;
- porousDiffCoeff_[phaseIdx][nCompIdx] = 0.0;
- porousDiffCoeff_[phaseIdx][gCompIdx] = 0.0;
- continue;
- }
-
- // Diffusion coefficient in the porous medium
- diffCoeffI = EffectiveDiffusivityModel::effectiveDiffusivity(volVarsI.porosity(),
- volVarsI.saturation(phaseIdx),
- diffusionCoefficientMatrix_i[phaseIdx][wCompIdx]);
- diffCoeffJ = EffectiveDiffusivityModel::effectiveDiffusivity(volVarsJ.porosity(),
- volVarsJ.saturation(phaseIdx),
- diffusionCoefficientMatrix_j[phaseIdx][wCompIdx]);
-
- // -> harmonic mean
- porousDiffCoeff_[phaseIdx][wCompIdx] = harmonicMean(diffCoeffI, diffCoeffJ);
-
- // Diffusion coefficient in the porous medium
- diffCoeffI = EffectiveDiffusivityModel::effectiveDiffusivity(volVarsI.porosity(),
- volVarsI.saturation(phaseIdx),
- diffusionCoefficientMatrix_i[phaseIdx][nCompIdx]);
- diffCoeffJ = EffectiveDiffusivityModel::effectiveDiffusivity(volVarsJ.porosity(),
- volVarsJ.saturation(phaseIdx),
- diffusionCoefficientMatrix_j[phaseIdx][nCompIdx]);
-
- // -> harmonic mean
- porousDiffCoeff_[phaseIdx][nCompIdx] = harmonicMean(diffCoeffI, diffCoeffJ);
-
- // Diffusion coefficient in the porous medium
- diffCoeffI = EffectiveDiffusivityModel::effectiveDiffusivity(volVarsI.porosity(),
- volVarsI.saturation(phaseIdx),
- diffusionCoefficientMatrix_i[phaseIdx][gCompIdx]);
- diffCoeffJ = EffectiveDiffusivityModel::effectiveDiffusivity(volVarsJ.porosity(),
- volVarsJ.saturation(phaseIdx),
- diffusionCoefficientMatrix_j[phaseIdx][gCompIdx]);
-
- // -> harmonic mean
- porousDiffCoeff_[phaseIdx][gCompIdx] = harmonicMean(diffCoeffI, diffCoeffJ);
- }
- }
-
-public:
- /*!
- * \brief The diffusivity matrix
- *
- * \tparam Scalar Field type
- * \tparam numPhases The number of phases of the problem
- * \tparam numComponents The number of components of the problem
- */
- Dune::FieldMatrix<Scalar, numPhases, numComponents> porousDiffCoeff() const
- { return porousDiffCoeff_; };
-
- /*!
- * \brief Return density \f$\mathrm{[kg/m^3]}\f$ of a phase.
- *
- * \param phaseIdx The phase index
- */
- Scalar density(int phaseIdx) const
- { return density_[phaseIdx]; }
-
- /*!
- * \brief Return molar density \f$\mathrm{[mol/m^3]}\f$ of a phase.
- *
- * \param phaseIdx The phase index
- */
- Scalar molarDensity(int phaseIdx) const
- { return molarDensity_[phaseIdx]; }
-
- /*!
- * \brief The mass fraction gradient of the water in a phase.
- *
- * \param phaseIdx The phase index
- */
- const GlobalPosition &massFractionCompWGrad(int phaseIdx) const
- {return massFractionCompWGrad_[phaseIdx];}
-
- /*!
- * \brief The mass fraction gradient of the contaminant in a phase.
- *
- * \param phaseIdx The phase index
- */
- const GlobalPosition &massFractionCompNGrad(int phaseIdx) const
- { return massFractionCompNGrad_[phaseIdx]; };
-
- /*!
- * \brief The mass fraction gradient of gas in a phase.
- *
- * \param phaseIdx The phase index
- */
- const GlobalPosition &massFractionCompGGrad(int phaseIdx) const
- { return massFractionCompGGrad_[phaseIdx]; };
-
- /*!
- * \brief The mole fraction gradient of the water in a phase.
- *
- * \param phaseIdx The phase index
- */
- const GlobalPosition &moleFractionCompWGrad(int phaseIdx) const
- { return moleFractionCompWGrad_[phaseIdx]; };
-
- /*!
- * \brief The mole fraction gradient of the contaminant in a phase.
- *
- * \param phaseIdx The phase index
- */
- const GlobalPosition &moleFractionCompNGrad(int phaseIdx) const
- { return moleFractionCompNGrad_[phaseIdx]; };
-
- /*!
- * \brief The mole fraction gradient of gas in a phase.
- *
- * \param phaseIdx The phase index
- */
- const GlobalPosition &moleFractionCompGGrad(int phaseIdx) const
- { return moleFractionCompGGrad_[phaseIdx]; };
-
-protected:
- // gradients
- GlobalPosition massFractionCompWGrad_[numPhases];
- GlobalPosition massFractionCompNGrad_[numPhases];
- GlobalPosition massFractionCompGGrad_[numPhases];
- GlobalPosition moleFractionCompWGrad_[numPhases];
- GlobalPosition moleFractionCompNGrad_[numPhases];
- GlobalPosition moleFractionCompGGrad_[numPhases];
-
- // density of each face at the integration point
- Scalar density_[numPhases], molarDensity_[numPhases];
-
- // the diffusivity matrix for the porous medium
- Dune::FieldMatrix<Scalar, numPhases, numComponents> porousDiffCoeff_;
-};
-
-} // end namespace
+#include <dumux/porousmediumflow/3p3c/implicit/fluxvariables.hh>
#endif
diff --git a/dumux/implicit/3p3c/3p3cindices.hh b/dumux/implicit/3p3c/3p3cindices.hh
index e203747f7c..74f9ed7cd8 100644
--- a/dumux/implicit/3p3c/3p3cindices.hh
+++ b/dumux/implicit/3p3c/3p3cindices.hh
@@ -1,90 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \file
- * \brief Defines the indices required for the three-phase three-component
- * fully implicit model.
- */
-#ifndef DUMUX_3P3C_INDICES_HH
-#define DUMUX_3P3C_INDICES_HH
+#ifndef DUMUX_3P3C_INDICES_HH_OLD
+#define DUMUX_3P3C_INDICES_HH_OLD
-#include "3p3cproperties.hh"
+#warning this header is deprecated, use dumux/porousmediumflow/3p3c/implicit/indices.hh instead
-namespace Dumux
-{
-
-/*!
- * \ingroup ThreePThreeCModel
- * \ingroup ImplicitIndices
- * \brief The indices for the isothermal three-phase three-component model.
- *
- * \tparam formulation The formulation, only pgSwSn is available.
- * \tparam PVOffset The first index in a primary variable vector.
- */
-template <class TypeTag, int PVOffset = 0>
-class ThreePThreeCIndices
-{
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
-
-public:
- // Phase indices
- static const int wPhaseIdx = FluidSystem::wPhaseIdx; //!< index of the wetting liquid phase
- static const int nPhaseIdx = FluidSystem::nPhaseIdx; //!< index of the nonwetting liquid phase
- static const int gPhaseIdx = FluidSystem::gPhaseIdx; //!< index of the gas phase
-
- // Component indices to indicate the main component
- // of the corresponding phase at atmospheric pressure 1 bar
- // and room temperature 20°C:
- static const int wCompIdx = FluidSystem::wCompIdx;
- static const int nCompIdx = FluidSystem::nCompIdx;
- static const int gCompIdx = FluidSystem::gCompIdx;
-
- // present phases (-> 'pseudo' primary variable)
- static const int threePhases = 1; //!< All three phases are present
- static const int wPhaseOnly = 2; //!< Only the water phase is present
- static const int gnPhaseOnly = 3; //!< Only gas and NAPL phases are present
- static const int wnPhaseOnly = 4; //!< Only water and NAPL phases are present
- static const int gPhaseOnly = 5; //!< Only gas phase is present
- static const int wgPhaseOnly = 6; //!< Only water and gas phases are present
-
- // Primary variable indices
- static const int pressureIdx = PVOffset + 0; //!< Index for gas phase pressure in a solution vector
- static const int switch1Idx = PVOffset + 1; //!< Index 1 of saturation or mole fraction
- static const int switch2Idx = PVOffset + 2; //!< Index 2 of saturation or mole fraction
-
- //! Index for gas phase pressure in a solution vector
- static const int pgIdx = pressureIdx;
- //! Index of either the saturation of the wetting phase or the mole fraction secondary component if a phase is not present
- static const int sOrX1Idx = switch1Idx;
- //! Index of either the saturation of the nonwetting phase or the mole fraction secondary component if a phase is not present
- static const int sOrX2Idx = switch2Idx;
-
- // equation indices
- static const int conti0EqIdx = PVOffset + wCompIdx; //!< Index of the mass conservation equation for the water component
- static const int conti1EqIdx = conti0EqIdx + nCompIdx; //!< Index of the mass conservation equation for the contaminant component
- static const int conti2EqIdx = conti0EqIdx + gCompIdx; //!< Index of the mass conservation equation for the gas component
-
- static const int contiWEqIdx = conti0EqIdx + wCompIdx; //!< index of the mass conservation equation for the water component
- static const int contiNEqIdx = conti0EqIdx + nCompIdx; //!< index of the mass conservation equation for the contaminant component
- static const int contiGEqIdx = conti0EqIdx + gCompIdx; //!< index of the mass conservation equation for the air component
-};
-
-}
+#include <dumux/porousmediumflow/3p3c/implicit/indices.hh>
#endif
diff --git a/dumux/implicit/3p3c/3p3clocalresidual.hh b/dumux/implicit/3p3c/3p3clocalresidual.hh
index e1abefc1e8..29a4ac9e7f 100644
--- a/dumux/implicit/3p3c/3p3clocalresidual.hh
+++ b/dumux/implicit/3p3c/3p3clocalresidual.hh
@@ -1,238 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \file
- *
- * \brief Element-wise calculation of the Jacobian matrix for problems
- * using the three-phase three-component fully implicit model.
- */
-#ifndef DUMUX_3P3C_LOCAL_RESIDUAL_HH
-#define DUMUX_3P3C_LOCAL_RESIDUAL_HH
+#ifndef DUMUX_3P3C_LOCAL_RESIDUAL_HH_OLD
+#define DUMUX_3P3C_LOCAL_RESIDUAL_HH_OLD
-#include "3p3cproperties.hh"
+#warning this header is deprecated, use dumux/porousmediumflow/3p3c/implicit/localresidual.hh instead
-namespace Dumux
-{
-/*!
- * \ingroup ThreePThreeCModel
- * \ingroup ImplicitLocalResidual
- * \brief Element-wise calculation of the Jacobian matrix for problems
- * using the three-phase three-component fully implicit model.
- *
- * This class is used to fill the gaps in BoxLocalResidual for the 3P3C flow.
- */
-template<class TypeTag>
-class ThreePThreeCLocalResidual: public GET_PROP_TYPE(TypeTag, BaseLocalResidual)
-{
-protected:
- typedef typename GET_PROP_TYPE(TypeTag, LocalResidual) Implementation;
-
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
- typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
-
- enum {
- numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
- numComponents = GET_PROP_VALUE(TypeTag, NumComponents),
-
- conti0EqIdx = Indices::conti0EqIdx,//!< Index of the mass conservation equation for the water component
- conti1EqIdx = Indices::conti1EqIdx,//!< Index of the mass conservation equation for the contaminant component
- conti2EqIdx = Indices::conti2EqIdx,//!< Index of the mass conservation equation for the gas component
-
- wPhaseIdx = Indices::wPhaseIdx,
- nPhaseIdx = Indices::nPhaseIdx,
- gPhaseIdx = Indices::gPhaseIdx,
-
- wCompIdx = Indices::wCompIdx,
- nCompIdx = Indices::nCompIdx,
- gCompIdx = Indices::gCompIdx
- };
-
- typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
- typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
- typedef typename GET_PROP_TYPE(TypeTag, FluxVariables) FluxVariables;
-
-public:
- /*!
- * \brief Evaluate the amount of all conservation quantities
- * (e.g. phase mass) within a sub-control volume.
- *
- * The result should be averaged over the volume (e.g. phase mass
- * inside a sub control volume divided by the volume)
- *
- * \param storage The mass of the component within the sub-control volume
- * \param scvIdx The SCV (sub-control-volume) index
- * \param usePrevSol Evaluate function with solution of current or previous time step
- */
- void computeStorage(PrimaryVariables &storage, const int scvIdx, bool usePrevSol) const
- {
- // if flag usePrevSol is set, the solution from the previous
- // time step is used, otherwise the current solution is
- // used. The secondary variables are used accordingly. This
- // is required to compute the derivative of the storage term
- // using the implicit euler method.
- const ElementVolumeVariables &elemVolVars =
- usePrevSol
- ? this->prevVolVars_()
- : this->curVolVars_();
- const VolumeVariables &volVars = elemVolVars[scvIdx];
-
- // compute storage term of all components within all phases
- storage = 0;
- for (int compIdx = 0; compIdx < numComponents; ++compIdx)
- {
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- {
- storage[conti0EqIdx + compIdx] +=
- volVars.porosity()
- * volVars.saturation(phaseIdx)
- * volVars.molarDensity(phaseIdx)
- * volVars.moleFraction(phaseIdx, compIdx);
- }
- }
- }
-
- /*!
- * \brief Evaluates the total flux of all conservation quantities
- * over a face of a sub-control volume.
- *
- * \param flux The flux over the SCV (sub-control-volume) face for each component
- * \param fIdx The index of the SCV face
- * \param onBoundary A boolean variable to specify whether the flux variables
- * are calculated for interior SCV faces or boundary faces, default=false
- */
- void computeFlux(PrimaryVariables &flux, const int fIdx, const bool onBoundary=false) const
- {
- FluxVariables fluxVars(this->problem_(),
- this->element_(),
- this->fvGeometry_(),
- fIdx,
- this->curVolVars_(),
- onBoundary);
-
- flux = 0;
- asImp_()->computeAdvectiveFlux(flux, fluxVars);
- asImp_()->computeDiffusiveFlux(flux, fluxVars);
- }
-
- /*!
- * \brief Evaluates the advective mass flux of all components over
- * a face of a subcontrol volume.
- *
- * \param flux The advective flux over the sub-control-volume face for each component
- * \param fluxVars The flux variables at the current SCV
- */
-
- void computeAdvectiveFlux(PrimaryVariables &flux, const FluxVariables &fluxVars) const
- {
- Scalar massUpwindWeight = GET_PARAM_FROM_GROUP(TypeTag, Scalar, Implicit, MassUpwindWeight);
-
- ////////
- // advective fluxes of all components in all phases
- ////////
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- {
- // data attached to upstream and the downstream vertices
- // of the current phase
- const VolumeVariables &up = this->curVolVars_(fluxVars.upstreamIdx(phaseIdx));
- const VolumeVariables &dn = this->curVolVars_(fluxVars.downstreamIdx(phaseIdx));
-
- for (int compIdx = 0; compIdx < numComponents; ++compIdx)
- {
- // add advective flux of current component in current
- // phase
- // if alpha > 0 and alpha < 1 then both upstream and downstream
- // nodes need their contribution
- // if alpha == 1 (which is mostly the case) then, the downstream
- // node is not evaluated
- int eqIdx = conti0EqIdx + compIdx;
- flux[eqIdx] += fluxVars.volumeFlux(phaseIdx)
- * (massUpwindWeight
- * up.molarDensity(phaseIdx)
- * up.moleFraction(phaseIdx, compIdx)
- +
- (1.0 - massUpwindWeight)
- * dn.molarDensity(phaseIdx)
- * dn.moleFraction(phaseIdx, compIdx));
- }
- }
- }
-
- /*!
- * \brief Adds the diffusive mass flux of all components over
- * a face of a subcontrol volume.
- *
- * \param flux The diffusive flux over the sub-control-volume face for each component
- * \param fluxVars The flux variables at the current SCV
- */
-
- void computeDiffusiveFlux(PrimaryVariables &flux, const FluxVariables &fluxVars) const
- {
- // TODO: reference!? Dune::FieldMatrix<Scalar, numPhases, numComponents> averagedPorousDiffCoeffMatrix = fluxVars.porousDiffCoeff();
- // add diffusive flux of gas component in liquid phase
- Scalar tmp = - fluxVars.porousDiffCoeff()[wPhaseIdx][gCompIdx] * fluxVars.molarDensity(wPhaseIdx);
- tmp *= (fluxVars.moleFractionCompGGrad(wPhaseIdx) * fluxVars.face().normal);
- Scalar jGW = tmp;
-
- tmp = - fluxVars.porousDiffCoeff()[wPhaseIdx][nCompIdx] * fluxVars.molarDensity(wPhaseIdx);
- tmp *= (fluxVars.moleFractionCompNGrad(wPhaseIdx) * fluxVars.face().normal);
- Scalar jNW = tmp;
-
- Scalar jWW = -(jGW+jNW);
-
- tmp = - fluxVars.porousDiffCoeff()[gPhaseIdx][wCompIdx] * fluxVars.molarDensity(gPhaseIdx);
- tmp *= (fluxVars.moleFractionCompWGrad(gPhaseIdx) * fluxVars.face().normal);
- Scalar jWG = tmp;
-
- tmp = - fluxVars.porousDiffCoeff()[gPhaseIdx][nCompIdx] * fluxVars.molarDensity(gPhaseIdx);
- tmp *= (fluxVars.moleFractionCompNGrad(gPhaseIdx) * fluxVars.face().normal);
- Scalar jNG = tmp;
-
- Scalar jGG = -(jWG+jNG);
-
- tmp = - fluxVars.porousDiffCoeff()[nPhaseIdx][wCompIdx] * fluxVars.molarDensity(nPhaseIdx);
- tmp *= (fluxVars.moleFractionCompWGrad(nPhaseIdx) * fluxVars.face().normal);
- Scalar jWN = tmp;
-
- tmp = - fluxVars.porousDiffCoeff()[nPhaseIdx][gCompIdx] * fluxVars.molarDensity(nPhaseIdx);
- tmp *= (fluxVars.moleFractionCompGGrad(nPhaseIdx) * fluxVars.face().normal);
- Scalar jGN = tmp;
-
- Scalar jNN = -(jGN+jWN);
-
- flux[conti0EqIdx] += jWW+jWG+jWN;
- flux[conti1EqIdx] += jNW+jNG+jNN;
- flux[conti2EqIdx] += jGW+jGG+jGN;
- }
-
-protected:
- Implementation *asImp_()
- {
- return static_cast<Implementation *> (this);
- }
-
- const Implementation *asImp_() const
- {
- return static_cast<const Implementation *> (this);
- }
-};
-
-} // end namespace
+#include <dumux/porousmediumflow/3p3c/implicit/localresidual.hh>
#endif
diff --git a/dumux/implicit/3p3c/3p3cmodel.hh b/dumux/implicit/3p3c/3p3cmodel.hh
index dacdf5d80b..faaca36f3a 100644
--- a/dumux/implicit/3p3c/3p3cmodel.hh
+++ b/dumux/implicit/3p3c/3p3cmodel.hh
@@ -1,1020 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \file
- *
- * \brief Adaption of the fully implicit scheme to the three-phase three-component
- * flow model.
- *
- * The model is designed for simulating three fluid phases with water, gas, and
- * a liquid contaminant (NAPL - non-aqueous phase liquid)
- */
-#ifndef DUMUX_3P3C_MODEL_HH
-#define DUMUX_3P3C_MODEL_HH
+#ifndef DUMUX_3P3C_MODEL_HH_OLD
+#define DUMUX_3P3C_MODEL_HH_OLD
-#include <dumux/porousmediumflow/implicit/velocityoutput.hh>
-#include "3p3cproperties.hh"
+#warning this header is deprecated, use dumux/porousmediumflow/3p3c/implicit/model.hh instead
-namespace Dumux
-{
-/*!
- * \ingroup ThreePThreeCModel
- * \brief Adaption of the fully implicit scheme to the three-phase three-component
- * flow model.
- *
- * This model implements three-phase three-component flow of three fluid phases
- * \f$\alpha \in \{ water, gas, NAPL \}\f$ each composed of up to three components
- * \f$\kappa \in \{ water, air, contaminant \}\f$. The standard multiphase Darcy
- * approach is used as the equation for the conservation of momentum:
- * \f[
- v_\alpha = - \frac{k_{r\alpha}}{\mu_\alpha} \mathbf{K}
- \left(\textbf{grad}\, p_\alpha - \varrho_{\alpha} \mbox{\bf g} \right)
- * \f]
- *
- * By inserting this into the equations for the conservation of the
- * components, one transport equation for each component is obtained as
- * \f{eqnarray*}
- && \phi \frac{\partial (\sum_\alpha \varrho_{\alpha,mol} x_\alpha^\kappa
- S_\alpha )}{\partial t}
- - \sum\limits_\alpha \text{div} \left\{ \frac{k_{r\alpha}}{\mu_\alpha}
- \varrho_{\alpha,mol} x_\alpha^\kappa \mathbf{K}
- (\textbf{grad}\, p_\alpha - \varrho_{\alpha,mass} \mbox{\bf g}) \right\}
- \nonumber \\
- \nonumber \\
- && - \sum\limits_\alpha \text{div} \left\{ D_\text{pm}^\kappa \varrho_{\alpha,mol}
- \textbf{grad} x^\kappa_{\alpha} \right\}
- - q^\kappa = 0 \qquad \forall \kappa , \; \forall \alpha
- \f}
- *
- * Note that these balance equations are molar.
- *
- * All equations are discretized using a vertex-centered finite volume (box)
- * or cell-centered finite volume scheme as spatial
- * and the implicit Euler method as time discretization.
- *
- * The model uses commonly applied auxiliary conditions like
- * \f$S_w + S_n + S_g = 1\f$ for the saturations and
- * \f$x^w_\alpha + x^a_\alpha + x^c_\alpha = 1\f$ for the mole fractions.
- * Furthermore, the phase pressures are related to each other via
- * capillary pressures between the fluid phases, which are functions of
- * the saturation, e.g. according to the approach of Parker et al.
- *
- * The used primary variables are dependent on the locally present fluid phases.
- * An adaptive primary variable switch is included. The phase state is stored for all nodes
- * of the system. The following cases can be distinguished:
- * <ul>
- * <li> All three phases are present: Primary variables are two saturations \f$(S_w\f$ and \f$S_n)\f$,
- * and a pressure, in this case \f$p_g\f$. </li>
- * <li> Only the water phase is present: Primary variables are now the mole fractions of air and
- * contaminant in the water phase \f$(x_w^a\f$ and \f$x_w^c)\f$, as well as the gas pressure, which is,
- * of course, in a case where only the water phase is present, just the same as the water pressure. </li>
- * <li> Gas and NAPL phases are present: Primary variables \f$(S_n\f$, \f$x_g^w\f$, \f$p_g)\f$. </li>
- * <li> Water and NAPL phases are present: Primary variables \f$(S_n\f$, \f$x_w^a\f$, \f$p_g)\f$. </li>
- * <li> Only gas phase is present: Primary variables \f$(x_g^w\f$, \f$x_g^c\f$, \f$p_g)\f$. </li>
- * <li> Water and gas phases are present: Primary variables \f$(S_w\f$, \f$x_w^g\f$, \f$p_g)\f$. </li>
- * </ul>
- */
-template<class TypeTag>
-class ThreePThreeCModel: public GET_PROP_TYPE(TypeTag, BaseModel)
-{
- typedef typename GET_PROP_TYPE(TypeTag, BaseModel) ParentType;
-
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
- typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
-
- typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
- typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
- typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
- typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
- typedef typename GET_PROP_TYPE(TypeTag, SolutionVector) SolutionVector;
- typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
-
- enum {
- dim = GridView::dimension,
- dimWorld = GridView::dimensionworld,
-
- numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
- numComponents = GET_PROP_VALUE(TypeTag, NumComponents),
-
- switch1Idx = Indices::switch1Idx,
- switch2Idx = Indices::switch2Idx,
-
-
- wPhaseIdx = Indices::wPhaseIdx,
- nPhaseIdx = Indices::nPhaseIdx,
- gPhaseIdx = Indices::gPhaseIdx,
-
- wCompIdx = Indices::wCompIdx,
- nCompIdx = Indices::nCompIdx,
- gCompIdx = Indices::gCompIdx,
-
- threePhases = Indices::threePhases,
- wPhaseOnly = Indices::wPhaseOnly,
- gnPhaseOnly = Indices::gnPhaseOnly,
- wnPhaseOnly = Indices::wnPhaseOnly,
- gPhaseOnly = Indices::gPhaseOnly,
- wgPhaseOnly = Indices::wgPhaseOnly
-
- };
-
- typedef Dune::FieldVector<Scalar, dimWorld> GlobalPosition;
- enum { isBox = GET_PROP_VALUE(TypeTag, ImplicitIsBox) };
- enum { dofCodim = isBox ? dim : 0 };
-
-public:
- /*!
- * \brief Initialize the static data with the initial solution.
- *
- * \param problem The problem to be solved
- */
- void init(Problem &problem)
- {
- ParentType::init(problem);
-
- staticDat_.resize(this->numDofs());
-
- setSwitched_(false);
-
- if (isBox)
- {
- for (const auto& vertex : Dune::vertices(this->gridView_()))
- {
- int vIdxGlobal = this->dofMapper().index(vertex);
-
- const GlobalPosition &globalPos = vertex.geometry().corner(0);
-
- // initialize phase presence
- staticDat_[vIdxGlobal].phasePresence
- = this->problem_().initialPhasePresence(vertex, vIdxGlobal,
- globalPos);
- staticDat_[vIdxGlobal].wasSwitched = false;
-
- staticDat_[vIdxGlobal].oldPhasePresence
- = staticDat_[vIdxGlobal].phasePresence;
- }
- }
- else
- {
- for (const auto& element : Dune::elements(this->gridView_()))
- {
- int eIdxGlobal = this->dofMapper().index(element);
- const GlobalPosition &globalPos = element.geometry().center();
-
- // initialize phase presence
- staticDat_[eIdxGlobal].phasePresence
- = this->problem_().initialPhasePresence(*this->gridView_().template begin<dim> (),
- eIdxGlobal, globalPos);
- staticDat_[eIdxGlobal].wasSwitched = false;
-
- staticDat_[eIdxGlobal].oldPhasePresence
- = staticDat_[eIdxGlobal].phasePresence;
- }
- }
- }
-
- /*!
- * \brief Compute the total storage inside one phase of all
- * conservation quantities.
- *
- * \param storage Contains the storage of each component for one phase
- * \param phaseIdx The phase index
- */
- void globalPhaseStorage(PrimaryVariables &storage, const int phaseIdx)
- {
- storage = 0;
-
- for (const auto& element : Dune::elements(this->gridView_())) {
- if(element.partitionType() == Dune::InteriorEntity)
- {
- this->localResidual().evalPhaseStorage(element, phaseIdx);
-
- for (unsigned int i = 0; i < this->localResidual().storageTerm().size(); ++i)
- storage += this->localResidual().storageTerm()[i];
- }
- }
- if (this->gridView_().comm().size() > 1)
- storage = this->gridView_().comm().sum(storage);
- }
-
-
- /*!
- * \brief Called by the update() method if applying the newton
- * method was unsuccessful.
- */
- void updateFailed()
- {
- ParentType::updateFailed();
-
- setSwitched_(false);
- resetPhasePresence_();
- };
-
- /*!
- * \brief Called by the problem if a time integration was
- * successful, post processing of the solution is done and the
- * result has been written to disk.
- *
- * This should prepare the model for the next time integration.
- */
- void advanceTimeLevel()
- {
- ParentType::advanceTimeLevel();
-
- // update the phase state
- updateOldPhasePresence_();
- setSwitched_(false);
- }
-
- /*!
- * \brief Return true if the primary variables were switched for
- * at least one vertex after the last timestep.
- */
- bool switched() const
- {
- return switchFlag_;
- }
-
- /*!
- * \brief Returns the phase presence of the current or the old solution of a degree of freedom.
- *
- * \param dofIdxGlobal The global index of the degree of freedom
- * \param oldSol Evaluate function with solution of current or previous time step
- */
- int phasePresence(int dofIdxGlobal, bool oldSol) const
- {
- return
- oldSol
- ? staticDat_[dofIdxGlobal].oldPhasePresence
- : staticDat_[dofIdxGlobal].phasePresence;
- }
-
- /*!
- * \brief Append all quantities of interest which can be derived
- * from the solution of the current time step to the VTK
- * writer.
- *
- * \param sol The solution vector
- * \param writer The writer for multi-file VTK datasets
- */
- template<class MultiWriter>
- void addOutputVtkFields(const SolutionVector &sol,
- MultiWriter &writer)
- {
- typedef Dune::BlockVector<Dune::FieldVector<double, 1> > ScalarField;
- typedef Dune::BlockVector<Dune::FieldVector<double, dimWorld> > VectorField;
-
- // get the number of degrees of freedom
- unsigned numDofs = this->numDofs();
-
- // create the required scalar fields
- ScalarField *saturation[numPhases];
- ScalarField *pressure[numPhases];
- ScalarField *density[numPhases];
-
- for (int phaseIdx = 0; phaseIdx < numPhases; ++ phaseIdx) {
- saturation[phaseIdx] = writer.allocateManagedBuffer(numDofs);
- pressure[phaseIdx] = writer.allocateManagedBuffer(numDofs);
- density[phaseIdx] = writer.allocateManagedBuffer(numDofs);
- }
-
- ScalarField *phasePresence = writer.allocateManagedBuffer (numDofs);
- ScalarField *moleFraction[numPhases][numComponents];
- for (int i = 0; i < numPhases; ++i)
- for (int j = 0; j < numComponents; ++j)
- moleFraction[i][j] = writer.allocateManagedBuffer (numDofs);
- ScalarField *temperature = writer.allocateManagedBuffer (numDofs);
- ScalarField *poro = writer.allocateManagedBuffer(numDofs);
- VectorField *velocityN = writer.template allocateManagedBuffer<double, dimWorld>(numDofs);
- VectorField *velocityW = writer.template allocateManagedBuffer<double, dimWorld>(numDofs);
- VectorField *velocityG = writer.template allocateManagedBuffer<double, dimWorld>(numDofs);
- ImplicitVelocityOutput<TypeTag> velocityOutput(this->problem_());
-
- if (velocityOutput.enableOutput()) // check if velocity output is demanded
- {
- // initialize velocity fields
- for (unsigned int i = 0; i < numDofs; ++i)
- {
- (*velocityN)[i] = Scalar(0);
- (*velocityW)[i] = Scalar(0);
- (*velocityG)[i] = Scalar(0);
- }
- }
-
- unsigned numElements = this->gridView_().size(0);
- ScalarField *rank = writer.allocateManagedBuffer (numElements);
-
- for (const auto& element : Dune::elements(this->gridView_()))
- {
- if(element.partitionType() == Dune::InteriorEntity)
- {
- int eIdx = this->problem_().elementMapper().index(element);
- (*rank)[eIdx] = this->gridView_().comm().rank();
-
- FVElementGeometry fvGeometry;
- fvGeometry.update(this->gridView_(), element);
-
-
- ElementVolumeVariables elemVolVars;
- elemVolVars.update(this->problem_(),
- element,
- fvGeometry,
- false /* oldSol? */);
-
- for (int scvIdx = 0; scvIdx < fvGeometry.numScv; ++scvIdx)
- {
- int dofIdxGlobal = this->dofMapper().subIndex(element, scvIdx, dofCodim);
-
- for (int phaseIdx = 0; phaseIdx < numPhases; ++ phaseIdx) {
- (*saturation[phaseIdx])[dofIdxGlobal] = elemVolVars[scvIdx].saturation(phaseIdx);
- (*pressure[phaseIdx])[dofIdxGlobal] = elemVolVars[scvIdx].pressure(phaseIdx);
- (*density[phaseIdx])[dofIdxGlobal] = elemVolVars[scvIdx].density(phaseIdx);
- }
-
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
- for (int compIdx = 0; compIdx < numComponents; ++compIdx) {
- (*moleFraction[phaseIdx][compIdx])[dofIdxGlobal] =
- elemVolVars[scvIdx].moleFraction(phaseIdx,
- compIdx);
-
- Valgrind::CheckDefined((*moleFraction[phaseIdx][compIdx])[dofIdxGlobal]);
- }
- }
-
- (*poro)[dofIdxGlobal] = elemVolVars[scvIdx].porosity();
- (*temperature)[dofIdxGlobal] = elemVolVars[scvIdx].temperature();
- (*phasePresence)[dofIdxGlobal] = staticDat_[dofIdxGlobal].phasePresence;
- }
-
- // velocity output
- velocityOutput.calculateVelocity(*velocityW, elemVolVars, fvGeometry, element, wPhaseIdx);
- velocityOutput.calculateVelocity(*velocityN, elemVolVars, fvGeometry, element, nPhaseIdx);
- velocityOutput.calculateVelocity(*velocityN, elemVolVars, fvGeometry, element, gPhaseIdx);
- }
- }
-
- writer.attachDofData(*saturation[wPhaseIdx], "Sw", isBox);
- writer.attachDofData(*saturation[nPhaseIdx], "Sn", isBox);
- writer.attachDofData(*saturation[gPhaseIdx], "Sg", isBox);
- writer.attachDofData(*pressure[wPhaseIdx], "pw", isBox);
- writer.attachDofData(*pressure[nPhaseIdx], "pn", isBox);
- writer.attachDofData(*pressure[gPhaseIdx], "pg", isBox);
- writer.attachDofData(*density[wPhaseIdx], "rhow", isBox);
- writer.attachDofData(*density[nPhaseIdx], "rhon", isBox);
- writer.attachDofData(*density[gPhaseIdx], "rhog", isBox);
-
- for (int i = 0; i < numPhases; ++i)
- {
- for (int j = 0; j < numComponents; ++j)
- {
- std::ostringstream oss;
- oss << "x^"
- << FluidSystem::componentName(j)
- << "_"
- << FluidSystem::phaseName(i);
- writer.attachDofData(*moleFraction[i][j], oss.str().c_str(), isBox);
- }
- }
- writer.attachDofData(*poro, "porosity", isBox);
- writer.attachDofData(*temperature, "temperature", isBox);
- writer.attachDofData(*phasePresence, "phase presence", isBox);
-
- if (velocityOutput.enableOutput()) // check if velocity output is demanded
- {
- writer.attachDofData(*velocityW, "velocityW", isBox, dim);
- writer.attachDofData(*velocityN, "velocityN", isBox, dim);
- writer.attachDofData(*velocityG, "velocityG", isBox, dim);
- }
-
- writer.attachCellData(*rank, "process rank");
- }
-
- /*!
- * \brief Write the current solution to a restart file.
- *
- * \param outStream The output stream of one entity for the restart file
- * \param entity The entity, either a vertex or an element
- */
- template<class Entity>
- void serializeEntity(std::ostream &outStream, const Entity &entity)
- {
- // write primary variables
- ParentType::serializeEntity(outStream, entity);
-
- int dofIdxGlobal = this->dofMapper().index(entity);
-
- if (!outStream.good())
- DUNE_THROW(Dune::IOError, "Could not serialize entity " << dofIdxGlobal);
-
- outStream << staticDat_[dofIdxGlobal].phasePresence << " ";
- }
-
- /*!
- * \brief Reads the current solution from a restart file.
- *
- * \param inStream The input stream of one entity from the restart file
- * \param entity The entity, either a vertex or an element
- */
- template<class Entity>
- void deserializeEntity(std::istream &inStream, const Entity &entity)
- {
- // read primary variables
- ParentType::deserializeEntity(inStream, entity);
-
- // read phase presence
- int dofIdxGlobal = this->dofMapper().index(entity);
-
- if (!inStream.good())
- DUNE_THROW(Dune::IOError,
- "Could not deserialize entity " << dofIdxGlobal);
-
- inStream >> staticDat_[dofIdxGlobal].phasePresence;
- staticDat_[dofIdxGlobal].oldPhasePresence
- = staticDat_[dofIdxGlobal].phasePresence;
-
- }
-
- /*!
- * \brief Update the static data of all vertices in the grid.
- *
- * \param curGlobalSol The current global solution
- * \param oldGlobalSol The previous global solution
- */
- void updateStaticData(SolutionVector &curGlobalSol,
- const SolutionVector &oldGlobalSol)
- {
- bool wasSwitched = false;
- int succeeded;
- try {
-
- for (unsigned i = 0; i < staticDat_.size(); ++i)
- staticDat_[i].visited = false;
-
- FVElementGeometry fvGeometry;
- static VolumeVariables volVars;
- for (const auto& element : Dune::elements(this->gridView_()))
- {
- fvGeometry.update(this->gridView_(), element);
- for (int scvIdx = 0; scvIdx < fvGeometry.numScv; ++scvIdx)
- {
- int dofIdxGlobal = this->dofMapper().subIndex(element, scvIdx, dofCodim);
-
- if (staticDat_[dofIdxGlobal].visited)
- continue;
-
- staticDat_[dofIdxGlobal].visited = true;
- volVars.update(curGlobalSol[dofIdxGlobal],
- this->problem_(),
- element,
- fvGeometry,
- scvIdx,
- false);
- const GlobalPosition &globalPos = fvGeometry.subContVol[scvIdx].global;
- if (primaryVarSwitch_(curGlobalSol,
- volVars,
- dofIdxGlobal,
- globalPos))
- {
- this->jacobianAssembler().markDofRed(dofIdxGlobal);
- wasSwitched = true;
- }
- }
- }
- succeeded = 1;
- }
- catch (Dumux::NumericalProblem &e)
- {
- std::cout << "\n"
- << "Rank " << this->problem_().gridView().comm().rank()
- << " caught an exception while updating the static data." << e.what()
- << "\n";
- succeeded = 0;
- }
- //make sure that all processes succeeded. If not throw a NumericalProblem to decrease the time step size.
- if (this->gridView_().comm().size() > 1)
- succeeded = this->gridView_().comm().min(succeeded);
-
- if (!succeeded) {
- DUNE_THROW(NumericalProblem,
- "A process did not succeed in updating the static data.");
- return;
- }
-
- // make sure that if there was a variable switch in an
- // other partition we will also set the switch flag
- // for our partition.
- if (this->gridView_().comm().size() > 1)
- wasSwitched = this->gridView_().comm().max(wasSwitched);
-
- setSwitched_(wasSwitched);
- }
-
-protected:
- /*!
- * \brief Data which is attached to each vertex and is not only
- * stored locally.
- */
- struct StaticVars
- {
- int phasePresence;
- bool wasSwitched;
-
- int oldPhasePresence;
- bool visited;
- };
-
- /*!
- * \brief Reset the current phase presence of all vertices to the old one.
- *
- * This is done after an update failed.
- */
- void resetPhasePresence_()
- {
- for (unsigned int i = 0; i < this->numDofs(); ++i)
- {
- staticDat_[i].phasePresence
- = staticDat_[i].oldPhasePresence;
- staticDat_[i].wasSwitched = false;
- }
- }
-
- /*!
- * \brief Set the old phase of all verts state to the current one.
- */
- void updateOldPhasePresence_()
- {
- for (unsigned int i = 0; i < this->numDofs(); ++i)
- {
- staticDat_[i].oldPhasePresence
- = staticDat_[i].phasePresence;
- staticDat_[i].wasSwitched = false;
- }
- }
-
- /*!
- * \brief Set whether there was a primary variable switch after in
- * the last timestep.
- */
- void setSwitched_(bool yesno)
- {
- switchFlag_ = yesno;
- }
-
- // perform variable switch at a vertex; Returns true if a
- // variable switch was performed.
- bool primaryVarSwitch_(SolutionVector &globalSol,
- const VolumeVariables &volVars,
- int dofIdxGlobal,
- const GlobalPosition &globalPos)
- {
- // evaluate primary variable switch
- bool wouldSwitch = false;
- int phasePresence = staticDat_[dofIdxGlobal].phasePresence;
- int newPhasePresence = phasePresence;
-
- // check if a primary var switch is necessary
- if (phasePresence == threePhases)
- {
- Scalar Smin = 0;
- if (staticDat_[dofIdxGlobal].wasSwitched)
- Smin = -0.01;
-
- if (volVars.saturation(gPhaseIdx) <= Smin)
- {
- wouldSwitch = true;
- // gas phase disappears
- std::cout << "Gas phase disappears at vertex " << dofIdxGlobal
- << ", coordinates: " << globalPos << ", sg: "
- << volVars.saturation(gPhaseIdx) << std::endl;
- newPhasePresence = wnPhaseOnly;
-
- globalSol[dofIdxGlobal][switch1Idx]
- = volVars.moleFraction(wPhaseIdx, gCompIdx);
- }
- else if (volVars.saturation(wPhaseIdx) <= Smin)
- {
- wouldSwitch = true;
- // water phase disappears
- std::cout << "Water phase disappears at vertex " << dofIdxGlobal
- << ", coordinates: " << globalPos << ", sw: "
- << volVars.saturation(wPhaseIdx) << std::endl;
- newPhasePresence = gnPhaseOnly;
-
- globalSol[dofIdxGlobal][switch1Idx]
- = volVars.moleFraction(gPhaseIdx, wCompIdx);
- }
- else if (volVars.saturation(nPhaseIdx) <= Smin)
- {
- wouldSwitch = true;
- // NAPL phase disappears
- std::cout << "NAPL phase disappears at vertex " << dofIdxGlobal
- << ", coordinates: " << globalPos << ", sn: "
- << volVars.saturation(nPhaseIdx) << std::endl;
- newPhasePresence = wgPhaseOnly;
-
- globalSol[dofIdxGlobal][switch2Idx]
- = volVars.moleFraction(gPhaseIdx, nCompIdx);
- }
- }
- else if (phasePresence == wPhaseOnly)
- {
- bool gasFlag = 0;
- bool nonwettingFlag = 0;
- // calculate fractions of the partial pressures in the
- // hypothetical gas phase
- Scalar xwg = volVars.moleFraction(gPhaseIdx, wCompIdx);
- Scalar xgg = volVars.moleFraction(gPhaseIdx, gCompIdx);
- Scalar xng = volVars.moleFraction(gPhaseIdx, nCompIdx);
- /* take care:
- for xgg in case wPhaseOnly we compute xgg=henry_air*x2w
- for xwg in case wPhaseOnly we compute xwg=pwsat
- for xng in case wPhaseOnly we compute xng=henry_NAPL*x1w
- */
-
- Scalar xgMax = 1.0;
- if (xwg + xgg + xng > xgMax)
- wouldSwitch = true;
- if (staticDat_[dofIdxGlobal].wasSwitched)
- xgMax *= 1.02;
-
- // if the sum of the mole fractions would be larger than
- // 100%, gas phase appears
- if (xwg + xgg + xng > xgMax)
- {
- // gas phase appears
- std::cout << "gas phase appears at vertex " << dofIdxGlobal
- << ", coordinates: " << globalPos << ", xwg + xgg + xng: "
- << xwg + xgg + xng << std::endl;
- gasFlag = 1;
- }
-
- // calculate fractions in the hypothetical NAPL phase
- Scalar xnn = volVars.moleFraction(nPhaseIdx, nCompIdx);
- /* take care:
- for xnn in case wPhaseOnly we compute xnn=henry_mesitylene*x1w,
- where a hypothetical gas pressure is assumed for the Henry
- x0n is set to NULL (all NAPL phase is dirty)
- x2n is set to NULL (all NAPL phase is dirty)
- */
-
- Scalar xnMax = 1.0;
- if (xnn > xnMax)
- wouldSwitch = true;
- if (staticDat_[dofIdxGlobal].wasSwitched)
- xnMax *= 1.02;
-
- // if the sum of the hypothetical mole fractions would be larger than
- // 100%, NAPL phase appears
- if (xnn > xnMax)
- {
- // NAPL phase appears
- std::cout << "NAPL phase appears at vertex " << dofIdxGlobal
- << ", coordinates: " << globalPos << ", xnn: "
- << xnn << std::endl;
- nonwettingFlag = 1;
- }
-
- if ((gasFlag == 1) && (nonwettingFlag == 0))
- {
- newPhasePresence = wgPhaseOnly;
- globalSol[dofIdxGlobal][switch1Idx] = 0.9999;
- globalSol[dofIdxGlobal][switch2Idx] = 0.0001;
- }
- else if ((gasFlag == 1) && (nonwettingFlag == 1))
- {
- newPhasePresence = threePhases;
- globalSol[dofIdxGlobal][switch1Idx] = 0.9999;
- globalSol[dofIdxGlobal][switch2Idx] = 0.0001;
- }
- else if ((gasFlag == 0) && (nonwettingFlag == 1))
- {
- newPhasePresence = wnPhaseOnly;
- globalSol[dofIdxGlobal][switch1Idx]
- = volVars.moleFraction(wPhaseIdx, gCompIdx);
- globalSol[dofIdxGlobal][switch2Idx] = 0.0001;
- }
- }
- else if (phasePresence == gnPhaseOnly)
- {
- bool nonwettingFlag = 0;
- bool wettingFlag = 0;
-
- Scalar Smin = 0.0;
- if (staticDat_[dofIdxGlobal].wasSwitched)
- Smin = -0.01;
-
- if (volVars.saturation(nPhaseIdx) <= Smin)
- {
- wouldSwitch = true;
- // NAPL phase disappears
- std::cout << "NAPL phase disappears at vertex " << dofIdxGlobal
- << ", coordinates: " << globalPos << ", sn: "
- << volVars.saturation(nPhaseIdx) << std::endl;
- nonwettingFlag = 1;
- }
-
-
- // calculate fractions of the hypothetical water phase
- Scalar xww = volVars.moleFraction(wPhaseIdx, wCompIdx);
- /*
- take care:, xww, if no water is present, then take xww=xwg*pg/pwsat .
- If this is larger than 1, then water appears
- */
- Scalar xwMax = 1.0;
- if (xww > xwMax)
- wouldSwitch = true;
- if (staticDat_[dofIdxGlobal].wasSwitched)
- xwMax *= 1.02;
-
- // if the sum of the mole fractions would be larger than
- // 100%, gas phase appears
- if (xww > xwMax)
- {
- // water phase appears
- std::cout << "water phase appears at vertex " << dofIdxGlobal
- << ", coordinates: " << globalPos << ", xww=xwg*pg/pwsat : "
- << xww << std::endl;
- wettingFlag = 1;
- }
-
- if ((wettingFlag == 1) && (nonwettingFlag == 0))
- {
- newPhasePresence = threePhases;
- globalSol[dofIdxGlobal][switch1Idx] = 0.0001;
- globalSol[dofIdxGlobal][switch2Idx] = volVars.saturation(nPhaseIdx);
- }
- else if ((wettingFlag == 1) && (nonwettingFlag == 1))
- {
- newPhasePresence = wgPhaseOnly;
- globalSol[dofIdxGlobal][switch1Idx] = 0.0001;
- globalSol[dofIdxGlobal][switch2Idx]
- = volVars.moleFraction(gPhaseIdx, nCompIdx);
- }
- else if ((wettingFlag == 0) && (nonwettingFlag == 1))
- {
- newPhasePresence = gPhaseOnly;
- globalSol[dofIdxGlobal][switch1Idx]
- = volVars.moleFraction(gPhaseIdx, wCompIdx);
- globalSol[dofIdxGlobal][switch2Idx]
- = volVars.moleFraction(gPhaseIdx, nCompIdx);
- }
- }
- else if (phasePresence == wnPhaseOnly)
- {
- bool nonwettingFlag = 0;
- bool gasFlag = 0;
-
- Scalar Smin = 0.0;
- if (staticDat_[dofIdxGlobal].wasSwitched)
- Smin = -0.01;
-
- if (volVars.saturation(nPhaseIdx) <= Smin)
- {
- wouldSwitch = true;
- // NAPL phase disappears
- std::cout << "NAPL phase disappears at vertex " << dofIdxGlobal
- << ", coordinates: " << globalPos << ", sn: "
- << volVars.saturation(nPhaseIdx) << std::endl;
- nonwettingFlag = 1;
- }
-
- // calculate fractions of the partial pressures in the
- // hypothetical gas phase
- Scalar xwg = volVars.moleFraction(gPhaseIdx, wCompIdx);
- Scalar xgg = volVars.moleFraction(gPhaseIdx, gCompIdx);
- Scalar xng = volVars.moleFraction(gPhaseIdx, nCompIdx);
- /* take care:
- for xgg in case wPhaseOnly we compute xgg=henry_air*x2w
- for xwg in case wPhaseOnly we compute xwg=pwsat
- for xng in case wPhaseOnly we compute xng=henry_NAPL*x1w
- */
- Scalar xgMax = 1.0;
- if (xwg + xgg + xng > xgMax)
- wouldSwitch = true;
- if (staticDat_[dofIdxGlobal].wasSwitched)
- xgMax *= 1.02;
-
- // if the sum of the mole fractions would be larger than
- // 100%, gas phase appears
- if (xwg + xgg + xng > xgMax)
- {
- // gas phase appears
- std::cout << "gas phase appears at vertex " << dofIdxGlobal
- << ", coordinates: " << globalPos << ", xwg + xgg + xng: "
- << xwg + xgg + xng << std::endl;
- gasFlag = 1;
- }
-
- if ((gasFlag == 1) && (nonwettingFlag == 0))
- {
- newPhasePresence = threePhases;
- globalSol[dofIdxGlobal][switch1Idx] = volVars.saturation(wPhaseIdx);
- globalSol[dofIdxGlobal][switch2Idx] = volVars.saturation(nPhaseIdx);
- }
- else if ((gasFlag == 1) && (nonwettingFlag == 1))
- {
- newPhasePresence = wgPhaseOnly;
- globalSol[dofIdxGlobal][switch1Idx] = volVars.saturation(wPhaseIdx);
- globalSol[dofIdxGlobal][switch2Idx]
- = volVars.moleFraction(gPhaseIdx, nCompIdx);
- }
- else if ((gasFlag == 0) && (nonwettingFlag == 1))
- {
- newPhasePresence = wPhaseOnly;
- globalSol[dofIdxGlobal][switch1Idx]
- = volVars.moleFraction(wPhaseIdx, gCompIdx);
- globalSol[dofIdxGlobal][switch2Idx]
- = volVars.moleFraction(wPhaseIdx, nCompIdx);
- }
- }
- else if (phasePresence == gPhaseOnly)
- {
- bool nonwettingFlag = 0;
- bool wettingFlag = 0;
-
- // calculate fractions in the hypothetical NAPL phase
- Scalar xnn = volVars.moleFraction(nPhaseIdx, nCompIdx);
- /*
- take care:, xnn, if no NAPL phase is there, take xnn=xng*pg/pcsat
- if this is larger than 1, then NAPL appears
- */
-
- Scalar xnMax = 1.0;
- if (xnn > xnMax)
- wouldSwitch = true;
- if (staticDat_[dofIdxGlobal].wasSwitched)
- xnMax *= 1.02;
-
- // if the sum of the hypothetical mole fraction would be larger than
- // 100%, NAPL phase appears
- if (xnn > xnMax)
- {
- // NAPL phase appears
- std::cout << "NAPL phase appears at vertex " << dofIdxGlobal
- << ", coordinates: " << globalPos << ", xnn: "
- << xnn << std::endl;
- nonwettingFlag = 1;
- }
- // calculate fractions of the hypothetical water phase
- Scalar xww = volVars.moleFraction(wPhaseIdx, wCompIdx);
- /*
- take care:, xww, if no water is present, then take xww=xwg*pg/pwsat .
- If this is larger than 1, then water appears
- */
- Scalar xwMax = 1.0;
- if (xww > xwMax)
- wouldSwitch = true;
- if (staticDat_[dofIdxGlobal].wasSwitched)
- xwMax *= 1.02;
-
- // if the sum of the mole fractions would be larger than
- // 100%, gas phase appears
- if (xww > xwMax)
- {
- // water phase appears
- std::cout << "water phase appears at vertex " << dofIdxGlobal
- << ", coordinates: " << globalPos << ", xww=xwg*pg/pwsat : "
- << xww << std::endl;
- wettingFlag = 1;
- }
- if ((wettingFlag == 1) && (nonwettingFlag == 0))
- {
- newPhasePresence = wgPhaseOnly;
- globalSol[dofIdxGlobal][switch1Idx] = 0.0001;
- globalSol[dofIdxGlobal][switch2Idx]
- = volVars.moleFraction(gPhaseIdx, nCompIdx);
- }
- else if ((wettingFlag == 1) && (nonwettingFlag == 1))
- {
- newPhasePresence = threePhases;
- globalSol[dofIdxGlobal][switch1Idx] = 0.0001;
- globalSol[dofIdxGlobal][switch2Idx] = 0.0001;
- }
- else if ((wettingFlag == 0) && (nonwettingFlag == 1))
- {
- newPhasePresence = gnPhaseOnly;
- globalSol[dofIdxGlobal][switch1Idx]
- = volVars.moleFraction(gPhaseIdx, wCompIdx);
- globalSol[dofIdxGlobal][switch2Idx] = 0.0001;
- }
- }
- else if (phasePresence == wgPhaseOnly)
- {
- bool nonwettingFlag = 0;
- bool gasFlag = 0;
- bool wettingFlag = 0;
-
- // get the fractions in the hypothetical NAPL phase
- Scalar xnn = volVars.moleFraction(nPhaseIdx, nCompIdx);
-
- // take care: if the NAPL phase is not present, take
- // xnn=xng*pg/pcsat if this is larger than 1, then NAPL
- // appears
- Scalar xnMax = 1.0;
- if (xnn > xnMax)
- wouldSwitch = true;
- if (staticDat_[dofIdxGlobal].wasSwitched)
- xnMax *= 1.02;
-
- // if the sum of the hypothetical mole fraction would be larger than
- // 100%, NAPL phase appears
- if (xnn > xnMax)
- {
- // NAPL phase appears
- std::cout << "NAPL phase appears at vertex " << dofIdxGlobal
- << ", coordinates: " << globalPos << ", xnn: "
- << xnn << std::endl;
- nonwettingFlag = 1;
- }
-
- Scalar Smin = -1.e-6;
- if (staticDat_[dofIdxGlobal].wasSwitched)
- Smin = -0.01;
-
- if (volVars.saturation(gPhaseIdx) <= Smin)
- {
- wouldSwitch = true;
- // gas phase disappears
- std::cout << "Gas phase disappears at vertex " << dofIdxGlobal
- << ", coordinates: " << globalPos << ", sg: "
- << volVars.saturation(gPhaseIdx) << std::endl;
- gasFlag = 1;
- }
-
- Smin = 0.0;
- if (staticDat_[dofIdxGlobal].wasSwitched)
- Smin = -0.01;
-
- if (volVars.saturation(wPhaseIdx) <= Smin)
- {
- wouldSwitch = true;
- // gas phase disappears
- std::cout << "Water phase disappears at vertex " << dofIdxGlobal
- << ", coordinates: " << globalPos << ", sw: "
- << volVars.saturation(wPhaseIdx) << std::endl;
- wettingFlag = 1;
- }
-
- if ((gasFlag == 0) && (nonwettingFlag == 1) && (wettingFlag == 1))
- {
- newPhasePresence = gnPhaseOnly;
- globalSol[dofIdxGlobal][switch1Idx]
- = volVars.moleFraction(gPhaseIdx, wCompIdx);
- globalSol[dofIdxGlobal][switch2Idx] = 0.0001;
- }
- else if ((gasFlag == 0) && (nonwettingFlag == 1) && (wettingFlag == 0))
- {
- newPhasePresence = threePhases;
- globalSol[dofIdxGlobal][switch1Idx] = volVars.saturation(wPhaseIdx);
- globalSol[dofIdxGlobal][switch2Idx] = 0.0;
- }
- else if ((gasFlag == 1) && (nonwettingFlag == 0) && (wettingFlag == 0))
- {
- newPhasePresence = wPhaseOnly;
- globalSol[dofIdxGlobal][switch1Idx]
- = volVars.moleFraction(wPhaseIdx, gCompIdx);
- globalSol[dofIdxGlobal][switch2Idx]
- = volVars.moleFraction(wPhaseIdx, nCompIdx);
- }
- else if ((gasFlag == 0) && (nonwettingFlag == 0) && (wettingFlag == 1))
- {
- newPhasePresence = gPhaseOnly;
- globalSol[dofIdxGlobal][switch1Idx]
- = volVars.moleFraction(gPhaseIdx, wCompIdx);
- globalSol[dofIdxGlobal][switch2Idx]
- = volVars.moleFraction(gPhaseIdx, nCompIdx);
- }
- }
-
- staticDat_[dofIdxGlobal].phasePresence = newPhasePresence;
- staticDat_[dofIdxGlobal].wasSwitched = wouldSwitch;
- return phasePresence != newPhasePresence;
- }
-
- // parameters given in constructor
- std::vector<StaticVars> staticDat_;
- bool switchFlag_;
-};
-
-}
-
-#include "3p3cpropertydefaults.hh"
+#include <dumux/porousmediumflow/3p3c/implicit/model.hh>
#endif
diff --git a/dumux/implicit/3p3c/3p3cnewtoncontroller.hh b/dumux/implicit/3p3c/3p3cnewtoncontroller.hh
index 11ea75942e..06c9aa33fd 100644
--- a/dumux/implicit/3p3c/3p3cnewtoncontroller.hh
+++ b/dumux/implicit/3p3c/3p3cnewtoncontroller.hh
@@ -1,86 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \file
- * \brief A three-phase three-component specific controller for the newton solver.
- *
- * This controller 'knows' what a 'physically meaningful' solution is
- * which allows the newton method to abort quicker if the solution is
- * way out of bounds.
- */
-#ifndef DUMUX_3P3C_NEWTON_CONTROLLER_HH
-#define DUMUX_3P3C_NEWTON_CONTROLLER_HH
+#ifndef DUMUX_3P3C_NEWTON_CONTROLLER_HH_OLD
+#define DUMUX_3P3C_NEWTON_CONTROLLER_HH_OLD
-#include "3p3cproperties.hh"
+#warning this header is deprecated, use dumux/porousmediumflow/3p3c/implicit/newtoncontroller.hh instead
-#include <dumux/nonlinear/newtoncontroller.hh>
-
-namespace Dumux {
-/*!
- * \ingroup Newton
- * \ingroup ThreePThreeCModel
- * \brief A three-phase three-component specific controller for the newton solver.
- *
- * This controller 'knows' what a 'physically meaningful' solution is
- * which allows the newton method to abort quicker if the solution is
- * way out of bounds.
- */
-template <class TypeTag>
-class ThreePThreeCNewtonController : public NewtonController<TypeTag>
-{
- typedef NewtonController<TypeTag> ParentType;
- typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
- typedef typename GET_PROP_TYPE(TypeTag, SolutionVector) SolutionVector;
-
-public:
- ThreePThreeCNewtonController(const Problem &problem)
- : ParentType(problem)
- {};
-
-
- /*!
- * \brief Called after each Newton update
- *
- * \param uCurrentIter The current global solution vector
- * \param uLastIter The previous global solution vector
- */
- void newtonEndStep(SolutionVector &uCurrentIter,
- const SolutionVector &uLastIter)
- {
- // call the method of the base class
- this->method().model().updateStaticData(uCurrentIter, uLastIter);
- ParentType::newtonEndStep(uCurrentIter, uLastIter);
- }
-
-
- /*!
- * \brief Returns true if the current solution can be considered to
- * be accurate enough
- */
- bool newtonConverged()
- {
- if (this->method().model().switched())
- return false;
-
- return ParentType::newtonConverged();
- };
-};
-}
+#include <dumux/porousmediumflow/3p3c/implicit/newtoncontroller.hh>
#endif
diff --git a/dumux/implicit/3p3c/3p3cproperties.hh b/dumux/implicit/3p3c/3p3cproperties.hh
index 52a2762e8c..8dfef88f6e 100644
--- a/dumux/implicit/3p3c/3p3cproperties.hh
+++ b/dumux/implicit/3p3c/3p3cproperties.hh
@@ -1,82 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \ingroup Properties
- * \ingroup ImplicitProperties
- * \ingroup ThreePThreeCModel
- */
-/*!
- * \file
- *
- * \brief Defines the properties required for the three-phase three-component
- * fully implicit model.
- */
-#ifndef DUMUX_3P3C_PROPERTIES_HH
-#define DUMUX_3P3C_PROPERTIES_HH
+#ifndef DUMUX_3P3C_PROPERTIES_HH_OLD
+#define DUMUX_3P3C_PROPERTIES_HH_OLD
-#include <dumux/implicit/box/properties.hh>
-#include <dumux/implicit/cellcentered/properties.hh>
-#include <dumux/porousmediumflow/nonisothermal/implicit/properties.hh>
+#warning this header is deprecated, use dumux/porousmediumflow/3p3c/implicit/properties.hh instead
-
-namespace Dumux
-{
-
-namespace Properties
-{
-//////////////////////////////////////////////////////////////////
-// Type tags
-//////////////////////////////////////////////////////////////////
-
-//! The type tags for the implicit three-phase three-component problems
-NEW_TYPE_TAG(ThreePThreeC);
-NEW_TYPE_TAG(BoxThreePThreeC, INHERITS_FROM(BoxModel, ThreePThreeC));
-NEW_TYPE_TAG(CCThreePThreeC, INHERITS_FROM(CCModel, ThreePThreeC));
-
-//! The type tags for the corresponding non-isothermal problems
-NEW_TYPE_TAG(ThreePThreeCNI, INHERITS_FROM(ThreePThreeC, NonIsothermal));
-NEW_TYPE_TAG(BoxThreePThreeCNI, INHERITS_FROM(BoxModel, ThreePThreeCNI));
-NEW_TYPE_TAG(CCThreePThreeCNI, INHERITS_FROM(CCModel, ThreePThreeCNI));
-
-//////////////////////////////////////////////////////////////////
-// Property tags
-//////////////////////////////////////////////////////////////////
-
-NEW_PROP_TAG(NumPhases); //!< Number of fluid phases in the system
-NEW_PROP_TAG(NumComponents); //!< Number of fluid components in the system
-NEW_PROP_TAG(Indices); //!< Enumerations for the model
-NEW_PROP_TAG(SpatialParams); //!< The type of the spatial parameters
-NEW_PROP_TAG(FluidSystem); //!< Type of the multi-component relations
-NEW_PROP_TAG(FluidState); //!< Type of the fluid state to be used
-
-NEW_PROP_TAG(MaterialLaw); //!< The material law which ought to be used (extracted from the spatial parameters)
-NEW_PROP_TAG(MaterialLawParams); //!< The parameters of the material law (extracted from the spatial parameters)
-NEW_PROP_TAG(EffectiveDiffusivityModel); //!< The employed model for the computation of the effective diffusivity
-
-NEW_PROP_TAG(ProblemEnableGravity); //!< Returns whether gravity is considered in the problem
-NEW_PROP_TAG(ImplicitMassUpwindWeight); //!< The value of the upwind parameter for the mobility
-NEW_PROP_TAG(ImplicitMobilityUpwindWeight); //!< Weight for the upwind mobility in the velocity calculation
-NEW_PROP_TAG(UseConstraintSolver); //!< Determines whether a constraint solver should be used explicitly
-NEW_PROP_TAG(BaseFluxVariables); //! The base flux variables
-NEW_PROP_TAG(SpatialParamsForchCoeff); //!< Property for the forchheimer coefficient
-NEW_PROP_TAG(VtkAddVelocity); //!< Returns whether velocity vectors are written into the vtk output
-}
-}
+#include <dumux/porousmediumflow/3p3c/implicit/properties.hh>
#endif
diff --git a/dumux/implicit/3p3c/3p3cpropertydefaults.hh b/dumux/implicit/3p3c/3p3cpropertydefaults.hh
index 187c15beed..26bfa705d8 100644
--- a/dumux/implicit/3p3c/3p3cpropertydefaults.hh
+++ b/dumux/implicit/3p3c/3p3cpropertydefaults.hh
@@ -1,211 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \ingroup Properties
- * \ingroup ImplicitProperties
- * \ingroup ThreePThreeCModel
- * \file
- *
- * \brief Defines default values for most properties required by the
- * three-phase three-component fully implicit model.
- */
-#ifndef DUMUX_3P3C_PROPERTY_DEFAULTS_HH
-#define DUMUX_3P3C_PROPERTY_DEFAULTS_HH
+#ifndef DUMUX_3P3C_PROPERTY_DEFAULTS_HH_OLD
+#define DUMUX_3P3C_PROPERTY_DEFAULTS_HH_OLD
-#include "3p3cindices.hh"
+#warning this header is deprecated, use dumux/porousmediumflow/3p3c/implicit/propertydefaults.hh instead
-#include "3p3cmodel.hh"
-#include "3p3cindices.hh"
-#include "3p3cfluxvariables.hh"
-#include "3p3cvolumevariables.hh"
-#include "3p3cproperties.hh"
-#include "3p3cnewtoncontroller.hh"
-#include "3p3clocalresidual.hh"
-
-#include <dumux/porousmediumflow/nonisothermal/implicit/propertydefaults.hh>
-#include <dumux/material/fluidmatrixinteractions/diffusivitymillingtonquirk.hh>
-#include <dumux/porousmediumflow/implicit/darcyfluxvariables.hh>
-#include <dumux/material/spatialparams/implicitspatialparams.hh>
-#include <dumux/material/fluidmatrixinteractions/3p/thermalconductivitysomerton3p.hh>
-
-namespace Dumux
-{
-
-namespace Properties {
-//////////////////////////////////////////////////////////////////
-// Property values
-//////////////////////////////////////////////////////////////////
-
-/*!
- * \brief Set the property for the number of components.
- *
- * We just forward the number from the fluid system and use an static
- * assert to make sure it is 3.
- */
-SET_PROP(ThreePThreeC, NumComponents)
-{
- private:
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
-
- public:
- static const int value = FluidSystem::numComponents;
-
- static_assert(value == 3,
- "Only fluid systems with 3 components are supported by the 3p3c model!");
-};
-
-/*!
- * \brief Set the property for the number of fluid phases.
- *
- * We just forward the number from the fluid system and use an static
- * assert to make sure it is 3.
- */
-SET_PROP(ThreePThreeC, NumPhases)
-{
- private:
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
-
- public:
- static const int value = FluidSystem::numPhases;
- static_assert(value == 3,
- "Only fluid systems with 3 phases are supported by the 3p3c model!");
-};
-
-/*!
- * \brief The fluid state which is used by the volume variables to
- * store the thermodynamic state. This should be chosen
- * appropriately for the model ((non-)isothermal, equilibrium, ...).
- * This can be done in the problem.
- */
-SET_PROP(ThreePThreeC, FluidState){
- private:
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
- public:
- typedef Dumux::CompositionalFluidState<Scalar, FluidSystem> type;
-};
-
-SET_INT_PROP(ThreePThreeC, NumEq, 3); //!< set the number of equations to 2
-
-/*!
- * \brief Set the property for the material parameters by extracting
- * it from the material law.
- */
-SET_TYPE_PROP(ThreePThreeC, MaterialLawParams, typename GET_PROP_TYPE(TypeTag, MaterialLaw)::Params);
-
-//! The local residual function of the conservation equations
-SET_TYPE_PROP(ThreePThreeC, LocalResidual, ThreePThreeCLocalResidual<TypeTag>);
-
-//! Use the 3p3c specific newton controller for the 3p3c model
-SET_TYPE_PROP(ThreePThreeC, NewtonController, ThreePThreeCNewtonController<TypeTag>);
-
-//! the Model property
-SET_TYPE_PROP(ThreePThreeC, Model, ThreePThreeCModel<TypeTag>);
-
-//! the VolumeVariables property
-SET_TYPE_PROP(ThreePThreeC, VolumeVariables, ThreePThreeCVolumeVariables<TypeTag>);
-
-//! the FluxVariables property
-SET_TYPE_PROP(ThreePThreeC, FluxVariables, ThreePThreeCFluxVariables<TypeTag>);
-
-//! define the base flux variables to realize Darcy flow
-SET_TYPE_PROP(ThreePThreeC, BaseFluxVariables, ImplicitDarcyFluxVariables<TypeTag>);
-
-//! the upwind factor for the mobility.
-SET_SCALAR_PROP(ThreePThreeC, ImplicitMassUpwindWeight, 1.0);
-
-//! set default mobility upwind weight to 1.0, i.e. fully upwind
-SET_SCALAR_PROP(ThreePThreeC, ImplicitMobilityUpwindWeight, 1.0);
-
-//! Determines whether a constraint solver should be used explicitly
-SET_BOOL_PROP(ThreePThreeC, UseConstraintSolver, false);
-
-//! The indices required by the isothermal 3p3c model
-SET_TYPE_PROP(ThreePThreeC, Indices, ThreePThreeCIndices<TypeTag, /*PVOffset=*/0>);
-
-//! The spatial parameters to be employed.
-//! Use ImplicitSpatialParams by default.
-SET_TYPE_PROP(ThreePThreeC, SpatialParams, ImplicitSpatialParams<TypeTag>);
-
-//! The model after Millington (1961) is used for the effective diffusivity
-SET_PROP(ThreePThreeC, EffectiveDiffusivityModel)
-{ private :
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- public:
- typedef DiffusivityMillingtonQuirk<Scalar> type;
-};
-
-// disable velocity output by default
-SET_BOOL_PROP(ThreePThreeC, VtkAddVelocity, false);
-
-// enable gravity by default
-SET_BOOL_PROP(ThreePThreeC, ProblemEnableGravity, true);
-
-//! default value for the forchheimer coefficient
-// Source: Ward, J.C. 1964 Turbulent flow in porous media. ASCE J. Hydraul. Div 90.
-// Actually the Forchheimer coefficient is also a function of the dimensions of the
-// porous medium. Taking it as a constant is only a first approximation
-// (Nield, Bejan, Convection in porous media, 2006, p. 10)
-SET_SCALAR_PROP(BoxModel, SpatialParamsForchCoeff, 0.55);
-
-//! Somerton is used as default model to compute the effective thermal heat conductivity
-SET_PROP(ThreePThreeCNI, ThermalConductivityModel)
-{
-private:
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
-public:
- typedef ThermalConductivitySomerton<Scalar, Indices> type;
-};
-
-//! temperature is already written by the isothermal model
-SET_BOOL_PROP(ThreePThreeCNI, NiOutputLevel, 0);
-
-//////////////////////////////////////////////////////////////////
-// Property values for isothermal model required for the general non-isothermal model
-//////////////////////////////////////////////////////////////////
-
-// set isothermal Model
-SET_TYPE_PROP(ThreePThreeCNI, IsothermalModel, ThreePThreeCModel<TypeTag>);
-
-// set isothermal FluxVariables
-SET_TYPE_PROP(ThreePThreeCNI, IsothermalFluxVariables, ThreePThreeCFluxVariables<TypeTag>);
-
-//set isothermal VolumeVariables
-SET_TYPE_PROP(ThreePThreeCNI, IsothermalVolumeVariables, ThreePThreeCVolumeVariables<TypeTag>);
-
-//set isothermal LocalResidual
-SET_TYPE_PROP(ThreePThreeCNI, IsothermalLocalResidual, ThreePThreeCLocalResidual<TypeTag>);
-
-//set isothermal Indices
-SET_PROP(ThreePThreeCNI, IsothermalIndices)
-{
-
-public:
- typedef ThreePThreeCIndices<TypeTag, /*PVOffset=*/0> type;
-};
-
-//set isothermal NumEq
-SET_INT_PROP(ThreePThreeCNI, IsothermalNumEq, 3);
-
-}
-
-}
+#include <dumux/porousmediumflow/3p3c/implicit/propertydefaults.hh>
#endif
diff --git a/dumux/implicit/3p3c/3p3cvolumevariables.hh b/dumux/implicit/3p3c/3p3cvolumevariables.hh
index 58a71d6ea8..f538b0b6cc 100644
--- a/dumux/implicit/3p3c/3p3cvolumevariables.hh
+++ b/dumux/implicit/3p3c/3p3cvolumevariables.hh
@@ -1,750 +1,8 @@
-// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
-// vi: set et ts=4 sw=4 sts=4:
-/*****************************************************************************
- * See the file COPYING for full copying permissions. *
- * *
- * This program is free software: you can redistribute it and/or modify *
- * it under the terms of the GNU General Public License as published by *
- * the Free Software Foundation, either version 2 of the License, or *
- * (at your option) any later version. *
- * *
- * This program is distributed in the hope that it will be useful, *
- * but WITHOUT ANY WARRANTY; without even the implied warranty of *
- * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
- * GNU General Public License for more details. *
- * *
- * You should have received a copy of the GNU General Public License *
- * along with this program. If not, see <http://www.gnu.org/licenses/>. *
- *****************************************************************************/
-/*!
- * \file
- *
- * \brief Contains the quantities which are constant within a
- * finite volume in the three-phase three-component model.
- */
-#ifndef DUMUX_3P3C_VOLUME_VARIABLES_HH
-#define DUMUX_3P3C_VOLUME_VARIABLES_HH
+#ifndef DUMUX_3P3C_VOLUME_VARIABLES_HH_OLD
+#define DUMUX_3P3C_VOLUME_VARIABLES_HH_OLD
-#include <dumux/implicit/model.hh>
-#include <dumux/material/constants.hh>
-#include <dumux/material/fluidstates/compositionalfluidstate.hh>
-#include <dumux/material/constraintsolvers/computefromreferencephase.hh>
-#include <dumux/material/constraintsolvers/misciblemultiphasecomposition.hh>
-#include "3p3cproperties.hh"
+#warning this header is deprecated, use dumux/porousmediumflow/3p3c/implicit/volumevariables.hh instead
-namespace Dumux
-{
-
-/*!
- * \ingroup ThreePThreeCModel
- * \ingroup ImplicitVolumeVariables
- * \brief Contains the quantities which are are constant within a
- * finite volume in the three-phase three-component model.
- */
-template <class TypeTag>
-class ThreePThreeCVolumeVariables : public ImplicitVolumeVariables<TypeTag>
-{
- typedef ImplicitVolumeVariables<TypeTag> ParentType;
- typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) Implementation;
-
- typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
- typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
- typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
- typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
- typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
- typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
- typedef typename GET_PROP_TYPE(TypeTag, MaterialLaw) MaterialLaw;
- typedef typename GET_PROP_TYPE(TypeTag, MaterialLawParams) MaterialLawParams;
-
- // constraint solvers
- typedef Dumux::MiscibleMultiPhaseComposition<Scalar, FluidSystem> MiscibleMultiPhaseComposition;
- typedef Dumux::ComputeFromReferencePhase<Scalar, FluidSystem> ComputeFromReferencePhase;
-
- typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
- enum {
- dim = GridView::dimension,
-
- numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
- numComponents = GET_PROP_VALUE(TypeTag, NumComponents),
-
- wCompIdx = Indices::wCompIdx,
- gCompIdx = Indices::gCompIdx,
- nCompIdx = Indices::nCompIdx,
-
- wPhaseIdx = Indices::wPhaseIdx,
- gPhaseIdx = Indices::gPhaseIdx,
- nPhaseIdx = Indices::nPhaseIdx,
-
- switch1Idx = Indices::switch1Idx,
- switch2Idx = Indices::switch2Idx,
- pressureIdx = Indices::pressureIdx
- };
-
- // present phases
- enum {
- threePhases = Indices::threePhases,
- wPhaseOnly = Indices::wPhaseOnly,
- gnPhaseOnly = Indices::gnPhaseOnly,
- wnPhaseOnly = Indices::wnPhaseOnly,
- gPhaseOnly = Indices::gPhaseOnly,
- wgPhaseOnly = Indices::wgPhaseOnly
- };
-
- typedef typename GridView::template Codim<0>::Entity Element;
-
- static const Scalar R; // universial gas constant
-
- enum { isBox = GET_PROP_VALUE(TypeTag, ImplicitIsBox) };
- enum { dofCodim = isBox ? dim : 0 };
-
-public:
-
- typedef typename GET_PROP_TYPE(TypeTag, FluidState) FluidState;
-
- /*!
- * \copydoc ImplicitVolumeVariables::update
- */
- void update(const PrimaryVariables &priVars,
- const Problem &problem,
- const Element &element,
- const FVElementGeometry &fvGeometry,
- const int scvIdx,
- bool isOldSol)
- {
- ParentType::update(priVars,
- problem,
- element,
- fvGeometry,
- scvIdx,
- isOldSol);
-
- bool useConstraintSolver = GET_PROP_VALUE(TypeTag, UseConstraintSolver);
-
- // capillary pressure parameters
- const MaterialLawParams &materialParams =
- problem.spatialParams().materialLawParams(element, fvGeometry, scvIdx);
-
- int dofIdxGlobal = problem.model().dofMapper().subIndex(element, scvIdx, dofCodim);
- int phasePresence = problem.model().phasePresence(dofIdxGlobal, isOldSol);
-
- Scalar temp = Implementation::temperature_(priVars, problem, element, fvGeometry, scvIdx);
- fluidState_.setTemperature(temp);
-
- /* first the saturations */
- if (phasePresence == threePhases)
- {
- sw_ = priVars[switch1Idx];
- sn_ = priVars[switch2Idx];
- sg_ = 1. - sw_ - sn_;
- }
- else if (phasePresence == wPhaseOnly)
- {
- sw_ = 1.;
- sn_ = 0.;
- sg_ = 0.;
- }
- else if (phasePresence == gnPhaseOnly)
- {
- sw_ = 0.;
- sn_ = priVars[switch2Idx];
- sg_ = 1. - sn_;
- }
- else if (phasePresence == wnPhaseOnly)
- {
- sn_ = priVars[switch2Idx];
- sw_ = 1. - sn_;
- sg_ = 0.;
- }
- else if (phasePresence == gPhaseOnly)
- {
- sw_ = 0.;
- sn_ = 0.;
- sg_ = 1.;
- }
- else if (phasePresence == wgPhaseOnly)
- {
- sw_ = priVars[switch1Idx];
- sn_ = 0.;
- sg_ = 1. - sw_;
- }
- else DUNE_THROW(Dune::InvalidStateException, "phasePresence: " << phasePresence << " is invalid.");
- Valgrind::CheckDefined(sg_);
-
- fluidState_.setSaturation(wPhaseIdx, sw_);
- fluidState_.setSaturation(gPhaseIdx, sg_);
- fluidState_.setSaturation(nPhaseIdx, sn_);
-
- /* now the pressures */
- pg_ = priVars[pressureIdx];
-
- // calculate capillary pressures
- Scalar pcgw = MaterialLaw::pcgw(materialParams, sw_);
- Scalar pcnw = MaterialLaw::pcnw(materialParams, sw_);
- Scalar pcgn = MaterialLaw::pcgn(materialParams, sw_ + sn_);
-
- Scalar pcAlpha = MaterialLaw::pcAlpha(materialParams, sn_);
- Scalar pcNW1 = 0.0; // TODO: this should be possible to assign in the problem file
-
- pn_ = pg_- pcAlpha * pcgn - (1.-pcAlpha)*(pcgw - pcNW1);
- pw_ = pn_ - pcAlpha * pcnw - (1.-pcAlpha)*pcNW1;
-
- fluidState_.setPressure(wPhaseIdx, pw_);
- fluidState_.setPressure(gPhaseIdx, pg_);
- fluidState_.setPressure(nPhaseIdx, pn_);
-
- // calculate and set all fugacity coefficients. this is
- // possible because we require all phases to be an ideal
- // mixture, i.e. fugacity coefficients are not supposed to
- // depend on composition!
- typename FluidSystem::ParameterCache paramCache;
- // assert(FluidSystem::isIdealGas(gPhaseIdx));
- for (int phaseIdx = 0; phaseIdx < numPhases; ++ phaseIdx) {
- assert(FluidSystem::isIdealMixture(phaseIdx));
-
- for (int compIdx = 0; compIdx < numComponents; ++ compIdx) {
- Scalar phi = FluidSystem::fugacityCoefficient(fluidState_, paramCache, phaseIdx, compIdx);
- fluidState_.setFugacityCoefficient(phaseIdx, compIdx, phi);
- }
- }
-
- // now comes the tricky part: calculate phase composition
- if (phasePresence == threePhases) {
- // all phases are present, phase compositions are a
- // result of the the gas <-> liquid equilibrium. This is
- // the job of the "MiscibleMultiPhaseComposition"
- // constraint solver ...
- if (useConstraintSolver) {
- MiscibleMultiPhaseComposition::solve(fluidState_,
- paramCache,
- /*setViscosity=*/true,
- /*setInternalEnergy=*/false);
- }
- // ... or calculated explicitly this way ...
- else {
- Scalar partPressH2O = FluidSystem::fugacityCoefficient(fluidState_,
- wPhaseIdx,
- wCompIdx) * pw_;
- Scalar partPressNAPL = FluidSystem::fugacityCoefficient(fluidState_,
- nPhaseIdx,
- nCompIdx) * pn_;
- Scalar partPressAir = pg_ - partPressH2O - partPressNAPL;
-
- Scalar xgn = partPressNAPL/pg_;
- Scalar xgw = partPressH2O/pg_;
- Scalar xgg = partPressAir/pg_;
-
- // actually, it's nothing else than Henry coefficient
- Scalar xwn = partPressNAPL
- / (FluidSystem::fugacityCoefficient(fluidState_,
- wPhaseIdx,nCompIdx)
- * pw_);
- Scalar xwg = partPressAir
- / (FluidSystem::fugacityCoefficient(fluidState_,
- wPhaseIdx,gCompIdx)
- * pw_);
- Scalar xww = 1.-xwg-xwn;
-
- Scalar xnn = 1.-2.e-10;
- Scalar xna = 1.e-10;
- Scalar xnw = 1.e-10;
-
- fluidState_.setMoleFraction(wPhaseIdx, wCompIdx, xww);
- fluidState_.setMoleFraction(wPhaseIdx, gCompIdx, xwg);
- fluidState_.setMoleFraction(wPhaseIdx, nCompIdx, xwn);
- fluidState_.setMoleFraction(gPhaseIdx, wCompIdx, xgw);
- fluidState_.setMoleFraction(gPhaseIdx, gCompIdx, xgg);
- fluidState_.setMoleFraction(gPhaseIdx, nCompIdx, xgn);
- fluidState_.setMoleFraction(nPhaseIdx, wCompIdx, xnw);
- fluidState_.setMoleFraction(nPhaseIdx, gCompIdx, xna);
- fluidState_.setMoleFraction(nPhaseIdx, nCompIdx, xnn);
-
- Scalar rhoW = FluidSystem::density(fluidState_, wPhaseIdx);
- Scalar rhoG = FluidSystem::density(fluidState_, gPhaseIdx);
- Scalar rhoN = FluidSystem::density(fluidState_, nPhaseIdx);
-
- fluidState_.setDensity(wPhaseIdx, rhoW);
- fluidState_.setDensity(gPhaseIdx, rhoG);
- fluidState_.setDensity(nPhaseIdx, rhoN);
- }
- }
- else if (phasePresence == wPhaseOnly) {
- // only the water phase is present, water phase composition is
- // stored explicitly.
-
- // extract mole fractions in the water phase
- Scalar xwg = priVars[switch1Idx];
- Scalar xwn = priVars[switch2Idx];
- Scalar xww = 1 - xwg - xwn;
-
- // write water mole fractions in the fluid state
- fluidState_.setMoleFraction(wPhaseIdx, wCompIdx, xww);
- fluidState_.setMoleFraction(wPhaseIdx, gCompIdx, xwg);
- fluidState_.setMoleFraction(wPhaseIdx, nCompIdx, xwn);
-
- // calculate the composition of the remaining phases (as
- // well as the densities of all phases). this is the job
- // of the "ComputeFromReferencePhase" constraint solver ...
- if (useConstraintSolver)
- {
- ComputeFromReferencePhase::solve(fluidState_,
- paramCache,
- wPhaseIdx,
- /*setViscosity=*/true,
- /*setInternalEnergy=*/false);
- }
- // ... or calculated explicitly this way ...
- else {
- // note that the gas phase is actually not existing!
- // thus, this is used as phase switch criterion
- Scalar xgg = xwg * FluidSystem::fugacityCoefficient(fluidState_,
- wPhaseIdx,gCompIdx)
- * pw_ / pg_;
- Scalar xgn = xwn * FluidSystem::fugacityCoefficient(fluidState_,
- wPhaseIdx,nCompIdx)
- * pw_ / pg_;
- Scalar xgw = FluidSystem::fugacityCoefficient(fluidState_,
- wPhaseIdx,wCompIdx)
- * pw_ / pg_;
-
-
- // note that the gas phase is actually not existing!
- // thus, this is used as phase switch criterion
- Scalar xnn = xwn * FluidSystem::fugacityCoefficient(fluidState_,
- wPhaseIdx,nCompIdx)
- * pw_;
- Scalar xna = 1.e-10;
- Scalar xnw = 1.e-10;
-
- fluidState_.setMoleFraction(gPhaseIdx, wCompIdx, xgw);
- fluidState_.setMoleFraction(gPhaseIdx, gCompIdx, xgg);
- fluidState_.setMoleFraction(gPhaseIdx, nCompIdx, xgn);
- fluidState_.setMoleFraction(nPhaseIdx, wCompIdx, xnw);
- fluidState_.setMoleFraction(nPhaseIdx, gCompIdx, xna);
- fluidState_.setMoleFraction(nPhaseIdx, nCompIdx, xnn);
-
- Scalar rhoW = FluidSystem::density(fluidState_, wPhaseIdx);
- Scalar rhoG = FluidSystem::density(fluidState_, gPhaseIdx);
- Scalar rhoN = FluidSystem::density(fluidState_, nPhaseIdx);
-
- fluidState_.setDensity(wPhaseIdx, rhoW);
- fluidState_.setDensity(gPhaseIdx, rhoG);
- fluidState_.setDensity(nPhaseIdx, rhoN);
- }
- }
- else if (phasePresence == gnPhaseOnly) {
- // only gas and NAPL phases are present
- // we have all (partly hypothetical) phase pressures
- // and temperature and the mole fraction of water in
- // the gas phase
-
- // we have all (partly hypothetical) phase pressures
- // and temperature and the mole fraction of water in
- // the gas phase
- Scalar partPressNAPL = fluidState_.fugacityCoefficient(nPhaseIdx, nCompIdx)*pn_;
-
- Scalar xgw = priVars[switch1Idx];
- Scalar xgn = partPressNAPL/pg_;
- Scalar xgg = 1.-xgw-xgn;
-
- // write mole fractions in the fluid state
- fluidState_.setMoleFraction(gPhaseIdx, wCompIdx, xgw);
- fluidState_.setMoleFraction(gPhaseIdx, gCompIdx, xgg);
- fluidState_.setMoleFraction(gPhaseIdx, nCompIdx, xgn);
-
- // calculate the composition of the remaining phases (as
- // well as the densities of all phases). this is the job
- // of the "ComputeFromReferencePhase" constraint solver
- ComputeFromReferencePhase::solve(fluidState_,
- paramCache,
- gPhaseIdx,
- /*setViscosity=*/true,
- /*setInternalEnergy=*/false);
- }
- else if (phasePresence == wnPhaseOnly) {
- // only water and NAPL phases are present
- Scalar pPartialC = fluidState_.fugacityCoefficient(nPhaseIdx,nCompIdx)*pn_;
- Scalar henryC = fluidState_.fugacityCoefficient(wPhaseIdx,nCompIdx)*pw_;
-
- Scalar xwg = priVars[switch1Idx];
- Scalar xwn = pPartialC/henryC;
- Scalar xww = 1.-xwg-xwn;
-
- // write mole fractions in the fluid state
- fluidState_.setMoleFraction(wPhaseIdx, wCompIdx, xww);
- fluidState_.setMoleFraction(wPhaseIdx, gCompIdx, xwg);
- fluidState_.setMoleFraction(wPhaseIdx, nCompIdx, xwn);
-
- // calculate the composition of the remaining phases (as
- // well as the densities of all phases). this is the job
- // of the "ComputeFromReferencePhase" constraint solver
- ComputeFromReferencePhase::solve(fluidState_,
- paramCache,
- wPhaseIdx,
- /*setViscosity=*/true,
- /*setInternalEnergy=*/false);
- }
- else if (phasePresence == gPhaseOnly) {
- // only the gas phase is present, gas phase composition is
- // stored explicitly here below.
-
- const Scalar xgw = priVars[switch1Idx];
- const Scalar xgn = priVars[switch2Idx];
- Scalar xgg = 1 - xgw - xgn;
-
- // write mole fractions in the fluid state
- fluidState_.setMoleFraction(gPhaseIdx, wCompIdx, xgw);
- fluidState_.setMoleFraction(gPhaseIdx, gCompIdx, xgg);
- fluidState_.setMoleFraction(gPhaseIdx, nCompIdx, xgn);
-
- // calculate the composition of the remaining phases (as
- // well as the densities of all phases). this is the job
- // of the "ComputeFromReferencePhase" constraint solver ...
- if (useConstraintSolver)
- {
- ComputeFromReferencePhase::solve(fluidState_,
- paramCache,
- gPhaseIdx,
- /*setViscosity=*/true,
- /*setInternalEnergy=*/false);
- }
- // ... or calculated explicitly this way ...
- else {
-
- // note that the water phase is actually not existing!
- // thus, this is used as phase switch criterion
- Scalar xww = xgw * pg_
- / (FluidSystem::fugacityCoefficient(fluidState_,
- wPhaseIdx,wCompIdx)
- * pw_);
- Scalar xwn = 1.e-10;
- Scalar xwg = 1.e-10;
-
- // note that the NAPL phase is actually not existing!
- // thus, this is used as phase switch criterion
- Scalar xnn = xgn * pg_
- / (FluidSystem::fugacityCoefficient(fluidState_,
- nPhaseIdx,nCompIdx)
- * pn_);
- Scalar xna = 1.e-10;
- Scalar xnw = 1.e-10;
-
- fluidState_.setMoleFraction(wPhaseIdx, wCompIdx, xww);
- fluidState_.setMoleFraction(wPhaseIdx, gCompIdx, xwg);
- fluidState_.setMoleFraction(wPhaseIdx, nCompIdx, xwn);
- fluidState_.setMoleFraction(nPhaseIdx, wCompIdx, xnw);
- fluidState_.setMoleFraction(nPhaseIdx, gCompIdx, xna);
- fluidState_.setMoleFraction(nPhaseIdx, nCompIdx, xnn);
-
- Scalar rhoW = FluidSystem::density(fluidState_, wPhaseIdx);
- Scalar rhoG = FluidSystem::density(fluidState_, gPhaseIdx);
- Scalar rhoN = FluidSystem::density(fluidState_, nPhaseIdx);
-
- fluidState_.setDensity(wPhaseIdx, rhoW);
- fluidState_.setDensity(gPhaseIdx, rhoG);
- fluidState_.setDensity(nPhaseIdx, rhoN);
- }
- }
- else if (phasePresence == wgPhaseOnly) {
- // only water and gas phases are present
- Scalar xgn = priVars[switch2Idx];
- Scalar partPressH2O = fluidState_.fugacityCoefficient(wPhaseIdx, wCompIdx)*pw_;
-
- Scalar xgw = partPressH2O/pg_;
- Scalar xgg = 1.-xgn-xgw;
-
- // write mole fractions in the fluid state
- fluidState_.setMoleFraction(gPhaseIdx, wCompIdx, xgw);
- fluidState_.setMoleFraction(gPhaseIdx, gCompIdx, xgg);
- fluidState_.setMoleFraction(gPhaseIdx, nCompIdx, xgn);
-
- // calculate the composition of the remaining phases (as
- // well as the densities of all phases). this is the job
- // of the "ComputeFromReferencePhase" constraint solver ...
- if (useConstraintSolver)
- {
- ComputeFromReferencePhase::solve(fluidState_,
- paramCache,
- gPhaseIdx,
- /*setViscosity=*/true,
- /*setInternalEnergy=*/false);
- }
- // ... or calculated explicitly this way ...
- else {
- // actually, it's nothing else than Henry coefficient
- Scalar xwn = xgn * pg_
- / (FluidSystem::fugacityCoefficient(fluidState_,
- wPhaseIdx,nCompIdx)
- * pw_);
- Scalar xwg = xgg * pg_
- / (FluidSystem::fugacityCoefficient(fluidState_,
- wPhaseIdx,gCompIdx)
- * pw_);
- Scalar xww = 1.-xwg-xwn;
-
- // note that the NAPL phase is actually not existing!
- // thus, this is used as phase switch criterion
- Scalar xnn = xgn * pg_
- / (FluidSystem::fugacityCoefficient(fluidState_,
- nPhaseIdx,nCompIdx)
- * pn_);
- Scalar xna = 1.e-10;
- Scalar xnw = 1.e-10;
-
- fluidState_.setMoleFraction(wPhaseIdx, wCompIdx, xww);
- fluidState_.setMoleFraction(wPhaseIdx, gCompIdx, xwg);
- fluidState_.setMoleFraction(wPhaseIdx, nCompIdx, xwn);
- fluidState_.setMoleFraction(nPhaseIdx, wCompIdx, xnw);
- fluidState_.setMoleFraction(nPhaseIdx, gCompIdx, xna);
- fluidState_.setMoleFraction(nPhaseIdx, nCompIdx, xnn);
-
- Scalar rhoW = FluidSystem::density(fluidState_, wPhaseIdx);
- Scalar rhoG = FluidSystem::density(fluidState_, gPhaseIdx);
- Scalar rhoN = FluidSystem::density(fluidState_, nPhaseIdx);
-
- fluidState_.setDensity(wPhaseIdx, rhoW);
- fluidState_.setDensity(gPhaseIdx, rhoG);
- fluidState_.setDensity(nPhaseIdx, rhoN);
- }
- }
- else
- assert(false); // unhandled phase state
-
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
- // Mobilities
- const Scalar mu =
- FluidSystem::viscosity(fluidState_,
- paramCache,
- phaseIdx);
- fluidState_.setViscosity(phaseIdx,mu);
-
- Scalar kr;
- kr = MaterialLaw::kr(materialParams, phaseIdx,
- fluidState_.saturation(wPhaseIdx),
- fluidState_.saturation(nPhaseIdx),
- fluidState_.saturation(gPhaseIdx));
- mobility_[phaseIdx] = kr / mu;
- Valgrind::CheckDefined(mobility_[phaseIdx]);
- }
-
- // material dependent parameters for NAPL adsorption
- bulkDensTimesAdsorpCoeff_ =
- MaterialLaw::bulkDensTimesAdsorpCoeff(materialParams);
-
- /* ATTENTION: The conversion to effective diffusion parameters
- * for the porous media happens at another place!
- */
-
- // diffusivity coefficents
- diffusionCoefficient_[gPhaseIdx][wCompIdx] =
- FluidSystem::diffusionCoefficient(fluidState_,
- paramCache,
- gPhaseIdx,
- wCompIdx);
- diffusionCoefficient_[gPhaseIdx][nCompIdx] =
- FluidSystem::diffusionCoefficient(fluidState_,
- paramCache,
- gPhaseIdx,
- nCompIdx);
- diffusionCoefficient_[gPhaseIdx][gCompIdx] = 0.0; // dummy, should not be used !
-
- diffusionCoefficient_[wPhaseIdx][gCompIdx] =
- FluidSystem::diffusionCoefficient(fluidState_,
- paramCache,
- wPhaseIdx,
- gCompIdx);
- diffusionCoefficient_[wPhaseIdx][nCompIdx] =
- FluidSystem::diffusionCoefficient(fluidState_,
- paramCache,
- wPhaseIdx,
- nCompIdx);
- diffusionCoefficient_[wPhaseIdx][wCompIdx] = 0.0; // dummy, should not be used !
-
- /* no diffusion in NAPL phase considered at the moment */
- diffusionCoefficient_[nPhaseIdx][nCompIdx] = 0.0;
- diffusionCoefficient_[nPhaseIdx][wCompIdx] = 0.0;
- diffusionCoefficient_[nPhaseIdx][gCompIdx] = 0.0;
-
- Valgrind::CheckDefined(diffusionCoefficient_);
-
- // porosity
- porosity_ = problem.spatialParams().porosity(element,
- fvGeometry,
- scvIdx);
- Valgrind::CheckDefined(porosity_);
-
- // energy related quantities not contained in the fluid state
- asImp_().updateEnergy_(priVars, problem, element, fvGeometry, scvIdx, isOldSol);
- // compute and set the enthalpy
- for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
- {
- Scalar h = Implementation::enthalpy_(fluidState_, paramCache, phaseIdx);
- fluidState_.setEnthalpy(phaseIdx, h);
- }
- }
-
- /*!
- * \brief Returns the phase state for the control volume.
- */
- const FluidState &fluidState() const
- { return fluidState_; }
-
- /*!
- * \brief Returns the effective saturation of a given phase within
- * the control volume.
- *
- * \param phaseIdx The phase index
- */
- Scalar saturation(const int phaseIdx) const
- { return fluidState_.saturation(phaseIdx); }
-
- /*!
- * \brief Returns the mass fraction of a given component in a
- * given phase within the control volume in \f$[-]\f$.
- *
- * \param phaseIdx The phase index
- * \param compIdx The component index
- */
- Scalar massFraction(const int phaseIdx, const int compIdx) const
- { return fluidState_.massFraction(phaseIdx, compIdx); }
-
- /*!
- * \brief Returns the mole fraction of a given component in a
- * given phase within the control volume in \f$[-]\f$.
- *
- * \param phaseIdx The phase index
- * \param compIdx The component index
- */
- Scalar moleFraction(const int phaseIdx, const int compIdx) const
- { return fluidState_.moleFraction(phaseIdx, compIdx); }
-
- /*!
- * \brief Returns the mass density of a given phase within the
- * control volume.
- *
- * \param phaseIdx The phase index
- */
- Scalar density(const int phaseIdx) const
- { return fluidState_.density(phaseIdx); }
-
- /*!
- * \brief Returns the molar density of a given phase within the
- * control volume.
- *
- * \param phaseIdx The phase index
- */
- Scalar molarDensity(const int phaseIdx) const
- { return fluidState_.density(phaseIdx) / fluidState_.averageMolarMass(phaseIdx); }
-
- /*!
- * \brief Returns the effective pressure of a given phase within
- * the control volume.
- *
- * \param phaseIdx The phase index
- */
- Scalar pressure(const int phaseIdx) const
- { return fluidState_.pressure(phaseIdx); }
-
- /*!
- * \brief Returns temperature inside the sub-control volume.
- *
- * Note that we assume thermodynamic equilibrium, i.e. the
- * temperatures of the rock matrix and of all fluid phases are
- * identical.
- */
- Scalar temperature() const
- { return fluidState_.temperature(/*phaseIdx=*/0); }
-
- /*!
- * \brief Returns the effective mobility of a given phase within
- * the control volume.
- *
- * \param phaseIdx The phase index
- */
- Scalar mobility(const int phaseIdx) const
- {
- return mobility_[phaseIdx];
- }
-
- /*!
- * \brief Returns the effective capillary pressure within the control volume.
- */
- Scalar capillaryPressure() const
- { return fluidState_.capillaryPressure(); }
-
- /*!
- * \brief Returns the average porosity within the control volume.
- */
- Scalar porosity() const
- { return porosity_; }
-
- /*!
- * \brief Returns the diffusivity coefficient matrix.
- */
- Dune::FieldMatrix<Scalar, numPhases, numComponents> diffusionCoefficient() const
- { return diffusionCoefficient_; }
-
- /*!
- * \brief Returns the adsorption information.
- */
- Scalar bulkDensTimesAdsorpCoeff() const
- { return bulkDensTimesAdsorpCoeff_; }
-
-
-protected:
-
- static Scalar temperature_(const PrimaryVariables &priVars,
- const Problem &problem,
- const Element &element,
- const FVElementGeometry &fvGeometry,
- const int scvIdx)
- {
- return problem.temperatureAtPos(fvGeometry.subContVol[scvIdx].global);
- }
-
- /*!
- * \brief Called by update() to compute the energy related quantities
- */
- void updateEnergy_(const PrimaryVariables &priVars,
- const Problem &problem,
- const Element &element,
- const FVElementGeometry &fvGeometry,
- const int scvIdx,
- bool isOldSol)
- { }
-
- template<class ParameterCache>
- static Scalar enthalpy_(const FluidState& fluidState,
- const ParameterCache& paramCache,
- const int phaseIdx)
- {
- return 0;
- }
-
- Scalar sw_, sg_, sn_, pg_, pw_, pn_;
-
- Scalar moleFrac_[numPhases][numComponents];
- Scalar massFrac_[numPhases][numComponents];
-
- Scalar porosity_; //!< Effective porosity within the control volume
- Scalar mobility_[numPhases]; //!< Effective mobility within the control volume
- Scalar bulkDensTimesAdsorpCoeff_; //!< the basis for calculating adsorbed NAPL
- /* We need a tensor here !! */
- //!< Binary diffusion coefficients of the 3 components in the phases
- Dune::FieldMatrix<Scalar, numPhases, numComponents> diffusionCoefficient_;
- FluidState fluidState_;
-
-private:
- Implementation &asImp_()
- { return *static_cast<Implementation*>(this); }
-
- const Implementation &asImp_() const
- { return *static_cast<const Implementation*>(this); }
-};
-
-template <class TypeTag>
-const typename ThreePThreeCVolumeVariables<TypeTag>::Scalar ThreePThreeCVolumeVariables<TypeTag>::R
- = Constants<typename GET_PROP_TYPE(TypeTag, Scalar)>::R;
-
-} // end namespace
+#include <dumux/porousmediumflow/3p3c/implicit/volumevariables.hh>
#endif
diff --git a/dumux/implicit/co2/co2model.hh b/dumux/implicit/co2/co2model.hh
index c84592435f..f4e5867e04 100644
--- a/dumux/implicit/co2/co2model.hh
+++ b/dumux/implicit/co2/co2model.hh
@@ -24,7 +24,7 @@
#ifndef DUMUX_CO2_MODEL_HH
#define DUMUX_CO2_MODEL_HH
-#include <dumux/implicit/2p2c/2p2cmodel.hh>
+#include <dumux/porousmediumflow/2p2c/implicit/model.hh>
namespace Dumux
{
diff --git a/dumux/implicit/co2/co2volumevariables.hh b/dumux/implicit/co2/co2volumevariables.hh
index 5836b604d7..d54cd52f3c 100644
--- a/dumux/implicit/co2/co2volumevariables.hh
+++ b/dumux/implicit/co2/co2volumevariables.hh
@@ -25,7 +25,7 @@
#ifndef DUMUX_CO2_VOLUME_VARIABLES_HH
#define DUMUX_CO2_VOLUME_VARIABLES_HH
-#include <dumux/implicit/2p2c/2p2cvolumevariables.hh>
+#include <dumux/porousmediumflow/2p2c/implicit/volumevariables.hh>
namespace Dumux
{
diff --git a/dumux/multidomain/2cnistokes2p2cni/2p2cnicouplinglocalresidual.hh b/dumux/multidomain/2cnistokes2p2cni/2p2cnicouplinglocalresidual.hh
index b701597f45..b8b1df939f 100644
--- a/dumux/multidomain/2cnistokes2p2cni/2p2cnicouplinglocalresidual.hh
+++ b/dumux/multidomain/2cnistokes2p2cni/2p2cnicouplinglocalresidual.hh
@@ -27,7 +27,7 @@
#include <dune/common/deprecated.hh>
#include <dumux/porousmediumflow/nonisothermal/implicit/localresidual.hh>
-#include <dumux/implicit/2p2c/2p2cproperties.hh>
+#include <dumux/porousmediumflow/2p2c/implicit/properties.hh>
namespace Dumux
{
diff --git a/dumux/multidomain/2cstokes2p2c/2cstokes2p2clocaloperator.hh b/dumux/multidomain/2cstokes2p2c/2cstokes2p2clocaloperator.hh
index 853916be13..e07fc31950 100644
--- a/dumux/multidomain/2cstokes2p2c/2cstokes2p2clocaloperator.hh
+++ b/dumux/multidomain/2cstokes2p2c/2cstokes2p2clocaloperator.hh
@@ -37,7 +37,7 @@
#include <dumux/freeflow/boundarylayermodel.hh>
#include <dumux/freeflow/masstransfermodel.hh>
#include <dumux/freeflow/stokesnc/stokesncmodel.hh>
-#include <dumux/implicit/2p2c/2p2cmodel.hh>
+#include <dumux/porousmediumflow/2p2c/implicit/model.hh>
namespace Dumux {
diff --git a/dumux/multidomain/2cstokes2p2c/2p2ccouplinglocalresidual.hh b/dumux/multidomain/2cstokes2p2c/2p2ccouplinglocalresidual.hh
index 4cf3b7688a..69f154653a 100644
--- a/dumux/multidomain/2cstokes2p2c/2p2ccouplinglocalresidual.hh
+++ b/dumux/multidomain/2cstokes2p2c/2p2ccouplinglocalresidual.hh
@@ -26,8 +26,8 @@
#include <dune/common/deprecated.hh>
-#include <dumux/implicit/2p2c/2p2clocalresidual.hh>
-#include <dumux/implicit/2p2c/2p2cproperties.hh>
+#include <dumux/porousmediumflow/2p2c/implicit/localresidual.hh>
+#include <dumux/porousmediumflow/2p2c/implicit/properties.hh>
namespace Dumux
{
diff --git a/dumux/porousmediumflow/1p2c/implicit/fluxvariables.hh b/dumux/porousmediumflow/1p2c/implicit/fluxvariables.hh
new file mode 100644
index 0000000000..bddb873565
--- /dev/null
+++ b/dumux/porousmediumflow/1p2c/implicit/fluxvariables.hh
@@ -0,0 +1,525 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ * \brief This file contains the data which is required to calculate
+ * all fluxes of fluid phases over a face of a finite volume.
+ *
+ * This means pressure and mole-fraction gradients, phase densities at
+ * the integration point, etc.
+ *
+ */
+#ifndef DUMUX_1P2C_FLUX_VARIABLES_HH
+#define DUMUX_1P2C_FLUX_VARIABLES_HH
+
+#include "properties.hh"
+
+#include <dumux/common/math.hh>
+#include <dumux/common/valgrind.hh>
+
+namespace Dumux
+{
+
+/*!
+ * \ingroup OnePTwoCModel
+ * \ingroup ImplicitFluxVariables
+ * \brief This template class contains the data which is required to
+ * calculate the fluxes of the fluid phases over a face of a
+ * finite volume for the one-phase, two-component model.
+ *
+ * This means pressure and mole-fraction gradients, phase densities at
+ * the intergration point, etc.
+ */
+template <class TypeTag>
+class OnePTwoCFluxVariables
+{
+ typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
+ typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, SpatialParams) SpatialParams;
+ typedef typename GET_PROP_TYPE(TypeTag, EffectiveDiffusivityModel) EffectiveDiffusivityModel;
+
+ typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
+ enum {
+ transportCompIdx = Indices::transportCompIdx
+ };
+
+ typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
+ typedef typename GridView::template Codim<0>::Entity Element;
+ enum {
+ dim = GridView::dimension,
+ dimWorld = GridView::dimensionworld
+ };
+
+ typedef typename GridView::ctype CoordScalar;
+ typedef Dune::FieldVector<CoordScalar, dimWorld> GlobalPosition;
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef Dune::FieldVector<Scalar, dim> DimVector;
+ typedef Dune::FieldMatrix<Scalar, dim, dim> DimMatrix;
+ typedef Dune::FieldMatrix<Scalar, dimWorld, dimWorld> DimWorldMatrix;
+
+ typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
+ typedef typename FVElementGeometry::SubControlVolumeFace SCVFace;
+
+public:
+ /*
+ * \brief The constructor
+ *
+ * \param problem The problem
+ * \param element The finite element
+ * \param fvGeometry The finite-volume geometry in the fully implicit scheme
+ * \param scvfIdx The local index of the SCV (sub-control-volume) face
+ * \param elemVolVars The volume variables of the current element
+ * \param onBoundary A boolean variable to specify whether the flux variables
+ * are calculated for interior SCV faces or boundary faces, default=false
+ */
+ OnePTwoCFluxVariables(const Problem &problem,
+ const Element &element,
+ const FVElementGeometry &fvGeometry,
+ const int fIdx,
+ const ElementVolumeVariables &elemVolVars,
+ const bool onBoundary = false)
+ : fvGeometry_(fvGeometry), faceIdx_(fIdx), onBoundary_(onBoundary)
+ {
+ mobilityUpwindWeight_ = GET_PARAM_FROM_GROUP(TypeTag, Scalar, Implicit, MobilityUpwindWeight);
+
+ viscosity_ = Scalar(0);
+ molarDensity_ = Scalar(0);
+ density_ = Scalar(0);
+ potentialGrad_ = Scalar(0);
+ moleFractionGrad_ = Scalar(0);
+
+ calculateGradients_(problem, element, elemVolVars);
+ calculateK_(problem, element, elemVolVars);
+ calculateVelocities_(problem, element, elemVolVars);
+ calculatePorousDiffCoeff_(problem, element, elemVolVars);
+ calculateDispersionTensor_(problem, element, elemVolVars);
+ };
+
+public:
+ /*!
+ * \brief Return the pressure potential multiplied with the
+ * intrinsic permeability and the face normal which
+ * goes from vertex i to vertex j.
+ *
+ * Note that the length of the face's normal is the area of the
+ * phase, so this is not the actual velocity but the integral of
+ * the velocity over the face's area. Also note that the phase
+ * mobility is not yet included here since this would require a
+ * decision on the upwinding approach (which is done in the
+ * actual model).
+ */
+ Scalar KmvpNormal() const
+ { return KmvpNormal_; }
+
+ /*!
+ * \brief Return the pressure potential multiplied with the
+ * intrinsic permeability as vector (for velocity output).
+ */
+ GlobalPosition Kmvp() const
+ { return Kmvp_; }
+
+ /*!
+ * \brief The face of the current sub-control volume. This may be either
+ * an inner sub-control-volume face or a SCV face on the boundary.
+ */
+ const SCVFace &face() const
+ {
+ if (onBoundary_)
+ return fvGeometry_.boundaryFace[faceIdx_];
+ else
+ return fvGeometry_.subContVolFace[faceIdx_];
+ }
+
+ /*!
+ * \brief Return the intrinsic permeability tensor \f$\mathrm{[m^2]}\f$.
+ */
+ const DimWorldMatrix &intrinsicPermeability() const
+ { return K_; }
+
+ /*!
+ * \brief Return the dispersion tensor \f$\mathrm{[m^2/s]}\f$.
+ */
+ const DimWorldMatrix &dispersionTensor() const
+ { return dispersionTensor_; }
+
+ /*!
+ * \brief Return the pressure potential gradient \f$\mathrm{[Pa/m]}\f$.
+ */
+ const GlobalPosition &potentialGrad() const
+ { return potentialGrad_; }
+
+
+ /*!
+ * \brief Return the mole-fraction gradient of a component in a phase \f$\mathrm{[mol/mol/m)]}\f$.
+ *
+ * \param compIdx The index of the considered component
+ */
+ const GlobalPosition &moleFractionGrad(int compIdx) const
+ {
+ if (compIdx != 1)
+ { DUNE_THROW(Dune::InvalidStateException,
+ "The 1p2c model is supposed to need "
+ "only the concentration gradient of "
+ "the second component!"); }
+ return moleFractionGrad_;
+ };
+
+ /*!
+ * \brief The binary diffusion coefficient for each fluid phase in the porous medium \f$\mathrm{[m^2/s]}\f$.
+ */
+ Scalar porousDiffCoeff() const
+ {
+ // TODO: tensorial porousDiffCoeff_usion coefficients
+ return porousDiffCoeff_;
+ };
+
+ /*!
+ * \brief Return viscosity \f$\mathrm{[Pa s]}\f$ of a phase at the integration
+ * point.
+ */
+ Scalar viscosity() const
+ { return viscosity_;}
+
+ /*!
+ * \brief Return molar density \f$\mathrm{[mol/m^3]}\f$ of a phase at the integration
+ * point.
+ */
+ Scalar molarDensity() const
+ { return molarDensity_; }
+
+ /*!
+ * \brief Return density \f$\mathrm{[kg/m^3]}\f$ of a phase at the integration
+ * point.
+ */
+ Scalar density() const
+ { return density_; }
+
+ /*!
+ * \brief Given the intrinsic permeability times the pressure
+ * potential gradient and SCV face normal for a phase,
+ * return the local index of the upstream control volume
+ * for a given phase.
+ *
+ * \param normalFlux The flux over a face of the sub-control volume
+ */
+ int upstreamIdx(Scalar normalFlux) const
+ { return (normalFlux >= 0)?face().i:face().j; }
+
+ /*!
+ * \brief Given the intrinsic permeability times the pressure
+ * potential gradient and SCV face normal for a phase,
+ * return the local index of the downstream control volume
+ * for a given phase.
+ *
+ * \param normalFlux The flux over a face of the sub-control volume
+ */
+ int downstreamIdx(Scalar normalFlux) const
+ { return (normalFlux > 0)?face().j:face().i; }
+
+ /*!
+ * \brief Return the local index of the upstream control volume
+ * for a given phase.
+ */
+ int upstreamIdx() const
+ { return upstreamIdx_; }
+
+ /*!
+ * \brief Return the local index of the downstream control volume
+ * for a given phase.
+ */
+ int downstreamIdx() const
+ { return downstreamIdx_; }
+
+ /*!
+ * \brief Return the local index of the upstream control volume
+ * for a given phase.
+ */
+ int upstreamIdx(int phaseIdx) const
+ { return upstreamIdx_; }
+
+ /*!
+ * \brief Return the local index of the downstream control volume
+ * for a given phase.
+ */
+ int downstreamIdx(int phaseIdx) const
+ { return downstreamIdx_; }
+
+ /*!
+ * \brief Return the volumetric flux over a face of a given phase.
+ *
+ * This is the calculated velocity multiplied by the unit normal
+ * and the area of the face.
+ * face().normal
+ * has already the magnitude of the area.
+ *
+ * \param phaseIdx index of the phase
+ */
+ Scalar volumeFlux(const unsigned int phaseIdx) const
+ {
+ assert (phaseIdx == Indices::phaseIdx);
+ return volumeFlux_;
+ }
+
+protected:
+
+ /*!
+ * \brief Calculation of the pressure and mole-/mass-fraction gradients.
+ *
+ * \param problem The considered problem file
+ * \param element The considered element of the grid
+ * \param elemVolVars The parameters stored in the considered element
+ */
+ void calculateGradients_(const Problem &problem,
+ const Element &element,
+ const ElementVolumeVariables &elemVolVars)
+ {
+ // loop over flux approximation points
+ for (unsigned int idx = 0; idx < face().numFap; idx++)
+ {
+ // FE gradient at vertex idx
+ const GlobalPosition &feGrad = face().grad[idx];
+
+ // index for the element volume variables
+ int volVarsIdx = face().fapIndices[idx];
+
+ // the pressure gradient
+ GlobalPosition tmp = feGrad;
+ tmp *= elemVolVars[volVarsIdx].pressure();
+ potentialGrad_ += tmp;
+
+ // the mole-fraction gradient
+ tmp = feGrad;
+ tmp *= elemVolVars[volVarsIdx].moleFraction(transportCompIdx);
+ moleFractionGrad_ += tmp;
+
+ // phase viscosity
+ viscosity_ += elemVolVars[volVarsIdx].viscosity()*face().shapeValue[idx];
+
+ //phase molar density
+ molarDensity_ += elemVolVars[volVarsIdx].molarDensity()*face().shapeValue[idx];
+
+ //phase density
+ density_ += elemVolVars[volVarsIdx].density()*face().shapeValue[idx];
+ }
+
+
+ ///////////////
+ // correct the pressure gradients by the gravitational acceleration
+ ///////////////
+ if (GET_PARAM_FROM_GROUP(TypeTag, bool, Problem, EnableGravity)) {
+ // calculate the phase density at the integration point. we
+ // only do this if the wetting phase is present in both cells
+ Scalar rhoI = elemVolVars[face().i].density();
+ Scalar rhoJ = elemVolVars[face().j].density();
+ Scalar density = (rhoI + rhoJ)/2;
+
+ // ask for the gravitational acceleration at the given SCV face
+ GlobalPosition g(problem.gravityAtPos(face().ipGlobal));
+
+ // make it a force
+ g *= density;
+
+ // calculate the final potential gradient
+ potentialGrad_ -= g;
+ }
+ }
+
+ /*!
+ * \brief Calculation of the harmonic mean of the intrinsic permeability
+ * uses the meanK function in the boxspatialparameters.hh file in the folder
+ * material/spatialparameters
+ *
+ * \param problem The considered problem file
+ * \param element The considered element of the grid
+ * \param elemVolVars The parameters stored in the considered element
+ */
+ void calculateK_(const Problem &problem,
+ const Element &element,
+ const ElementVolumeVariables &elemVolVars)
+ {
+ const SpatialParams &sp = problem.spatialParams();
+ if (GET_PROP_VALUE(TypeTag, ImplicitIsBox))
+ {
+ sp.meanK(K_,
+ sp.intrinsicPermeability(element,
+ fvGeometry_,
+ face().i),
+ sp.intrinsicPermeability(element,
+ fvGeometry_,
+ face().j));
+ }
+ else
+ {
+ const Element& elementI = fvGeometry_.neighbors[face().i];
+ FVElementGeometry fvGeometryI;
+ fvGeometryI.subContVol[0].global = elementI.geometry().center();
+
+ const Element& elementJ = fvGeometry_.neighbors[face().j];
+ FVElementGeometry fvGeometryJ;
+ fvGeometryJ.subContVol[0].global = elementJ.geometry().center();
+
+ sp.meanK(K_,
+ sp.intrinsicPermeability(elementI, fvGeometryI, 0),
+ sp.intrinsicPermeability(elementJ, fvGeometryJ, 0));
+ }
+ }
+
+ /*!
+ * \brief Calculation of the velocity normal to face using Darcy's law.
+ * Tensorial permeability is multiplied with the potential gradient and the face normal.
+ * Identify upstream node of face.
+ *
+ * \param problem The considered problem file
+ * \param element The considered element of the grid
+ * \param elemVolVars The parameters stored in the considered element
+ */
+ void calculateVelocities_(const Problem &problem,
+ const Element &element,
+ const ElementVolumeVariables &elemVolVars)
+ {
+ K_.mv(potentialGrad_, Kmvp_);
+ KmvpNormal_ = -(Kmvp_*face().normal);
+
+ // set the upstream and downstream vertices
+ upstreamIdx_ = face().i;
+ downstreamIdx_ = face().j;
+
+ if (KmvpNormal_ < 0)
+ {
+ std::swap(upstreamIdx_,
+ downstreamIdx_);
+ }
+
+ volumeFlux_ = KmvpNormal_;
+ volumeFlux_ *= mobilityUpwindWeight_/elemVolVars[upstreamIdx_].viscosity()
+ + (1.0 - mobilityUpwindWeight_)/elemVolVars[downstreamIdx_].viscosity();
+ }
+ /*!
+ * \brief Calculation of the effective diffusion coefficient.
+ *
+ * \param problem The considered problem file
+ * \param element The considered element of the grid
+ * \param elemVolVars The parameters stored in the considered element
+ */
+ void calculatePorousDiffCoeff_(const Problem &problem,
+ const Element &element,
+ const ElementVolumeVariables &elemVolVars)
+ {
+ const VolumeVariables &volVarsI = elemVolVars[face().i];
+ const VolumeVariables &volVarsJ = elemVolVars[face().j];
+
+ const Scalar diffCoeffI = EffectiveDiffusivityModel::effectiveDiffusivity(volVarsI.porosity(),
+ /*sat=*/1.0,
+ volVarsI.diffCoeff());
+
+ const Scalar diffCoeffJ = EffectiveDiffusivityModel::effectiveDiffusivity(volVarsJ.porosity(),
+ /*sat=*/1.0,
+ volVarsJ.diffCoeff());
+
+ // -> harmonic mean
+ porousDiffCoeff_ = harmonicMean(diffCoeffI, diffCoeffJ);
+ }
+
+ /*!
+ * \brief Calculation of the dispersion.
+ *
+ * \param problem The considered problem file
+ * \param element The considered element of the grid
+ * \param elemVolVars The parameters stored in the considered element
+ */
+ void calculateDispersionTensor_(const Problem &problem,
+ const Element &element,
+ const ElementVolumeVariables &elemVolVars)
+ {
+ const VolumeVariables &volVarsI = elemVolVars[face().i];
+ const VolumeVariables &volVarsJ = elemVolVars[face().j];
+
+ //calculate dispersivity at the interface: [0]: alphaL = longitudinal disp. [m], [1] alphaT = transverse disp. [m]
+ Scalar dispersivity[2];
+ dispersivity[0] = 0.5 * (volVarsI.dispersivity()[0] + volVarsJ.dispersivity()[0]);
+ dispersivity[1] = 0.5 * (volVarsI.dispersivity()[1] + volVarsJ.dispersivity()[1]);
+
+ //calculate velocity at interface: v = -1/mu * vDarcy = -1/mu * K * grad(p)
+ GlobalPosition velocity;
+ Valgrind::CheckDefined(potentialGrad());
+ Valgrind::CheckDefined(K_);
+ K_.mv(potentialGrad(), velocity);
+ velocity /= - 0.5 * (volVarsI.viscosity() + volVarsJ.viscosity());
+
+ //matrix multiplication of the velocity at the interface: vv^T
+ dispersionTensor_ = 0;
+ for (int i=0; i<dim; i++)
+ for (int j = 0; j<dim; j++)
+ dispersionTensor_[i][j] = velocity[i]*velocity[j];
+
+ //normalize velocity product --> vv^T/||v||, [m/s]
+ Scalar vNorm = velocity.two_norm();
+
+ dispersionTensor_ /= vNorm;
+ if (vNorm < 1e-20)
+ dispersionTensor_ = 0;
+
+ //multiply with dispersivity difference: vv^T/||v||*(alphaL - alphaT), [m^2/s] --> alphaL = longitudinal disp., alphaT = transverse disp.
+ dispersionTensor_ *= (dispersivity[0] - dispersivity[1]);
+
+ //add ||v||*alphaT to the main diagonal:vv^T/||v||*(alphaL - alphaT) + ||v||*alphaT, [m^2/s]
+ for (int i = 0; i<dim; i++)
+ dispersionTensor_[i][i] += vNorm*dispersivity[1];
+ }
+
+ const FVElementGeometry &fvGeometry_;
+ const int faceIdx_;
+ const bool onBoundary_;
+
+ //! pressure potential gradient
+ GlobalPosition potentialGrad_;
+ //! mole-fraction gradient
+ GlobalPosition moleFractionGrad_;
+ //! the effective diffusion coefficent in the porous medium
+ Scalar porousDiffCoeff_;
+
+ //! the dispersion tensor in the porous medium
+ DimWorldMatrix dispersionTensor_;
+
+ //! the intrinsic permeability tensor
+ DimWorldMatrix K_;
+ // intrinsic permeability times pressure potential gradient
+ GlobalPosition Kmvp_;
+ // projected on the face normal
+ Scalar KmvpNormal_;
+
+ // local index of the upwind vertex for each phase
+ int upstreamIdx_;
+ // local index of the downwind vertex for each phase
+ int downstreamIdx_;
+
+ //! viscosity of the fluid at the integration point
+ Scalar viscosity_;
+
+ //! molar densities of the fluid at the integration point
+ Scalar molarDensity_, density_;
+
+ Scalar volumeFlux_; //!< Velocity multiplied with normal (magnitude=area)
+ Scalar mobilityUpwindWeight_; //!< Upwind weight for mobility. Set to one for full upstream weighting
+};
+
+} // end namespace
+
+#endif
diff --git a/dumux/porousmediumflow/1p2c/implicit/indices.hh b/dumux/porousmediumflow/1p2c/implicit/indices.hh
new file mode 100644
index 0000000000..274b58b30f
--- /dev/null
+++ b/dumux/porousmediumflow/1p2c/implicit/indices.hh
@@ -0,0 +1,63 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ * \brief Defines the primary variable and equation indices used by
+ * the 1p2c model
+ */
+
+#ifndef DUMUX_1P2C_INDICES_HH
+#define DUMUX_1P2C_INDICES_HH
+
+#include "properties.hh"
+
+namespace Dumux
+{
+// \{
+
+/*!
+ * \ingroup OnePTwoCModel
+ * \ingroup ImplicitIndices
+ * \brief The indices for the isothermal single-phase, two-component model.
+ */
+template <class TypeTag, int PVOffset = 0>
+struct OnePTwoCIndices
+{
+
+ //! Set the default phase used by the fluid system to the first one
+ static const int phaseIdx = GET_PROP_VALUE(TypeTag, PhaseIdx);
+
+ //! Component indices
+ static const int phaseCompIdx = phaseIdx;//!< The index of the main component of the considered phase
+ //! The index of the transported (minor) component; ASSUMES phase indices of 0 and 1
+ static const int transportCompIdx = (unsigned int)(1-phaseIdx);
+
+ // Equation indices
+ static const int conti0EqIdx = PVOffset + 0; //!< continuity equation index
+ static const int transportEqIdx = PVOffset + 1; //!< transport equation index
+
+ // primary variable indices
+ static const int pressureIdx = PVOffset + 0; //!< pressure
+ static const int massOrMoleFracIdx = PVOffset + 1; //!< mole fraction of the second component
+};
+
+// \}
+}
+
+#endif
diff --git a/dumux/porousmediumflow/1p2c/implicit/localresidual.hh b/dumux/porousmediumflow/1p2c/implicit/localresidual.hh
new file mode 100644
index 0000000000..e6640cd2f5
--- /dev/null
+++ b/dumux/porousmediumflow/1p2c/implicit/localresidual.hh
@@ -0,0 +1,265 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ *
+ * \brief Element-wise calculation the local Jacobian for the single-phase,
+ * two-component model in the fully implicit scheme.
+ */
+
+#ifndef DUMUX_ONEP_TWOC_LOCAL_RESIDUAL_HH
+#define DUMUX_ONEP_TWOC_LOCAL_RESIDUAL_HH
+
+#include "properties.hh"
+
+namespace Dumux
+{
+/*!
+ *
+ * \ingroup OnePTwoCModel
+ * \ingroup ImplicitLocalResidual
+ * \brief Calculate the local Jacobian for the single-phase,
+ * two-component model in the fully implicit scheme.
+ *
+ * This class is used to fill the gaps in BoxLocalResidual for the 1p2c flow and transport.
+ */
+template<class TypeTag>
+class OnePTwoCLocalResidual : public GET_PROP_TYPE(TypeTag, BaseLocalResidual)
+{
+protected:
+ typedef typename GET_PROP_TYPE(TypeTag, LocalResidual) Implementation;
+
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
+
+ enum { dim = GridView::dimension };
+ enum { dimWorld = GridView::dimensionworld };
+ typedef Dune::FieldVector<Scalar, dim> DimVector;
+ typedef Dune::FieldVector<Scalar, dimWorld> GlobalPosition;
+
+ typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, FluxVariables) FluxVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+ typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
+
+ enum {
+ //phase index
+ phaseIdx = Indices::phaseIdx,
+ transportCompIdx = Indices::transportCompIdx
+ };
+ // indices of the equations
+ enum {
+ conti0EqIdx = Indices::conti0EqIdx,
+ transportEqIdx = Indices::transportEqIdx
+ };
+
+ //! property that defines whether mole or mass fractions are used
+ static const bool useMoles = GET_PROP_VALUE(TypeTag, UseMoles);
+
+
+
+public:
+ /*!
+ * \brief Constructor. Sets the upwind weight.
+ */
+ OnePTwoCLocalResidual()
+ {
+ // retrieve the upwind weight for the mass conservation equations. Use the value
+ // specified via the property system as default, and overwrite
+ // it by the run-time parameter from the Dune::ParameterTree
+ upwindWeight_ = GET_PARAM_FROM_GROUP(TypeTag, Scalar, Implicit, MassUpwindWeight);
+ };
+
+ /*!
+ * \brief Evaluate the amount of all conservation quantities
+ * (e.g. phase mass) within a finite volume.
+ *
+ * \param storage The mass of the component within the sub-control volume
+ * \param scvIdx The index of the considered face of the sub-control volume
+ * \param usePrevSol Evaluate function with solution of current or previous time step
+ */
+ void computeStorage(PrimaryVariables &storage, const int scvIdx, const bool usePrevSol) const
+ {
+ // if flag usePrevSol is set, the solution from the previous
+ // time step is used, otherwise the current solution is
+ // used. The secondary variables are used accordingly. This
+ // is required to compute the derivative of the storage term
+ // using the implicit euler method.
+ const ElementVolumeVariables &elemVolVars = usePrevSol ? this->prevVolVars_() : this->curVolVars_();
+ const VolumeVariables &volVars = elemVolVars[scvIdx];
+
+ storage = 0;
+ if(useMoles) // mole-fraction formulation
+ {
+ // storage term of continuity equation- molefractions
+ //careful: molarDensity changes with moleFrac!
+ storage[conti0EqIdx] += volVars.molarDensity()*volVars.porosity();
+ // storage term of the transport equation - molefractions
+ storage[transportEqIdx] +=
+ volVars.molarDensity()*volVars.moleFraction(transportCompIdx) *
+ volVars.porosity();
+ }
+ else // mass-fraction formulation
+ {
+ // storage term of continuity equation - massfractions
+ storage[conti0EqIdx] +=
+ volVars.density()*volVars.porosity();
+ //storage term of the transport equation - massfractions
+ storage[transportEqIdx] +=
+ volVars.density() * volVars.massFraction(transportCompIdx) * volVars.porosity();
+ }
+ }
+
+ /*!
+ * \brief Evaluate the mass flux over a face of a sub-control
+ * volume.
+ *
+ * \param flux The flux over the SCV (sub-control-volume) face for each component
+ * \param fIdx The index of the considered face of the sub control volume
+ * \param onBoundary A boolean variable to specify whether the flux variables
+ * are calculated for interior SCV faces or boundary faces, default=false
+ */
+ void computeFlux(PrimaryVariables &flux, const int fIdx, const bool onBoundary=false) const
+ {
+ flux = 0;
+ FluxVariables fluxVars(this->problem_(),
+ this->element_(),
+ this->fvGeometry_(),
+ fIdx,
+ this->curVolVars_(),
+ onBoundary);
+
+ asImp_()->computeAdvectiveFlux(flux, fluxVars);
+ asImp_()->computeDiffusiveFlux(flux, fluxVars);
+ }
+
+ /*!
+ * \brief Evaluate the advective mass flux of all components over
+ * a face of a sub-control volume.
+ *
+ * \param flux The advective flux over the sub-control-volume face for each component
+ * \param fluxVars The flux variables at the current SCV
+ */
+ void computeAdvectiveFlux(PrimaryVariables &flux, const FluxVariables &fluxVars) const
+ {
+ ////////
+ // advective fluxes of all components in all phases
+ ////////
+
+ // data attached to upstream and the downstream vertices
+ // of the current phase
+ const VolumeVariables &up =
+ this->curVolVars_(fluxVars.upstreamIdx());
+ const VolumeVariables &dn =
+ this->curVolVars_(fluxVars.downstreamIdx());
+
+ if(!useMoles) //mass-fraction formulation
+ {
+ // total mass flux - massfraction
+ //KmvpNormal is the Darcy velocity multiplied with the normal vector, calculated in 1p2cfluxvariables.hh
+ flux[conti0EqIdx] +=
+ fluxVars.KmvpNormal() *
+ (( upwindWeight_)*up.density()/up.viscosity()
+ +
+ ((1 - upwindWeight_)*dn.density()/dn.viscosity()));
+
+ // advective flux of the second component - massfraction
+ flux[transportEqIdx] +=
+ fluxVars.KmvpNormal() *
+ (( upwindWeight_)*up.density() * up.massFraction(transportCompIdx)/up.viscosity()
+ +
+ (1 - upwindWeight_)*dn.density()*dn.massFraction(transportCompIdx)/dn.viscosity());
+ }
+ else //mole-fraction formulation
+ {
+ // total mass flux - molefraction
+ //KmvpNormal is the Darcy velocity multiplied with the normal vector, calculated in 1p2cfluxvariables.hh
+ flux[conti0EqIdx] +=
+ fluxVars.KmvpNormal() *
+ (( upwindWeight_)*up.molarDensity()/up.viscosity()
+ +
+ ((1 - upwindWeight_)*dn.molarDensity()/dn.viscosity()));
+
+ // advective flux of the second component -molefraction
+ flux[transportEqIdx] +=
+ fluxVars.KmvpNormal() *
+ (( upwindWeight_)*up.molarDensity() * up.moleFraction(transportCompIdx)/up.viscosity()
+ +
+ (1 - upwindWeight_)*dn.molarDensity() * dn.moleFraction(transportCompIdx)/dn.viscosity());
+ }
+
+ }
+
+ /*!
+ * \brief Adds the diffusive mass flux of all components over
+ * a face of a sub-control volume.
+ *
+ * \param flux The diffusive flux over the sub-control-volume face for each component
+ * \param fluxVars The flux variables at the current SCV
+ */
+ void computeDiffusiveFlux(PrimaryVariables &flux, const FluxVariables &fluxVars) const
+ {
+ Scalar tmp(0);
+
+ // diffusive flux of second component
+ if(useMoles) // mole-fraction formulation
+ {
+ // diffusive flux of the second component - molefraction
+ tmp = -(fluxVars.moleFractionGrad(transportCompIdx)*fluxVars.face().normal);
+ tmp *= fluxVars.porousDiffCoeff() * fluxVars.molarDensity();
+
+ // dispersive flux of second component - molefraction
+ GlobalPosition normalDisp;
+ fluxVars.dispersionTensor().mv(fluxVars.face().normal, normalDisp);
+ tmp -= fluxVars.molarDensity()*
+ (normalDisp * fluxVars.moleFractionGrad(transportCompIdx));
+
+ flux[transportEqIdx] += tmp;
+ }
+ else // mass-fraction formulation
+ {
+ // diffusive flux of the second component - massfraction
+ tmp = -(fluxVars.moleFractionGrad(transportCompIdx)*fluxVars.face().normal);
+ tmp *= fluxVars.porousDiffCoeff() * fluxVars.molarDensity();
+
+ // dispersive flux of second component - massfraction
+ GlobalPosition normalDisp;
+ fluxVars.dispersionTensor().mv(fluxVars.face().normal, normalDisp);
+ tmp -= fluxVars.molarDensity()*
+ (normalDisp * fluxVars.moleFractionGrad(transportCompIdx));
+
+ // convert it to a mass flux and add it
+ flux[transportEqIdx] += tmp * FluidSystem::molarMass(transportCompIdx);
+ }
+ }
+
+ Implementation *asImp_()
+ { return static_cast<Implementation *> (this); }
+ const Implementation *asImp_() const
+ { return static_cast<const Implementation *> (this); }
+
+private:
+ Scalar upwindWeight_;
+};
+
+}
+
+#endif
diff --git a/dumux/porousmediumflow/1p2c/implicit/model.hh b/dumux/porousmediumflow/1p2c/implicit/model.hh
new file mode 100644
index 0000000000..f8d8a9fad7
--- /dev/null
+++ b/dumux/porousmediumflow/1p2c/implicit/model.hh
@@ -0,0 +1,194 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ *
+ * \brief Base class for all models which use the single-phase,
+ * two-component fully implicit model.
+ * Adaption of the fully implicit scheme to the one-phase two-component flow model.
+ */
+
+#ifndef DUMUX_ONEP_TWOC_MODEL_HH
+#define DUMUX_ONEP_TWOC_MODEL_HH
+
+#include <dumux/porousmediumflow/implicit/velocityoutput.hh>
+#include "properties.hh"
+
+namespace Dumux
+{
+
+/*!
+ * \ingroup OnePTwoCModel
+ * \brief Adaption of the fully implicit scheme to the one-phase two-component flow model.
+ *
+ * This model implements a one-phase flow of a compressible fluid, that consists of two components,
+ * using a standard Darcy
+ * approach as the equation for the conservation of momentum:
+ \f[
+ v = - \frac{\textbf K}{\mu}
+ \left(\textbf{grad}\, p - \varrho {\textbf g} \right)
+ \f]
+ *
+ * Gravity can be enabled or disabled via the property system.
+ * By inserting this into the continuity equation, one gets
+ \f[
+ \phi\frac{\partial \varrho}{\partial t} - \text{div} \left\{
+ \varrho \frac{\textbf K}{\mu} \left(\textbf{grad}\, p - \varrho {\textbf g} \right)
+ \right\} = q \;,
+ \f]
+ *
+ * The transport of the components \f$\kappa \in \{ w, a \}\f$ is described by the following equation:
+ \f[
+ \phi \frac{ \partial \varrho X^\kappa}{\partial t}
+ - \text{div} \left\lbrace \varrho X^\kappa \frac{{\textbf K}}{\mu} \left( \textbf{grad}\, p -
+ \varrho {\textbf g} \right)
+ + \varrho D^\kappa_\text{pm} \frac{M^\kappa}{M_\alpha} \textbf{grad} x^\kappa \right\rbrace = q.
+ \f]
+ *
+ * All equations are discretized using a vertex-centered finite volume (box)
+ * or cell-centered finite volume scheme as spatial
+ * and the implicit Euler method as time discretization.
+ * The model is able to use either mole or mass fractions. The property useMoles can be set to either true or false in the
+ * problem file. Make sure that the according units are used in the problem setup. useMoles is set to true by default.
+ *
+ * The primary variables are the pressure \f$p\f$ and the mole or mass fraction of dissolved component \f$x\f$.
+ */
+
+template<class TypeTag >
+class OnePTwoCModel : public GET_PROP_TYPE(TypeTag, BaseModel)
+{
+ typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+ typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, SolutionVector) SolutionVector;
+
+ typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
+ enum { dim = GridView::dimension };
+ enum { dimWorld = GridView::dimensionworld };
+
+ typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
+ enum { phaseIdx = Indices::phaseIdx };
+
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+
+ enum { isBox = GET_PROP_VALUE(TypeTag, ImplicitIsBox) };
+ enum { dofCodim = isBox ? dim : 0 };
+
+public:
+ /*!
+ * \brief \copybrief ImplicitModel::addOutputVtkFields
+ *
+ * Specialization for the OnePTwoCModel, adding pressure,
+ * mass and mole fractions, and the process rank to the VTK writer.
+ */
+ template<class MultiWriter>
+ void addOutputVtkFields(const SolutionVector &sol,
+ MultiWriter &writer)
+ {
+ typedef Dune::BlockVector<Dune::FieldVector<double, 1> > ScalarField;
+ typedef Dune::BlockVector<Dune::FieldVector<double, dimWorld> > VectorField;
+
+ // create the required scalar fields
+ unsigned numDofs = this->numDofs();
+ ScalarField &pressure = *writer.allocateManagedBuffer(numDofs);
+ ScalarField &delp = *writer.allocateManagedBuffer(numDofs);
+ ScalarField &moleFraction0 = *writer.allocateManagedBuffer(numDofs);
+ ScalarField &moleFraction1 = *writer.allocateManagedBuffer(numDofs);
+ ScalarField &massFraction0 = *writer.allocateManagedBuffer(numDofs);
+ ScalarField &massFraction1 = *writer.allocateManagedBuffer(numDofs);
+ ScalarField &rho = *writer.allocateManagedBuffer(numDofs);
+ ScalarField &mu = *writer.allocateManagedBuffer(numDofs);
+ VectorField *velocity = writer.template allocateManagedBuffer<double, dimWorld>(numDofs);
+ ImplicitVelocityOutput<TypeTag> velocityOutput(this->problem_());
+
+ if (velocityOutput.enableOutput())
+ {
+ // initialize velocity field
+ for (unsigned int i = 0; i < numDofs; ++i)
+ {
+ (*velocity)[i] = Scalar(0);
+ }
+ }
+
+ unsigned numElements = this->gridView_().size(0);
+ ScalarField &rank = *writer.allocateManagedBuffer(numElements);
+
+ for (const auto& element : Dune::elements(this->gridView_()))
+ {
+ if(element.partitionType() == Dune::InteriorEntity)
+ {
+ int eIdx = this->problem_().model().elementMapper().index(element);
+
+ rank[eIdx] = this->gridView_().comm().rank();
+
+ FVElementGeometry fvGeometry;
+ fvGeometry.update(this->gridView_(), element);
+
+ ElementVolumeVariables elemVolVars;
+ elemVolVars.update(this->problem_(),
+ element,
+ fvGeometry,
+ false /* oldSol? */);
+
+ for (int scvIdx = 0; scvIdx < fvGeometry.numScv; ++scvIdx)
+ {
+ int dofIdxGlobal = this->dofMapper().subIndex(element, scvIdx, dofCodim);
+
+ pressure[dofIdxGlobal] = elemVolVars[scvIdx].pressure();
+ delp[dofIdxGlobal] = elemVolVars[scvIdx].pressure() - 1e5;
+ moleFraction0[dofIdxGlobal] = elemVolVars[scvIdx].moleFraction(0);
+ moleFraction1[dofIdxGlobal] = elemVolVars[scvIdx].moleFraction(1);
+ massFraction0[dofIdxGlobal] = elemVolVars[scvIdx].massFraction(0);
+ massFraction1[dofIdxGlobal] = elemVolVars[scvIdx].massFraction(1);
+ rho[dofIdxGlobal] = elemVolVars[scvIdx].density();
+ mu[dofIdxGlobal] = elemVolVars[scvIdx].viscosity();
+ }
+
+ // velocity output
+ velocityOutput.calculateVelocity(*velocity, elemVolVars, fvGeometry, element, phaseIdx);
+ }
+ }
+
+ writer.attachDofData(pressure, "P", isBox);
+ writer.attachDofData(delp, "delp", isBox);
+ if (velocityOutput.enableOutput())
+ {
+ writer.attachDofData(*velocity, "velocity", isBox, dim);
+ }
+ char nameMoleFraction0[42], nameMoleFraction1[42];
+ snprintf(nameMoleFraction0, 42, "x_%s", FluidSystem::componentName(0));
+ snprintf(nameMoleFraction1, 42, "x_%s", FluidSystem::componentName(1));
+ writer.attachDofData(moleFraction0, nameMoleFraction0, isBox);
+ writer.attachDofData(moleFraction1, nameMoleFraction1, isBox);
+
+ char nameMassFraction0[42], nameMassFraction1[42];
+ snprintf(nameMassFraction0, 42, "X_%s", FluidSystem::componentName(0));
+ snprintf(nameMassFraction1, 42, "X_%s", FluidSystem::componentName(1));
+ writer.attachDofData(massFraction0, nameMassFraction0, isBox);
+ writer.attachDofData(massFraction1, nameMassFraction1, isBox);
+ writer.attachDofData(rho, "rho", isBox);
+ writer.attachDofData(mu, "mu", isBox);
+ writer.attachCellData(rank, "process rank");
+ }
+};
+}
+
+#include "propertydefaults.hh"
+
+#endif
diff --git a/dumux/porousmediumflow/1p2c/implicit/properties.hh b/dumux/porousmediumflow/1p2c/implicit/properties.hh
new file mode 100644
index 0000000000..7736c97a54
--- /dev/null
+++ b/dumux/porousmediumflow/1p2c/implicit/properties.hh
@@ -0,0 +1,81 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \ingroup Properties
+ * \ingroup ImplicitProperties
+ * \ingroup OnePTwoCModel
+ * \file
+ *
+ * \brief Defines the properties required for the single-phase,
+ * two-component fully implicit model.
+ */
+
+#ifndef DUMUX_1P2C_PROPERTIES_HH
+#define DUMUX_1P2C_PROPERTIES_HH
+
+
+#include <dumux/implicit/box/properties.hh>
+#include <dumux/implicit/cellcentered/properties.hh>
+#include <dumux/porousmediumflow/nonisothermal/implicit/properties.hh>
+
+namespace Dumux
+{
+// \{
+namespace Properties
+{
+
+//////////////////////////////////////////////////////////////////
+// Type tags
+//////////////////////////////////////////////////////////////////
+
+//! The type tags for the implicit isothermal one-phase two-component problems
+NEW_TYPE_TAG(OnePTwoC);
+NEW_TYPE_TAG(BoxOnePTwoC, INHERITS_FROM(BoxModel, OnePTwoC));
+NEW_TYPE_TAG(CCOnePTwoC, INHERITS_FROM(CCModel, OnePTwoC));
+
+//! The type tags for the corresponding non-isothermal problems
+NEW_TYPE_TAG(OnePTwoCNI, INHERITS_FROM(OnePTwoC, NonIsothermal));
+NEW_TYPE_TAG(BoxOnePTwoCNI, INHERITS_FROM(BoxModel, OnePTwoCNI));
+NEW_TYPE_TAG(CCOnePTwoCNI, INHERITS_FROM(CCModel, OnePTwoCNI));
+
+//////////////////////////////////////////////////////////////////
+// Property tags
+//////////////////////////////////////////////////////////////////
+
+NEW_PROP_TAG(NumPhases); //!< Number of fluid phases in the system
+NEW_PROP_TAG(PhaseIdx); //!< A phase index in to allow that a two-phase fluidsystem is used
+NEW_PROP_TAG(NumComponents); //!< Number of fluid components in the system
+NEW_PROP_TAG(Indices); //!< Enumerations for the model
+NEW_PROP_TAG(SpatialParams); //!< The type of the spatial parameters
+NEW_PROP_TAG(EffectiveDiffusivityModel); //!< The employed model for the computation of the effective diffusivity
+NEW_PROP_TAG(FluidSystem); //!< Type of the multi-component relations
+NEW_PROP_TAG(FluidState); //!< Type of the fluid state to be used
+NEW_PROP_TAG(ImplicitMassUpwindWeight); //!< The default value of the upwind weight
+NEW_PROP_TAG(ImplicitMobilityUpwindWeight); //!< Weight for the upwind mobility in the velocity calculation
+NEW_PROP_TAG(ProblemEnableGravity); //!< Returns whether gravity is considered in the problem
+NEW_PROP_TAG(UseMoles); //!< Defines whether mole (true) or mass (false) fractions are used
+NEW_PROP_TAG(Scaling); //!< Defines Scaling of the model
+NEW_PROP_TAG(SpatialParamsForchCoeff); //!< Property for the forchheimer coefficient
+NEW_PROP_TAG(VtkAddVelocity); //!< Returns whether velocity vectors are written into the vtk output
+
+}
+// \}
+}
+
+#endif
diff --git a/dumux/porousmediumflow/1p2c/implicit/propertydefaults.hh b/dumux/porousmediumflow/1p2c/implicit/propertydefaults.hh
new file mode 100644
index 0000000000..cd9de92b12
--- /dev/null
+++ b/dumux/porousmediumflow/1p2c/implicit/propertydefaults.hh
@@ -0,0 +1,158 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \ingroup Properties
+ * \ingroup ImplicitProperties
+ * \ingroup OnePTwoCModel
+ * \file
+ *
+ * \brief Defines some default values for the properties of the the
+ * single-phase, two-component fully implicit model.
+ */
+
+#ifndef DUMUX_1P2C_PROPERTY_DEFAULTS_HH
+#define DUMUX_1P2C_PROPERTY_DEFAULTS_HH
+
+#include "properties.hh"
+#include "model.hh"
+#include "localresidual.hh"
+#include "volumevariables.hh"
+#include "fluxvariables.hh"
+#include "indices.hh"
+
+#include <dumux/porousmediumflow/nonisothermal/implicit/propertydefaults.hh>
+#include <dumux/material/spatialparams/implicitspatialparams1p.hh>
+#include <dumux/material/fluidmatrixinteractions/diffusivitymillingtonquirk.hh>
+#include <dumux/material/fluidmatrixinteractions/1p/thermalconductivityaverage.hh>
+#include <dumux/material/fluidstates/compositionalfluidstate.hh>
+
+namespace Dumux
+{
+// \{
+namespace Properties
+{
+//////////////////////////////////////////////////////////////////
+// Property values
+//////////////////////////////////////////////////////////////////
+
+
+SET_INT_PROP(OnePTwoC, NumEq, 2); //!< set the number of equations to 2
+SET_INT_PROP(OnePTwoC, NumPhases, 1); //!< The number of phases in the 1p2c model is 1
+SET_INT_PROP(OnePTwoC, NumComponents, 2); //!< The number of components in the 1p2c model is 2
+SET_SCALAR_PROP(OnePTwoC, Scaling, 1); //!< Scaling of the model is set to 1 by default
+SET_BOOL_PROP(OnePTwoC, UseMoles, true); //!< Define that mole fractions are used in the balance equations
+
+//! Use the 1p2c local residual function for the 1p2c model
+SET_TYPE_PROP(OnePTwoC, LocalResidual, OnePTwoCLocalResidual<TypeTag>);
+
+//! define the model
+SET_TYPE_PROP(OnePTwoC, Model, OnePTwoCModel<TypeTag>);
+
+//! define the VolumeVariables
+SET_TYPE_PROP(OnePTwoC, VolumeVariables, OnePTwoCVolumeVariables<TypeTag>);
+
+//! define the FluxVariables
+SET_TYPE_PROP(OnePTwoC, FluxVariables, OnePTwoCFluxVariables<TypeTag>);
+
+/*!
+ * \brief The fluid state which is used by the volume variables to
+ * store the thermodynamic state. This should be chosen
+ * appropriately for the model ((non-)isothermal, equilibrium, ...).
+ * This can be done in the problem.
+ */
+SET_PROP(OnePTwoC, FluidState){
+ private:
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+ public:
+ typedef Dumux::CompositionalFluidState<Scalar, FluidSystem> type;
+};
+
+//! set default upwind weight to 1.0, i.e. fully upwind
+SET_SCALAR_PROP(OnePTwoC, ImplicitMassUpwindWeight, 1.0);
+
+//! weight for the upwind mobility in the velocity calculation
+SET_SCALAR_PROP(OnePTwoC, ImplicitMobilityUpwindWeight, 1.0);
+
+//! Set the indices used by the 1p2c model
+SET_TYPE_PROP(OnePTwoC, Indices, OnePTwoCIndices<TypeTag>);
+//! The spatial parameters to be employed.
+//! Use ImplicitSpatialParamsOneP by default.
+SET_TYPE_PROP(OnePTwoC, SpatialParams, ImplicitSpatialParamsOneP<TypeTag>);
+
+//! The model after Millington (1961) is used for the effective diffusivity
+SET_PROP(OnePTwoC, EffectiveDiffusivityModel)
+{ private :
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ public:
+ typedef DiffusivityMillingtonQuirk<Scalar> type;
+};
+
+//! Set the phaseIndex per default to zero (important for two-phase fluidsystems).
+SET_INT_PROP(OnePTwoC, PhaseIdx, 0);
+
+// disable velocity output by default
+SET_BOOL_PROP(OnePTwoC, VtkAddVelocity, false);
+
+// enable gravity by default
+SET_BOOL_PROP(OnePTwoC, ProblemEnableGravity, true);
+
+//! default value for the forchheimer coefficient
+// Source: Ward, J.C. 1964 Turbulent flow in porous media. ASCE J. Hydraul. Div 90.
+// Actually the Forchheimer coefficient is also a function of the dimensions of the
+// porous medium. Taking it as a constant is only a first approximation
+// (Nield, Bejan, Convection in porous media, 2006, p. 10)
+SET_SCALAR_PROP(OnePTwoC, SpatialParamsForchCoeff, 0.55);
+
+//! average is used as default model to compute the effective thermal heat conductivity
+SET_PROP(OnePTwoCNI, ThermalConductivityModel)
+{ private :
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ public:
+ typedef ThermalConductivityAverage<Scalar> type;
+};
+
+//////////////////////////////////////////////////////////////////
+// Property values for isothermal model required for the general non-isothermal model
+//////////////////////////////////////////////////////////////////
+
+// set isothermal Model
+SET_TYPE_PROP(OnePTwoCNI, IsothermalModel, OnePTwoCModel<TypeTag>);
+
+// set isothermal FluxVariables
+SET_TYPE_PROP(OnePTwoCNI, IsothermalFluxVariables, OnePTwoCFluxVariables<TypeTag>);
+
+//set isothermal VolumeVariables
+SET_TYPE_PROP(OnePTwoCNI, IsothermalVolumeVariables, OnePTwoCVolumeVariables<TypeTag>);
+
+//set isothermal LocalResidual
+SET_TYPE_PROP(OnePTwoCNI, IsothermalLocalResidual, OnePTwoCLocalResidual<TypeTag>);
+
+//set isothermal Indices
+SET_TYPE_PROP(OnePTwoCNI, IsothermalIndices, OnePTwoCIndices<TypeTag>);
+
+//set isothermal NumEq
+SET_INT_PROP(OnePTwoCNI, IsothermalNumEq, 2);
+
+
+}
+// \}
+}
+
+#endif
diff --git a/dumux/porousmediumflow/1p2c/implicit/volumevariables.hh b/dumux/porousmediumflow/1p2c/implicit/volumevariables.hh
new file mode 100644
index 0000000000..1e73c90a42
--- /dev/null
+++ b/dumux/porousmediumflow/1p2c/implicit/volumevariables.hh
@@ -0,0 +1,287 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ * \brief Quantities required by the single-phase, two-component box
+ * model defined on a vertex.
+ */
+#ifndef DUMUX_1P2C_VOLUME_VARIABLES_HH
+#define DUMUX_1P2C_VOLUME_VARIABLES_HH
+
+#include <dumux/implicit/volumevariables.hh>
+
+#include "properties.hh"
+
+namespace Dumux
+{
+
+/*!
+ * \ingroup OnePTwoCModel
+ * \ingroup ImplicitVolumeVariables
+ * \brief Contains the quantities which are constant within a
+ * finite volume in the single-phase, two-component model.
+ */
+template <class TypeTag>
+class OnePTwoCVolumeVariables : public ImplicitVolumeVariables<TypeTag>
+{
+ typedef ImplicitVolumeVariables<TypeTag> ParentType;
+
+ typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
+ typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) Implementation;
+ typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
+ typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+ static const bool useMoles = GET_PROP_VALUE(TypeTag, UseMoles);
+
+ typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
+ enum {
+ phaseIdx = Indices::phaseIdx,
+ phaseCompIdx = Indices::phaseCompIdx,
+ transportCompIdx = Indices::transportCompIdx
+ };
+ //indices of primary variables
+ enum{
+ pressureIdx = Indices::pressureIdx,
+ massOrMoleFracIdx = Indices::massOrMoleFracIdx
+ };
+
+ typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
+ typedef typename GridView::template Codim<0>::Entity Element;
+ enum { dim = GridView::dimension };
+ enum { dimWorld = GridView::dimensionworld };
+
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef Dune::FieldVector<Scalar,dim> DimVector;
+ typedef Dune::FieldVector<Scalar,dimWorld> GlobalPosition;
+
+public:
+
+ typedef typename GET_PROP_TYPE(TypeTag, FluidState) FluidState;
+
+ /*!
+ * \copydoc ImplicitVolumeVariables::update
+ */
+ void update(const PrimaryVariables &priVars,
+ const Problem &problem,
+ const Element &element,
+ const FVElementGeometry &fvGeometry,
+ const int scvIdx,
+ const bool isOldSol)
+ {
+ ParentType::update(priVars, problem, element, fvGeometry, scvIdx, isOldSol);
+
+ //calculate all secondary variables from the primary variables and store results in fluidstate
+ completeFluidState(priVars, problem, element, fvGeometry, scvIdx, fluidState_);
+
+ porosity_ = problem.spatialParams().porosity(element, fvGeometry, scvIdx);
+
+ dispersivity_ = problem.spatialParams().dispersivity(element, fvGeometry, scvIdx);
+
+ // Second instance of a parameter cache.
+ // Could be avoided if diffusion coefficients also
+ // became part of the fluid state.
+ typename FluidSystem::ParameterCache paramCache;
+ paramCache.updatePhase(fluidState_, phaseIdx);
+
+ diffCoeff_ = FluidSystem::binaryDiffusionCoefficient(fluidState_,
+ paramCache,
+ phaseIdx,
+ phaseCompIdx,
+ transportCompIdx);
+
+ Valgrind::CheckDefined(porosity_);
+ Valgrind::CheckDefined(dispersivity_);
+ Valgrind::CheckDefined(diffCoeff_);
+
+ // energy related quantities not contained in the fluid state
+ asImp_().updateEnergy_(priVars, problem, element, fvGeometry, scvIdx, isOldSol);
+ }
+
+ /*!
+ * \copydoc ImplicitModel::completeFluidState
+ */
+ static void completeFluidState(const PrimaryVariables& priVars,
+ const Problem& problem,
+ const Element& element,
+ const FVElementGeometry& fvGeometry,
+ const int scvIdx,
+ FluidState& fluidState)
+ {
+ Scalar t = Implementation::temperature_(priVars, problem, element,
+ fvGeometry, scvIdx);
+ fluidState.setTemperature(t);
+ fluidState.setSaturation(phaseIdx, 1.);
+
+ fluidState.setPressure(phaseIdx, priVars[pressureIdx]);
+
+ if(useMoles)
+ {
+ fluidState.setMoleFraction(phaseIdx, phaseCompIdx, 1 - priVars[massOrMoleFracIdx]);
+ fluidState.setMoleFraction(phaseIdx, transportCompIdx, priVars[massOrMoleFracIdx]);
+ }
+ else
+ {
+ // setMassFraction() has only to be called 1-numComponents times
+ fluidState.setMassFraction(phaseIdx, transportCompIdx, priVars[massOrMoleFracIdx]);
+ }
+
+ typename FluidSystem::ParameterCache paramCache;
+ paramCache.updatePhase(fluidState, phaseIdx);
+
+ Scalar value;
+ value = FluidSystem::density(fluidState, paramCache, phaseIdx);
+ fluidState.setDensity(phaseIdx, value);
+ value = FluidSystem::viscosity(fluidState, paramCache, phaseIdx);
+ fluidState.setViscosity(phaseIdx, value);
+
+ // compute and set the enthalpy
+ Scalar h = Implementation::enthalpy_(fluidState, paramCache, phaseIdx);
+ fluidState.setEnthalpy(phaseIdx, h);
+ }
+
+ /*!
+ * \brief Return the fluid configuration at the given primary
+ * variables
+ */
+ const FluidState &fluidState() const
+ { return fluidState_; }
+
+ /*!
+ * \brief Return density \f$\mathrm{[kg/m^3]}\f$ the of the fluid phase.
+ */
+ Scalar density() const
+ { return fluidState_.density(phaseIdx); }
+
+ /*!
+ * \brief Return molar density \f$\mathrm{[mol/m^3]}\f$ the of the fluid phase.
+ */
+ Scalar molarDensity() const
+ { return fluidState_.molarDensity(phaseIdx);}
+
+ /*!
+ * \brief Return mole fraction \f$\mathrm{[mol/mol]}\f$ of a component in the phase.
+ *
+ * \param compIdx The index of the component
+ */
+ Scalar moleFraction(int compIdx) const
+ { return fluidState_.moleFraction(phaseIdx, (compIdx==0)?phaseCompIdx:transportCompIdx); }
+
+ /*!
+ * \brief Return mass fraction \f$\mathrm{[kg/kg]}\f$ of a component in the phase.
+ *
+ * \param compIdx The index of the component
+ */
+ Scalar massFraction(int compIdx) const
+ { return fluidState_.massFraction(phaseIdx, (compIdx==0)?phaseCompIdx:transportCompIdx); }
+
+ /*!
+ * \brief Return concentration \f$\mathrm{[mol/m^3]}\f$ of a component in the phase.
+ *
+ * \param compIdx The index of the component
+ */
+ Scalar molarity(int compIdx) const
+ { return fluidState_.molarity(phaseIdx, (compIdx==0)?phaseCompIdx:transportCompIdx); }
+
+ /*!
+ * \brief Return the effective pressure \f$\mathrm{[Pa]}\f$ of a given phase within
+ * the control volume.
+ */
+ Scalar pressure() const
+ { return fluidState_.pressure(phaseIdx); }
+
+ /*!
+ * \brief Return the binary diffusion coefficient \f$\mathrm{[m^2/s]}\f$ in the fluid.
+ */
+ Scalar diffCoeff() const
+ { return diffCoeff_; }
+
+ /*!
+ * \brief Returns the dispersivity of the fluid's streamlines.
+ */
+ const GlobalPosition &dispersivity() const
+ { return dispersivity_; }
+
+ /*!
+ * \brief Return temperature \f$\mathrm{[K]}\f$ inside the sub-control volume.
+ *
+ * Note that we assume thermodynamic equilibrium, i.e. the
+ * temperature of the rock matrix and of all fluid phases are
+ * identical.
+ */
+ Scalar temperature() const
+ { return fluidState_.temperature(phaseIdx); }
+
+ /*!
+ * \brief Return the dynamic viscosity \f$\mathrm{[Pa*s]}\f$ of a given phase
+ * within the control volume.
+ */
+ Scalar viscosity() const
+ { return fluidState_.viscosity(phaseIdx); }
+
+ /*!
+ * \brief Return the average porosity \f$\mathrm{[-]}\f$ within the control volume.
+ */
+ Scalar porosity() const
+ { return porosity_; }
+
+protected:
+ static Scalar temperature_(const PrimaryVariables &priVars,
+ const Problem& problem,
+ const Element &element,
+ const FVElementGeometry &fvGeometry,
+ const int scvIdx)
+ {
+ return problem.temperatureAtPos(fvGeometry.subContVol[scvIdx].global);
+ }
+
+ template<class ParameterCache>
+ static Scalar enthalpy_(const FluidState& fluidState,
+ const ParameterCache& paramCache,
+ const int phaseIdx)
+ {
+ return 0;
+ }
+
+ /*!
+ * \brief Called by update() to compute the energy related quantities.
+ */
+ void updateEnergy_(const PrimaryVariables &priVars,
+ const Problem &problem,
+ const Element &element,
+ const FVElementGeometry &fvGeometry,
+ const int scvIdx,
+ const bool isOldSol)
+ { }
+
+ Scalar porosity_; //!< Effective porosity within the control volume
+ GlobalPosition dispersivity_;
+ Scalar diffCoeff_;
+ FluidState fluidState_;
+
+private:
+ Implementation &asImp_()
+ { return *static_cast<Implementation*>(this); }
+
+ const Implementation &asImp_() const
+ { return *static_cast<const Implementation*>(this); }
+};
+
+}// end namespace
+
+#endif
diff --git a/dumux/porousmediumflow/2p2c/implicit/fluxvariables.hh b/dumux/porousmediumflow/2p2c/implicit/fluxvariables.hh
new file mode 100644
index 0000000000..73224c6306
--- /dev/null
+++ b/dumux/porousmediumflow/2p2c/implicit/fluxvariables.hh
@@ -0,0 +1,255 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ * \brief Contains the data which is required to calculate
+ * all fluxes of components over a face of a finite volume for
+ * the two-phase two-component model fully implicit model.
+ */
+#ifndef DUMUX_2P2C_FLUX_VARIABLES_HH
+#define DUMUX_2P2C_FLUX_VARIABLES_HH
+
+#include <dumux/common/math.hh>
+#include <dumux/common/spline.hh>
+
+#include "properties.hh"
+
+namespace Dumux
+{
+
+/*!
+ * \ingroup TwoPTwoCModel
+ * \ingroup ImplicitFluxVariables
+ * \brief Contains the data which is required to calculate
+ * all fluxes of components over a face of a finite volume for
+ * the two-phase two-component model fully implicit model.
+ *
+ * This means pressure and concentration gradients, phase densities at
+ * the integration point, etc.
+ */
+template <class TypeTag>
+class TwoPTwoCFluxVariables : public GET_PROP_TYPE(TypeTag, BaseFluxVariables)
+{
+ typedef typename GET_PROP_TYPE(TypeTag, BaseFluxVariables) BaseFluxVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
+ typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, EffectiveDiffusivityModel) EffectiveDiffusivityModel;
+ enum { numPhases = GET_PROP_VALUE(TypeTag, NumPhases) };
+
+ typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
+ enum {
+ wPhaseIdx = Indices::wPhaseIdx,
+ nPhaseIdx = Indices::nPhaseIdx,
+ wCompIdx = Indices::wCompIdx,
+ nCompIdx = Indices::nCompIdx
+ };
+
+ typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
+ typedef typename GridView::template Codim<0>::Entity Element;
+ enum { dim = GridView::dimension };
+ enum { dimWorld = GridView::dimensionworld} ;
+
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef Dune::FieldVector<Scalar, dim> DimVector;
+ typedef Dune::FieldVector<Scalar, dimWorld> GlobalPosition;
+
+ typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
+
+ public:
+ /*!
+ * \brief The constructor
+ *
+ * \param problem The problem
+ * \param element The finite element
+ * \param fvGeometry The finite-volume geometry in the fully implicit scheme
+ * \param fIdx The local index of the sub-control-volume face
+ * \param elemVolVars The volume variables of the current element
+ * \param onBoundary Evaluate flux at inner sub-control-volume face or on a boundary face
+ */
+ TwoPTwoCFluxVariables(const Problem &problem,
+ const Element &element,
+ const FVElementGeometry &fvGeometry,
+ const int fIdx,
+ const ElementVolumeVariables &elemVolVars,
+ const bool onBoundary = false)
+ : BaseFluxVariables(problem, element, fvGeometry, fIdx, elemVolVars, onBoundary)
+ {
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
+ density_[phaseIdx] = Scalar(0);
+ molarDensity_[phaseIdx] = Scalar(0);
+ moleFractionGrad_[phaseIdx] = Scalar(0);
+ }
+
+ calculateValues_(problem, element, elemVolVars);
+ }
+
+ protected:
+ void calculateValues_(const Problem &problem,
+ const Element &element,
+ const ElementVolumeVariables &elemVolVars)
+ {
+ // calculate densities at the integration points of the face
+ GlobalPosition tmp(0.0);
+ for (unsigned int idx = 0;
+ idx < this->face().numFap;
+ idx++) // loop over adjacent vertices
+ {
+ // index for the element volume variables
+ int volVarsIdx = this->face().fapIndices[idx];
+
+ for (int phaseIdx = 0; phaseIdx < numPhases; phaseIdx++)
+ {
+ density_[phaseIdx] += elemVolVars[volVarsIdx].density(phaseIdx)*
+ this->face().shapeValue[idx];
+ molarDensity_[phaseIdx] += elemVolVars[volVarsIdx].molarDensity(phaseIdx)*
+ this->face().shapeValue[idx];
+ }
+ }
+
+ calculateGradients_(problem, element, elemVolVars);
+ calculatePorousDiffCoeff_(problem, element, elemVolVars);
+ }
+
+ void calculateGradients_(const Problem &problem,
+ const Element &element,
+ const ElementVolumeVariables &elemVolVars)
+ {
+ // calculate gradients
+ GlobalPosition tmp(0.0);
+ for (unsigned int idx = 0;
+ idx < this->face().numFap;
+ idx++) // loop over adjacent vertices
+ {
+ // FE gradient at vertex idx
+ const GlobalPosition &feGrad = this->face().grad[idx];
+
+ // index for the element volume variables
+ int volVarsIdx = this->face().fapIndices[idx];
+
+ // the mole fraction gradient of the wetting phase
+ tmp = feGrad;
+ tmp *= elemVolVars[volVarsIdx].moleFraction(wPhaseIdx, nCompIdx);
+ moleFractionGrad_[wPhaseIdx] += tmp;
+
+ // the mole fraction gradient of the non-wetting phase
+ tmp = feGrad;
+ tmp *= elemVolVars[volVarsIdx].moleFraction(nPhaseIdx, wCompIdx);
+ moleFractionGrad_[nPhaseIdx] += tmp;
+ }
+ }
+
+ Scalar rhoFactor_(int phaseIdx, int scvIdx, const ElementVolumeVariables &vDat)
+ {
+ static const Scalar eps = 1e-2;
+ const Scalar sat = vDat[scvIdx].density(phaseIdx);
+ if (sat > eps)
+ return 0.5;
+ if (sat <= 0)
+ return 0;
+
+ static const Dumux::Spline<Scalar> sp(0, eps, // x0, x1
+ 0, 0.5, // y0, y1
+ 0, 0); // m0, m1
+ return sp.eval(sat);
+ }
+
+ void calculatePorousDiffCoeff_(const Problem &problem,
+ const Element &element,
+ const ElementVolumeVariables &elemVolVars)
+ {
+ const VolumeVariables &volVarsI = elemVolVars[this->face().i];
+ const VolumeVariables &volVarsJ = elemVolVars[this->face().j];
+
+ // the effective diffusion coefficients at vertex i and j
+ Scalar diffCoeffI;
+ Scalar diffCoeffJ;
+
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ {
+ // make sure to only calculate diffusion coefficients
+ // for phases which exist in both finite volumes
+ if (volVarsI.saturation(phaseIdx) <= 0 || volVarsJ.saturation(phaseIdx) <= 0)
+ {
+ porousDiffCoeff_[phaseIdx] = 0.0;
+ continue;
+ }
+
+ diffCoeffI = EffectiveDiffusivityModel::effectiveDiffusivity(volVarsI.porosity(),
+ volVarsI.saturation(phaseIdx),
+ volVarsI.diffCoeff(phaseIdx));
+
+ diffCoeffJ = EffectiveDiffusivityModel::effectiveDiffusivity(volVarsJ.porosity(),
+ volVarsJ.saturation(phaseIdx),
+ volVarsJ.diffCoeff(phaseIdx));
+
+ // -> harmonic mean
+ porousDiffCoeff_[phaseIdx] = harmonicMean(diffCoeffI, diffCoeffJ);
+ }
+ }
+
+ public:
+ /*!
+ * \brief Returns the effective diffusion coefficient \f$\mathrm{[m^2/s]}\f$
+ * for each fluid phase in the porous medium.
+ *
+ * \param phaseIdx The phase index
+ */
+ Scalar porousDiffCoeff(int phaseIdx) const
+ { return porousDiffCoeff_[phaseIdx]; };
+
+ /*!
+ * \brief Returns the density \f$\mathrm{[kg/m^3]}\f$ of a phase.
+ *
+ * \param phaseIdx The phase index
+ */
+ Scalar density(int phaseIdx) const
+ { return density_[phaseIdx]; }
+
+ /*!
+ * \brief Returns the molar density \f$\mathrm{[mol/m^3]}\f$ of a phase.
+ *
+ * \param phaseIdx The phase index
+ */
+ Scalar molarDensity(int phaseIdx) const
+ { return molarDensity_[phaseIdx]; }
+
+ /*!
+ * \brief Returns the mole fraction gradient \f$\mathrm{[1/m]}\f$
+ * of the dissolved component in a phase.
+ *
+ * \param phaseIdx The phase index
+ */
+ const GlobalPosition &moleFractionGrad(int phaseIdx) const
+ { return moleFractionGrad_[phaseIdx]; };
+
+ protected:
+ // mole fraction gradients
+ GlobalPosition moleFractionGrad_[numPhases];
+
+ // density of each face at the integration point
+ Scalar density_[numPhases], molarDensity_[numPhases];
+
+ // the diffusion coefficient for the porous medium
+ Scalar porousDiffCoeff_[numPhases];
+};
+
+} // end namespace
+
+#endif
diff --git a/dumux/porousmediumflow/2p2c/implicit/indices.hh b/dumux/porousmediumflow/2p2c/implicit/indices.hh
new file mode 100644
index 0000000000..a3518b278f
--- /dev/null
+++ b/dumux/porousmediumflow/2p2c/implicit/indices.hh
@@ -0,0 +1,145 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+
+/*!
+ * \file
+ * \brief Defines the indices required for the two-phase two-component
+ * fully implicit model.
+ */
+#ifndef DUMUX_2P2C_INDICES_HH
+#define DUMUX_2P2C_INDICES_HH
+
+#include "properties.hh"
+
+namespace Dumux
+{
+// \{
+
+/*!
+ * \ingroup TwoPTwoCModel
+ * \ingroup ImplicitIndices
+ * \brief Enumerates the formulations which the two-phase two-component model accepts.
+ */
+struct TwoPTwoCFormulation
+{
+ static const int pwsn = 0; //!< pw and sn as primary variables
+ static const int pnsw = 1; //!< pn and sw as primary variables
+};
+
+/*!
+ * \ingroup TwoPTwoCModel
+ * \ingroup ImplicitIndices
+ * \brief The indices for the isothermal two-phase two-component model.
+ *
+ * \tparam formulation The formulation, either pwsn or pnsw.
+ * \tparam PVOffset The first index in a primary variable vector.
+ */
+template <class TypeTag,
+ int formulation = TwoPTwoCFormulation::pwsn,
+ int PVOffset = 0>
+class TwoPTwoCIndices
+{
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+
+public:
+ // Phase indices
+ static const int wPhaseIdx = FluidSystem::wPhaseIdx; //!< Index of the wetting phase
+ static const int nPhaseIdx = FluidSystem::nPhaseIdx; //!< Index of the non-wetting phase
+
+ // Component indices
+ static const int wCompIdx = FluidSystem::wCompIdx; //!< Index of the primary component of the wetting phase
+ static const int nCompIdx = FluidSystem::nCompIdx; //!< Index of the primary component of the non-wetting phase
+
+ // present phases (-> 'pseudo' primary variable)
+ static const int wPhaseOnly = 1; //!< Only the wetting phase is present
+ static const int nPhaseOnly = 0; //!< Only the non-wetting phase is present
+ static const int bothPhases = 2; //!< Both phases are present
+
+ // Primary variable indices
+ //! Index for wetting/non-wetting phase pressure (depending on the formulation) in a solution vector
+ static const int pressureIdx = PVOffset + 0;
+ //! Index of either the saturation or the mass fraction of the non-wetting/wetting phase
+ static const int switchIdx = PVOffset + 1;
+
+ //! Index for wetting phase pressure in a solution vector
+ static const int pwIdx = pressureIdx;
+ //! Index of either the saturation of the non-wetting phase or the mass fraction secondary component in the only phase
+ static const int snOrXIdx = switchIdx;
+
+ // equation indices
+ //! Index of the mass conservation equation for the first component
+ static const int conti0EqIdx = PVOffset;
+ //! Index of the mass conservation equation for the primary component of the wetting phase
+ static const int contiWEqIdx = conti0EqIdx + wCompIdx;
+ //! Index of the mass conservation equation for the primary component of the non-wetting phase
+ static const int contiNEqIdx = conti0EqIdx + nCompIdx;
+};
+
+/*!
+ * \ingroup TwoPTwoCModel
+ * \ingroup ImplicitIndices
+ * \brief The indices for the isothermal two-phase two-component model in the pn-sw
+ * formulation.
+ *
+ * \tparam PVOffset The first index in a primary variable vector.
+ */
+template <class TypeTag, int PVOffset>
+class TwoPTwoCIndices<TypeTag, TwoPTwoCFormulation::pnsw, PVOffset>
+{
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+
+public:
+ // Phase indices
+ static const int wPhaseIdx = FluidSystem::wPhaseIdx; //!< Index of the wetting phase
+ static const int nPhaseIdx = FluidSystem::nPhaseIdx; //!< Index of the non-wetting phase
+
+ // Component indices
+ static const int wCompIdx = FluidSystem::wCompIdx; //!< Index of the primary component of the wetting phase
+ static const int nCompIdx = FluidSystem::nCompIdx; //!< Index of the primary component of the non-wetting phase
+
+ // present phases (-> 'pseudo' primary variable)
+ static const int wPhaseOnly = 1; //!< Only the wetting phase is present
+ static const int nPhaseOnly = 2; //!< Only the non-wetting phase is present
+ static const int bothPhases = 3; //!< Both phases are present
+
+ // Primary variable indices
+ //! Index for wetting/non-wetting phase pressure (depending on the formulation) in a solution vector
+ static const int pressureIdx = PVOffset + 0;
+ //! Index of either the saturation or the mass fraction of the non-wetting/wetting phase
+ static const int switchIdx = PVOffset + 1;
+
+ //! Index for non-wetting phase pressure in a solution vector
+ static const int pnIdx = pressureIdx;
+ //! Index of either the saturation of the liquid phase or the mass fraction of the secondary component in the only phase
+ static const int swOrXIdx = switchIdx;
+
+ // Equation indices
+ //! Index of the mass conservation equation for the first component
+ static const int conti0EqIdx = PVOffset;
+ //! Index of the mass conservation equation for the primary component of the wetting phase
+ static const int contiWEqIdx = conti0EqIdx + wCompIdx;
+ //! Index of the mass conservation equation for the primary component of the non-wetting phase
+ static const int contiNEqIdx = conti0EqIdx + nCompIdx;
+};
+
+// \}
+
+}
+
+#endif
diff --git a/dumux/porousmediumflow/2p2c/implicit/localresidual.hh b/dumux/porousmediumflow/2p2c/implicit/localresidual.hh
new file mode 100644
index 0000000000..bd059ad725
--- /dev/null
+++ b/dumux/porousmediumflow/2p2c/implicit/localresidual.hh
@@ -0,0 +1,507 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ *
+ * \brief Element-wise calculation of the Jacobian matrix for problems
+ * using the two-phase two-component fully implicit model.
+ */
+
+#ifndef DUMUX_2P2C_LOCAL_RESIDUAL_BASE_HH
+#define DUMUX_2P2C_LOCAL_RESIDUAL_BASE_HH
+
+#include "properties.hh"
+
+namespace Dumux
+{
+/*!
+ * \ingroup TwoPTwoCModel
+ * \ingroup ImplicitLocalResidual
+ * \brief Element-wise calculation of the Jacobian matrix for problems
+ * using the two-phase two-component fully implicit model.
+ *
+ * This class is used to fill the gaps in ImplicitLocalResidual for the
+ * two-phase two-component flow.
+ */
+template<class TypeTag>
+class TwoPTwoCLocalResidual: public GET_PROP_TYPE(TypeTag, BaseLocalResidual)
+{
+ protected:
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef typename GET_PROP_TYPE(TypeTag, LocalResidual) Implementation;
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+ typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
+ typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, ElementBoundaryTypes) ElementBoundaryTypes;
+ typedef typename GET_PROP_TYPE(TypeTag, FluxVariables) FluxVariables;
+ enum
+ {
+ numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
+ numComponents = GET_PROP_VALUE(TypeTag, NumComponents)
+ };
+
+ typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
+ enum
+ {
+ contiWEqIdx = Indices::contiWEqIdx,
+ contiNEqIdx = Indices::contiNEqIdx,
+ wPhaseIdx = Indices::wPhaseIdx,
+ nPhaseIdx = Indices::nPhaseIdx,
+ wCompIdx = Indices::wCompIdx,
+ nCompIdx = Indices::nCompIdx
+ };
+
+ typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
+ typedef typename GridView::template Codim<0>::Entity Element;
+
+ static constexpr unsigned int replaceCompEqIdx =
+ GET_PROP_VALUE(TypeTag, ReplaceCompEqIdx);
+
+ //! Property that defines whether mole or mass fractions are used
+ static const bool useMoles = GET_PROP_VALUE(TypeTag, UseMoles);
+
+ public:
+ /*!
+ * \brief Constructor
+ *
+ * Sets the mass upwind weight.
+ */
+ TwoPTwoCLocalResidual()
+ {
+ // retrieve the upwind weight for the mass conservation equations. Use the value
+ // specified via the property system as default, and overwrite
+ // it by the run-time parameter from the Dune::ParameterTree
+ massUpwindWeight_ = GET_PARAM_FROM_GROUP(TypeTag, Scalar, Implicit, MassUpwindWeight);
+ }
+
+ /*!
+ * \brief Evaluate the storage term of the current solution in a
+ * single phase.
+ *
+ * \param element The element
+ * \param phaseIdx The index of the fluid phase
+ */
+ void evalPhaseStorage(const Element &element, const int phaseIdx)
+ {
+ FVElementGeometry fvGeometry;
+ fvGeometry.update(this->gridView_(), element);
+ ElementBoundaryTypes bcTypes;
+ bcTypes.update(this->problem_(), element, fvGeometry);
+ ElementVolumeVariables elemVolVars;
+ elemVolVars.update(this->problem_(), element, fvGeometry, false);
+
+ this->storageTerm_.resize(fvGeometry.numScv);
+ this->storageTerm_ = 0;
+
+ this->elemPtr_ = &element;
+ this->fvElemGeomPtr_ = &fvGeometry;
+ this->bcTypesPtr_ = &bcTypes;
+ this->prevVolVarsPtr_ = 0;
+ this->curVolVarsPtr_ = &elemVolVars;
+ evalPhaseStorage_(phaseIdx);
+ }
+
+ /*!
+ * \brief Evaluate the amount of all conservation quantities
+ * (e.g. phase mass) within a sub-control volume.
+ *
+ * \param storage The mass of the component within the sub-control volume
+ * \param scvIdx The sub-control-volume index
+ * \param usePrevSol Based on usePrevSol solution of current or previous time step is used
+ *
+ * The result should be averaged over the volume (e.g. phase mass
+ * inside a sub-control volume divided by the volume)
+ */
+ void computeStorage(PrimaryVariables &storage, const int scvIdx, bool usePrevSol) const
+ {
+ // if flag usePrevSol is set, the solution from the previous
+ // time step is used, otherwise the current solution is
+ // used. The secondary variables are used accordingly. This
+ // is required to compute the derivative of the storage term
+ // using the implicit Euler method.
+ const ElementVolumeVariables &elemVolVars = usePrevSol ? this->prevVolVars_()
+ : this->curVolVars_();
+ const VolumeVariables &volVars = elemVolVars[scvIdx];
+
+ // compute storage term of all components within all phases
+ storage = 0;
+ if(useMoles) // mole-fraction formulation
+ {
+ for (unsigned int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ {
+ for (unsigned int compIdx = contiCompIdx1_(); compIdx <= contiCompIdx2_(); ++compIdx)
+ {
+ unsigned int eqIdx = (compIdx == wCompIdx) ? contiWEqIdx : contiNEqIdx;
+ storage[eqIdx] += volVars.molarDensity(phaseIdx)
+ * volVars.saturation(phaseIdx)
+ * volVars.moleFraction(phaseIdx, compIdx);
+ }
+ // this is only processed if one component mass balance equation
+ // is replaced by the total mass balance equation
+ if (replaceCompEqIdx < numComponents)
+ storage[replaceCompEqIdx] +=
+ volVars.molarDensity(phaseIdx)
+ * volVars.saturation(phaseIdx);
+ }
+ storage *= volVars.porosity();
+ }
+ else // mass-fraction formulation
+ {
+ for (unsigned int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ {
+ for (unsigned int compIdx = contiCompIdx1_(); compIdx <= contiCompIdx2_(); ++compIdx)
+ {
+ unsigned int eqIdx = (compIdx == wCompIdx) ? contiWEqIdx : contiNEqIdx;
+ storage[eqIdx] += volVars.density(phaseIdx)
+ * volVars.saturation(phaseIdx)
+ * volVars.massFraction(phaseIdx, compIdx);
+ }
+ // this is only processed if one component mass balance equation
+ // is replaced by the total mass balance equation
+ if (replaceCompEqIdx < numComponents)
+ storage[replaceCompEqIdx] +=
+ volVars.density(phaseIdx)
+ * volVars.saturation(phaseIdx);
+ }
+ storage *= volVars.porosity();
+ }
+ }
+
+ /*!
+ * \brief Evaluates the total flux of all conservation quantities
+ * over a face of a sub-control volume.
+ *
+ * \param flux The flux over the sub-control-volume face for each component
+ * \param fIdx The index of the sub-control-volume face
+ * \param onBoundary Evaluate flux at inner sub-control-volume face or on a boundary face
+ */
+ void computeFlux(PrimaryVariables &flux, const int fIdx, bool onBoundary=false) const
+ {
+ FluxVariables fluxVars(this->problem_(),
+ this->element_(),
+ this->fvGeometry_(),
+ fIdx,
+ this->curVolVars_(),
+ onBoundary);
+
+ flux = 0;
+ asImp_()->computeAdvectiveFlux(flux, fluxVars);
+ Valgrind::CheckDefined(flux);
+ asImp_()->computeDiffusiveFlux(flux, fluxVars);
+ Valgrind::CheckDefined(flux);
+ }
+
+ /*!
+ * \brief Evaluates the advective mass flux of all components over
+ * a face of a sub-control volume.
+ *
+ * \param flux The flux over the sub-control-volume face for each component
+ * \param fluxVars The flux variables at the current sub-control-volume face
+ */
+ void computeAdvectiveFlux(PrimaryVariables &flux, const FluxVariables &fluxVars) const
+ {
+ ////////
+ // advective fluxes of all components in all phases
+ ////////
+
+ if(useMoles) // mole-fraction formulation
+ {
+ for (unsigned int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ {
+ // data attached to upstream and the downstream vertices
+ // of the current phase
+ const VolumeVariables &up =
+ this->curVolVars_(fluxVars.upstreamIdx(phaseIdx));
+ const VolumeVariables &dn =
+ this->curVolVars_(fluxVars.downstreamIdx(phaseIdx));
+
+ for (unsigned int compIdx = contiCompIdx1_(); compIdx <= contiCompIdx2_(); ++compIdx)
+ {
+ unsigned int eqIdx = (compIdx == wCompIdx) ? contiWEqIdx : contiNEqIdx;
+ // add advective flux of current component in current
+ // phase
+ if (massUpwindWeight_ > 0.0)
+ // upstream vertex
+ flux[eqIdx] +=
+ fluxVars.volumeFlux(phaseIdx)
+ * massUpwindWeight_
+ * up.molarDensity(phaseIdx)
+ * up.moleFraction(phaseIdx, compIdx);
+ if (massUpwindWeight_ < 1.0)
+ // downstream vertex
+ flux[eqIdx] +=
+ fluxVars.volumeFlux(phaseIdx)
+ * (1 - massUpwindWeight_)
+ * dn.molarDensity(phaseIdx)
+ * dn.moleFraction(phaseIdx, compIdx);
+
+ Valgrind::CheckDefined(fluxVars.volumeFlux(phaseIdx));
+ Valgrind::CheckDefined(up.molarDensity(phaseIdx));
+ Valgrind::CheckDefined(up.moleFraction(phaseIdx, compIdx));
+ Valgrind::CheckDefined(dn.molarDensity(phaseIdx));
+ Valgrind::CheckDefined(dn.moleFraction(phaseIdx, compIdx));
+ }
+ // flux of the total mass balance;
+ // this is only processed if one component mass balance equation
+ // is replaced by a total mass balance equation
+ if (replaceCompEqIdx < numComponents)
+ {
+ // upstream vertex
+ if (massUpwindWeight_ > 0.0)
+ flux[replaceCompEqIdx] +=
+ fluxVars.volumeFlux(phaseIdx)
+ * massUpwindWeight_
+ * up.molarDensity(phaseIdx);
+ // downstream vertex
+ if (massUpwindWeight_ < 1.0)
+ flux[replaceCompEqIdx] +=
+ fluxVars.volumeFlux(phaseIdx)
+ * (1 - massUpwindWeight_)
+ * dn.molarDensity(phaseIdx);
+ Valgrind::CheckDefined(fluxVars.volumeFlux(phaseIdx));
+ Valgrind::CheckDefined(up.molarDensity(phaseIdx));
+ Valgrind::CheckDefined(dn.molarDensity(phaseIdx));
+
+ }
+
+ }
+ }
+ else // mass-fraction formulation
+ {
+ for (unsigned int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ {
+ // data attached to upstream and downstream vertices
+ // of the current phase
+ const VolumeVariables &up =
+ this->curVolVars_(fluxVars.upstreamIdx(phaseIdx));
+ const VolumeVariables &dn =
+ this->curVolVars_(fluxVars.downstreamIdx(phaseIdx));
+
+ for (unsigned int compIdx = contiCompIdx1_(); compIdx <= contiCompIdx2_(); ++compIdx)
+ {
+ unsigned int eqIdx = (compIdx == wCompIdx) ? contiWEqIdx : contiNEqIdx;
+ // add advective flux of current component in current
+ // phase
+ if (massUpwindWeight_ > 0.0)
+ // upstream vertex
+ flux[eqIdx] +=
+ fluxVars.volumeFlux(phaseIdx)
+ * massUpwindWeight_
+ * up.density(phaseIdx)
+ * up.massFraction(phaseIdx, compIdx);
+ if (massUpwindWeight_ < 1.0)
+ // downstream vertex
+ flux[eqIdx] +=
+ fluxVars.volumeFlux(phaseIdx)
+ * (1 - massUpwindWeight_)
+ * dn.density(phaseIdx)
+ * dn.massFraction(phaseIdx, compIdx);
+
+ Valgrind::CheckDefined(fluxVars.volumeFlux(phaseIdx));
+ Valgrind::CheckDefined(up.density(phaseIdx));
+ Valgrind::CheckDefined(up.massFraction(phaseIdx, compIdx));
+ Valgrind::CheckDefined(dn.density(phaseIdx));
+ Valgrind::CheckDefined(dn.massFraction(phaseIdx, compIdx));
+ }
+ // flux of the total mass balance;
+ // this is only processed if one component mass balance equation
+ // is replaced by a total mass balance equation
+ if (replaceCompEqIdx < numComponents)
+ {
+ // upstream vertex
+ if (massUpwindWeight_ > 0.0)
+ flux[replaceCompEqIdx] +=
+ fluxVars.volumeFlux(phaseIdx)
+ * massUpwindWeight_
+ * up.density(phaseIdx);
+ // downstream vertex
+ if (massUpwindWeight_ < 1.0)
+ flux[replaceCompEqIdx] +=
+ fluxVars.volumeFlux(phaseIdx)
+ * (1 - massUpwindWeight_)
+ * dn.density(phaseIdx);
+ Valgrind::CheckDefined(fluxVars.volumeFlux(phaseIdx));
+ Valgrind::CheckDefined(up.density(phaseIdx));
+ Valgrind::CheckDefined(dn.density(phaseIdx));
+
+ }
+
+ }
+ }
+ }
+
+ /*!
+ * \brief Evaluates the diffusive mass flux of all components over
+ * a face of a sub-control volume.
+ *
+ * \param flux The flux over the sub-control-volume face for each component
+ * \param fluxVars The flux variables at the current sub-control-volume face
+ */
+ void computeDiffusiveFlux(PrimaryVariables &flux, const FluxVariables &fluxVars) const
+
+ {
+ if(useMoles) // mole-fraction formulation
+ {
+ // add diffusive flux of gas component in liquid phase
+ Scalar tmp = - (fluxVars.moleFractionGrad(wPhaseIdx)*fluxVars.face().normal);
+ tmp *=
+ fluxVars.porousDiffCoeff(wPhaseIdx) *
+ fluxVars.molarDensity(wPhaseIdx);
+ // add the diffusive fluxes only to the component mass balance
+ if (replaceCompEqIdx != contiNEqIdx)
+ flux[contiNEqIdx] += tmp;
+ if (replaceCompEqIdx != contiWEqIdx)
+ flux[contiWEqIdx] -= tmp;
+
+ // add diffusive flux of liquid component in non-wetting phase
+ tmp = -(fluxVars.moleFractionGrad(nPhaseIdx)*fluxVars.face().normal);
+ tmp *=
+ fluxVars.porousDiffCoeff(nPhaseIdx) *
+ fluxVars.molarDensity(nPhaseIdx);
+ // add the diffusive fluxes only to the component mass balance
+ if (replaceCompEqIdx != contiWEqIdx)
+ flux[contiWEqIdx] += tmp;
+ if (replaceCompEqIdx != contiNEqIdx)
+ flux[contiNEqIdx] -= tmp;
+ }
+ else // mass-fraction formulation
+ {
+ // add diffusive flux of gas component in liquid phase
+ Scalar tmp = - (fluxVars.moleFractionGrad(wPhaseIdx)*fluxVars.face().normal);
+ tmp *=
+ fluxVars.porousDiffCoeff(wPhaseIdx) *
+ fluxVars.molarDensity(wPhaseIdx);
+ // add the diffusive fluxes only to the component mass balance
+ if (replaceCompEqIdx != contiNEqIdx)
+ flux[contiNEqIdx] += tmp * FluidSystem::molarMass(nCompIdx);
+ if (replaceCompEqIdx != contiWEqIdx)
+ flux[contiWEqIdx] -= tmp * FluidSystem::molarMass(wCompIdx);
+
+ // add diffusive flux of liquid component in non-wetting phase
+ tmp = -(fluxVars.moleFractionGrad(nPhaseIdx)*fluxVars.face().normal);
+ tmp *=
+ fluxVars.porousDiffCoeff(nPhaseIdx) *
+ fluxVars.molarDensity(nPhaseIdx);
+ // add the diffusive fluxes only to the component mass balance
+ if (replaceCompEqIdx != contiWEqIdx)
+ flux[contiWEqIdx] += tmp * FluidSystem::molarMass(wCompIdx);
+ if (replaceCompEqIdx != contiNEqIdx)
+ flux[contiNEqIdx] -= tmp * FluidSystem::molarMass(nCompIdx);
+ }
+ }
+
+ protected:
+ void evalPhaseStorage_(const int phaseIdx)
+ {
+ if(useMoles) // mole-fraction formulation
+ {
+ // evaluate the storage terms of a single phase
+ for (int i=0; i < this->fvGeometry_().numScv; i++) {
+ PrimaryVariables &storage = this->storageTerm_[i];
+ const ElementVolumeVariables &elemVolVars = this->curVolVars_();
+ const VolumeVariables &volVars = elemVolVars[i];
+
+ // compute storage term of all components within all phases
+ storage = 0;
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx)
+ {
+ int eqIdx = (compIdx == wCompIdx) ? contiWEqIdx : contiNEqIdx;
+ storage[eqIdx] += volVars.molarDensity(phaseIdx)
+ * volVars.saturation(phaseIdx)
+ * volVars.moleFraction(phaseIdx, compIdx);
+ }
+
+ storage *= volVars.porosity();
+ storage *= this->fvGeometry_().subContVol[i].volume;
+ }
+ }
+ else // mass-fraction formulation
+ {
+ // evaluate the storage terms of a single phase
+ for (int i=0; i < this->fvGeometry_().numScv; i++) {
+ PrimaryVariables &storage = this->storageTerm_[i];
+ const ElementVolumeVariables &elemVolVars = this->curVolVars_();
+ const VolumeVariables &volVars = elemVolVars[i];
+
+ // compute storage term of all components within all phases
+ storage = 0;
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx)
+ {
+ int eqIdx = (compIdx == wCompIdx) ? contiWEqIdx : contiNEqIdx;
+ storage[eqIdx] += volVars.density(phaseIdx)
+ * volVars.saturation(phaseIdx)
+ * volVars.massFraction(phaseIdx, compIdx);
+ }
+
+ storage *= volVars.porosity();
+ storage *= this->fvGeometry_().subContVol[i].volume;
+ }
+ }
+ }
+
+ /*!
+ * \brief Returns the equation index of the first mass-balance equation
+ * of the component (used for loops)
+ *
+ * Returns the equation index of the first mass-balance equation
+ * of the component (used for loops) if one component mass balance
+ * is replaced by the total mass balance, this is the index
+ * of the remaining component mass-balance equation.
+ */
+ unsigned int contiCompIdx1_() const {
+ switch (replaceCompEqIdx)
+ {
+ case contiWEqIdx: return contiNEqIdx;
+ case contiNEqIdx: return contiWEqIdx;
+ default: return 0;
+ }
+ }
+
+ /*!
+ * \brief Returns the equation index of the second mass balance
+ * of the component (used for loops)
+ *
+ * Returns the equation index of the second mass balance
+ * of the component (used for loops)
+ * if one component mass balance is replaced by the total mass balance
+ * (replaceCompEqIdx < 2), this index is the same as contiCompIdx1().
+ */
+ unsigned int contiCompIdx2_() const {
+ switch (replaceCompEqIdx)
+ {
+ case contiWEqIdx: return contiNEqIdx;
+ case contiNEqIdx: return contiWEqIdx;
+ default: return numComponents-1;
+ }
+ }
+
+ Implementation *asImp_()
+ { return static_cast<Implementation *> (this); }
+ const Implementation *asImp_() const
+ { return static_cast<const Implementation *> (this); }
+
+ private:
+ Scalar massUpwindWeight_;
+};
+
+} // end namespace
+
+#endif
diff --git a/dumux/porousmediumflow/2p2c/implicit/model.hh b/dumux/porousmediumflow/2p2c/implicit/model.hh
new file mode 100644
index 0000000000..d298e467b3
--- /dev/null
+++ b/dumux/porousmediumflow/2p2c/implicit/model.hh
@@ -0,0 +1,725 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ *
+ * \brief Adaption of the fully implicit scheme to the
+ * two-phase two-component fully implicit model.
+ */
+#ifndef DUMUX_2P2C_MODEL_HH
+#define DUMUX_2P2C_MODEL_HH
+
+#include "properties.hh"
+#include "indices.hh"
+#include <dumux/porousmediumflow/implicit/velocityoutput.hh>
+
+namespace Dumux
+{
+/*!
+ * \ingroup TwoPTwoCModel
+ * \brief Adaption of the fully implicit scheme to the
+ * two-phase two-component fully implicit model.
+ *
+ * This model implements two-phase two-component flow of two compressible and
+ * partially miscible fluids \f$\alpha \in \{ w, n \}\f$ composed of the two components
+ * \f$\kappa \in \{ w, a \}\f$. The standard multiphase Darcy
+ * approach is used as the equation for the conservation of momentum:
+ * \f[
+ v_\alpha = - \frac{k_{r\alpha}}{\mu_\alpha} \mathbf{K}
+ \left(\textbf{grad}\, p_\alpha - \varrho_{\alpha} \mbox{\bf g} \right)
+ * \f]
+ *
+ * By inserting this into the equations for the conservation of the
+ * components, one gets one transport equation for each component
+ * \f{eqnarray*}
+ && \phi \frac{\partial (\sum_\alpha \varrho_\alpha \frac{M^\kappa}{M_\alpha} x_\alpha^\kappa S_\alpha )}
+ {\partial t}
+ - \sum_\alpha \text{div} \left\{ \varrho_\alpha \frac{M^\kappa}{M_\alpha} x_\alpha^\kappa
+ \frac{k_{r\alpha}}{\mu_\alpha} \mathbf{K}
+ (\textbf{grad}\, p_\alpha - \varrho_{\alpha} \mbox{\bf g}) \right\}
+ \nonumber \\ \nonumber \\
+ &-& \sum_\alpha \text{div} \left\{ D_{\alpha,\text{pm}}^\kappa \varrho_{\alpha} \frac{M^\kappa}{M_\alpha}
+ \textbf{grad} x^\kappa_{\alpha} \right\}
+ - \sum_\alpha q_\alpha^\kappa = 0 \qquad \kappa \in \{w, a\} \, ,
+ \alpha \in \{w, g\}
+ \f}
+ *
+ * All equations are discretized using a vertex-centered finite volume (box)
+ * or cell-centered finite volume scheme as spatial
+ * and the implicit Euler method as time discretization.
+ *
+ * By using constitutive relations for the capillary pressure \f$p_c =
+ * p_n - p_w\f$ and relative permeability \f$k_{r\alpha}\f$ and taking
+ * advantage of the fact that \f$S_w + S_n = 1\f$ and \f$x^\kappa_w + x^\kappa_n = 1\f$, the number of
+ * unknowns can be reduced to two.
+ * The used primary variables are, like in the two-phase model, either \f$p_w\f$ and \f$S_n\f$
+ * or \f$p_n\f$ and \f$S_w\f$. The formulation which ought to be used can be
+ * specified by setting the <tt>Formulation</tt> property to either
+ * TwoPTwoCIndices::pWsN or TwoPTwoCIndices::pNsW. By
+ * default, the model uses \f$p_w\f$ and \f$S_n\f$.
+ * Moreover, the second primary variable depends on the phase state, since a
+ * primary variable switch is included. The phase state is stored for all nodes
+ * of the system.
+ * The model is able to use either mole or mass fractions. The property useMoles can be set to either true or false in the
+ * problem file. Make sure that the according units are used in the problem setup. useMoles is set to true by default.
+ * Following cases can be distinguished:
+ * <ul>
+ * <li> Both phases are present: The saturation is used (either \f$S_n\f$ or \f$S_w\f$, dependent on the chosen <tt>Formulation</tt>),
+ * as long as \f$ 0 < S_\alpha < 1\f$</li>.
+ * <li> Only wetting phase is present: The mole fraction of, e.g., air in the wetting phase \f$x^a_w\f$ is used,
+ * as long as the maximum mole fraction is not exceeded \f$(x^a_w<x^a_{w,max})\f$</li>
+ * <li> Only non-wetting phase is present: The mole fraction of, e.g., water in the non-wetting phase, \f$x^w_n\f$, is used,
+ * as long as the maximum mole fraction is not exceeded \f$(x^w_n<x^w_{n,max})\f$</li>
+ * </ul>
+ */
+
+template<class TypeTag>
+class TwoPTwoCModel: public GET_PROP_TYPE(TypeTag, BaseModel)
+{
+ typedef typename GET_PROP_TYPE(TypeTag, BaseModel) ParentType;
+
+ typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+ typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
+ typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, SolutionVector) SolutionVector;
+ enum {
+ numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
+ numComponents = GET_PROP_VALUE(TypeTag, NumComponents)
+ };
+
+ typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
+ enum {
+ switchIdx = Indices::switchIdx,
+
+ wPhaseIdx = Indices::wPhaseIdx,
+ nPhaseIdx = Indices::nPhaseIdx,
+ wCompIdx = Indices::wCompIdx,
+ nCompIdx = Indices::nCompIdx,
+
+ wPhaseOnly = Indices::wPhaseOnly,
+ nPhaseOnly = Indices::nPhaseOnly,
+ bothPhases = Indices::bothPhases,
+
+ pwsn = TwoPTwoCFormulation::pwsn,
+ pnsw = TwoPTwoCFormulation::pnsw,
+ formulation = GET_PROP_VALUE(TypeTag, Formulation)
+ };
+
+ typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
+ enum {
+ dim = GridView::dimension,
+ dimWorld = GridView::dimensionworld
+ };
+
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef Dune::FieldVector<Scalar, dimWorld> GlobalPosition;
+ static const bool useMoles = GET_PROP_VALUE(TypeTag, UseMoles);
+
+ enum { isBox = GET_PROP_VALUE(TypeTag, ImplicitIsBox) };
+ enum { dofCodim = isBox ? dim : 0 };
+
+public:
+ /*!
+ * \brief Initialize the static data with the initial solution.
+ *
+ * \param problem The problem to be solved
+ */
+ void init(Problem &problem)
+ {
+ ParentType::init(problem);
+
+ unsigned numDofs = this->numDofs();
+
+ staticDat_.resize(numDofs);
+
+ setSwitched_(false);
+
+ // check, if velocity output can be used (works only for cubes so far)
+ for (const auto& element : Dune::elements(this->gridView_()))
+ {
+ if (!isBox) // i.e. cell-centered discretization
+ {
+ int eIdxGlobal = this->dofMapper().index(element);
+ const GlobalPosition &globalPos = element.geometry().center();
+
+ // initialize phase presence
+ staticDat_[eIdxGlobal].phasePresence
+ = this->problem_().initialPhasePresence(*(this->gridView_().template begin<dim>()),
+ eIdxGlobal, globalPos);
+ staticDat_[eIdxGlobal].wasSwitched = false;
+
+ staticDat_[eIdxGlobal].oldPhasePresence
+ = staticDat_[eIdxGlobal].phasePresence;
+ }
+ }
+
+ if (isBox) // i.e. vertex-centered discretization
+ {
+ for (const auto& vertex : Dune::vertices(this->gridView_()))
+ {
+ int vIdxGlobal = this->dofMapper().index(vertex);
+ const GlobalPosition &globalPos = vertex.geometry().corner(0);
+
+ // initialize phase presence
+ staticDat_[vIdxGlobal].phasePresence
+ = this->problem_().initialPhasePresence(vertex, vIdxGlobal,
+ globalPos);
+ staticDat_[vIdxGlobal].wasSwitched = false;
+
+ staticDat_[vIdxGlobal].oldPhasePresence
+ = staticDat_[vIdxGlobal].phasePresence;
+ }
+ }
+ }
+
+ /*!
+ * \brief Compute the total storage of all conservation quantities in one phase
+ *
+ * \param storage Contains the storage of each component in one phase
+ * \param phaseIdx The phase index
+ */
+ void globalPhaseStorage(PrimaryVariables &storage, const int phaseIdx)
+ {
+ storage = 0;
+
+ for (const auto& element : Dune::elements(this->gridView_())) {
+ if(element.partitionType() == Dune::InteriorEntity)
+ {
+
+
+ this->localResidual().evalPhaseStorage(element, phaseIdx);
+
+ for (unsigned int i = 0; i < this->localResidual().storageTerm().size(); ++i)
+ storage += this->localResidual().storageTerm()[i];
+ }
+ }
+ if (this->gridView_().comm().size() > 1)
+ storage = this->gridView_().comm().sum(storage);
+ }
+
+ /*!
+ * \brief Called by the update() method if applying the Newton
+ * method was unsuccessful.
+ */
+ void updateFailed()
+ {
+ ParentType::updateFailed();
+
+ setSwitched_(false);
+ resetPhasePresence_();
+ }
+
+ /*!
+ * \brief Called by the problem if a time integration was
+ * successful, post processing of the solution is done and the
+ * result has been written to disk.
+ *
+ * This should prepare the model for the next time integration.
+ */
+ void advanceTimeLevel()
+ {
+ ParentType::advanceTimeLevel();
+
+ // update the phase state
+ updateOldPhasePresence_();
+ setSwitched_(false);
+ }
+
+ /*!
+ * \brief Returns true if the primary variables were switched for
+ * at least one vertex after the last timestep.
+ */
+ bool switched() const
+ {
+ return switchFlag_;
+ }
+
+ /*!
+ * \brief Returns the phase presence of the current or the old solution of a degree of freedom.
+ *
+ * \param dofIdxGlobal The global index of the degree of freedom
+ * \param oldSol Based on oldSol current or previous time step is used
+ */
+ int phasePresence(int dofIdxGlobal, bool oldSol) const
+ {
+ return oldSol ? staticDat_[dofIdxGlobal].oldPhasePresence
+ : staticDat_[dofIdxGlobal].phasePresence;
+ }
+
+ /*!
+ * \brief Append all quantities of interest which can be derived
+ * from the solution of the current time step to the VTK
+ * writer.
+ *
+ * \param sol The solution vector
+ * \param writer The writer for multi-file VTK datasets
+ */
+ template<class MultiWriter>
+ void addOutputVtkFields(const SolutionVector &sol,
+ MultiWriter &writer)
+ {
+ typedef Dune::BlockVector<Dune::FieldVector<double, 1> > ScalarField;
+ typedef Dune::BlockVector<Dune::FieldVector<double, dimWorld> > VectorField;
+
+ // get the number of degrees of freedom
+ unsigned numDofs = this->numDofs();
+
+ // create the required scalar fields
+ ScalarField *sN = writer.allocateManagedBuffer(numDofs);
+ ScalarField *sW = writer.allocateManagedBuffer(numDofs);
+ ScalarField *pn = writer.allocateManagedBuffer(numDofs);
+ ScalarField *pw = writer.allocateManagedBuffer(numDofs);
+ ScalarField *pc = writer.allocateManagedBuffer(numDofs);
+ ScalarField *rhoW = writer.allocateManagedBuffer(numDofs);
+ ScalarField *rhoN = writer.allocateManagedBuffer(numDofs);
+ ScalarField *mobW = writer.allocateManagedBuffer(numDofs);
+ ScalarField *mobN = writer.allocateManagedBuffer(numDofs);
+ ScalarField *phasePresence = writer.allocateManagedBuffer(numDofs);
+ ScalarField *massFrac[numPhases][numComponents];
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx)
+ massFrac[phaseIdx][compIdx] = writer.allocateManagedBuffer(numDofs);
+ ScalarField *moleFrac[numPhases][numComponents];
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx)
+ moleFrac[phaseIdx][compIdx] = writer.allocateManagedBuffer(numDofs);
+ ScalarField *temperature = writer.allocateManagedBuffer(numDofs);
+ ScalarField *poro = writer.allocateManagedBuffer(numDofs);
+ VectorField *velocityN = writer.template allocateManagedBuffer<double, dimWorld>(numDofs);
+ VectorField *velocityW = writer.template allocateManagedBuffer<double, dimWorld>(numDofs);
+ ImplicitVelocityOutput<TypeTag> velocityOutput(this->problem_());
+
+ if (velocityOutput.enableOutput()) // check if velocity output is demanded
+ {
+ // initialize velocity fields
+ for (unsigned int i = 0; i < numDofs; ++i)
+ {
+ (*velocityN)[i] = Scalar(0);
+ (*velocityW)[i] = Scalar(0);
+ }
+ }
+
+ unsigned numElements = this->gridView_().size(0);
+ ScalarField *rank = writer.allocateManagedBuffer(numElements);
+
+ for (const auto& element : Dune::elements(this->gridView_()))
+ {
+ if(element.partitionType() == Dune::InteriorEntity)
+ {
+ int eIdx = this->elementMapper().index(element);
+ (*rank)[eIdx] = this->gridView_().comm().rank();
+
+ FVElementGeometry fvGeometry;
+ fvGeometry.update(this->gridView_(), element);
+
+ ElementVolumeVariables elemVolVars;
+ elemVolVars.update(this->problem_(),
+ element,
+ fvGeometry,
+ false /* oldSol? */);
+
+ for (int scvIdx = 0; scvIdx < fvGeometry.numScv; ++scvIdx)
+ {
+ int dofIdxGlobal = this->dofMapper().subIndex(element, scvIdx, dofCodim);
+
+ (*sN)[dofIdxGlobal] = elemVolVars[scvIdx].saturation(nPhaseIdx);
+ (*sW)[dofIdxGlobal] = elemVolVars[scvIdx].saturation(wPhaseIdx);
+ (*pn)[dofIdxGlobal] = elemVolVars[scvIdx].pressure(nPhaseIdx);
+ (*pw)[dofIdxGlobal] = elemVolVars[scvIdx].pressure(wPhaseIdx);
+ (*pc)[dofIdxGlobal] = elemVolVars[scvIdx].capillaryPressure();
+ (*rhoW)[dofIdxGlobal] = elemVolVars[scvIdx].density(wPhaseIdx);
+ (*rhoN)[dofIdxGlobal] = elemVolVars[scvIdx].density(nPhaseIdx);
+ (*mobW)[dofIdxGlobal] = elemVolVars[scvIdx].mobility(wPhaseIdx);
+ (*mobN)[dofIdxGlobal] = elemVolVars[scvIdx].mobility(nPhaseIdx);
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx)
+ {
+ (*massFrac[phaseIdx][compIdx])[dofIdxGlobal]
+ = elemVolVars[scvIdx].massFraction(phaseIdx, compIdx);
+
+ Valgrind::CheckDefined((*massFrac[phaseIdx][compIdx])[dofIdxGlobal][0]);
+ }
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx)
+ {
+ (*moleFrac[phaseIdx][compIdx])[dofIdxGlobal]
+ = elemVolVars[scvIdx].moleFraction(phaseIdx, compIdx);
+
+ Valgrind::CheckDefined((*moleFrac[phaseIdx][compIdx])[dofIdxGlobal][0]);
+ }
+ (*poro)[dofIdxGlobal] = elemVolVars[scvIdx].porosity();
+ (*temperature)[dofIdxGlobal] = elemVolVars[scvIdx].temperature();
+ (*phasePresence)[dofIdxGlobal]
+ = staticDat_[dofIdxGlobal].phasePresence;
+ }
+
+ // velocity output
+ velocityOutput.calculateVelocity(*velocityW, elemVolVars, fvGeometry, element, wPhaseIdx);
+ velocityOutput.calculateVelocity(*velocityN, elemVolVars, fvGeometry, element, nPhaseIdx);
+ }
+
+ } // loop over elements
+
+ writer.attachDofData(*sN, "Sn", isBox);
+ writer.attachDofData(*sW, "Sw", isBox);
+ writer.attachDofData(*pn, "pn", isBox);
+ writer.attachDofData(*pw, "pw", isBox);
+ writer.attachDofData(*pc, "pc", isBox);
+ writer.attachDofData(*rhoW, "rhoW", isBox);
+ writer.attachDofData(*rhoN, "rhoN", isBox);
+ writer.attachDofData(*mobW, "mobW", isBox);
+ writer.attachDofData(*mobN, "mobN", isBox);
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ {
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx)
+ {
+ std::ostringstream oss;
+ oss << "X_" << FluidSystem::phaseName(phaseIdx) << "^" << FluidSystem::componentName(compIdx);
+ writer.attachDofData(*massFrac[phaseIdx][compIdx], oss.str(), isBox);
+ }
+ }
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ {
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx)
+ {
+ std::ostringstream oss;
+ oss << "x_" << FluidSystem::phaseName(phaseIdx) << "^" << FluidSystem::componentName(compIdx);
+ writer.attachDofData(*moleFrac[phaseIdx][compIdx], oss.str(), isBox);
+ }
+ }
+ writer.attachDofData(*poro, "porosity", isBox);
+ writer.attachDofData(*temperature, "temperature", isBox);
+ writer.attachDofData(*phasePresence, "phase presence", isBox);
+
+ if (velocityOutput.enableOutput()) // check if velocity output is demanded
+ {
+ writer.attachDofData(*velocityW, "velocityW", isBox, dim);
+ writer.attachDofData(*velocityN, "velocityN", isBox, dim);
+ }
+
+ writer.attachCellData(*rank, "process rank");
+ }
+
+ /*!
+ * \brief Write the current solution to a restart file.
+ *
+ * \param outStream The output stream of one vertex for the restart file
+ * \param entity The entity, either a vertex or an element
+ */
+ template<class Entity>
+ void serializeEntity(std::ostream &outStream, const Entity &entity)
+ {
+ // write primary variables
+ ParentType::serializeEntity(outStream, entity);
+
+ int dofIdxGlobal = this->dofMapper().index(entity);
+
+ if (!outStream.good())
+ DUNE_THROW(Dune::IOError, "Could not serialize entity " << dofIdxGlobal);
+
+ outStream << staticDat_[dofIdxGlobal].phasePresence << " ";
+ }
+
+ /*!
+ * \brief Reads the current solution from a restart file.
+ *
+ * \param inStream The input stream of one vertex from the restart file
+ * \param entity The entity, either a vertex or an element
+ */
+ template<class Entity>
+ void deserializeEntity(std::istream &inStream, const Entity &entity)
+ {
+ // read primary variables
+ ParentType::deserializeEntity(inStream, entity);
+
+ // read phase presence
+ int dofIdxGlobal = this->dofMapper().index(entity);
+
+ if (!inStream.good())
+ DUNE_THROW(Dune::IOError,
+ "Could not deserialize entity " << dofIdxGlobal);
+
+ inStream >> staticDat_[dofIdxGlobal].phasePresence;
+ staticDat_[dofIdxGlobal].oldPhasePresence
+ = staticDat_[dofIdxGlobal].phasePresence;
+
+ }
+
+ /*!
+ * \brief Update the static data of all vertices in the grid.
+ *
+ * \param curGlobalSol The current global solution
+ * \param oldGlobalSol The previous global solution
+ */
+ void updateStaticData(SolutionVector &curGlobalSol,
+ const SolutionVector &oldGlobalSol)
+ {
+ bool wasSwitched = false;
+ int succeeded;
+ try {
+ for (unsigned i = 0; i < staticDat_.size(); ++i)
+ staticDat_[i].visited = false;
+
+ FVElementGeometry fvGeometry;
+ static VolumeVariables volVars;
+ for (const auto& element : Dune::elements(this->gridView_()))
+ {
+ fvGeometry.update(this->gridView_(), element);
+ for (int scvIdx = 0; scvIdx < fvGeometry.numScv; ++scvIdx)
+ {
+ int dofIdxGlobal = this->dofMapper().subIndex(element, scvIdx, dofCodim);
+
+ if (staticDat_[dofIdxGlobal].visited)
+ continue;
+
+ staticDat_[dofIdxGlobal].visited = true;
+ volVars.update(curGlobalSol[dofIdxGlobal],
+ this->problem_(),
+ element,
+ fvGeometry,
+ scvIdx,
+ false);
+ const GlobalPosition &globalPos = fvGeometry.subContVol[scvIdx].global;
+ if (primaryVarSwitch_(curGlobalSol,
+ volVars,
+ dofIdxGlobal,
+ globalPos))
+ {
+ this->jacobianAssembler().markDofRed(dofIdxGlobal);
+ wasSwitched = true;
+ }
+ }
+ }
+ succeeded = 1;
+ }
+ catch (Dumux::NumericalProblem &e)
+ {
+ std::cout << "\n"
+ << "Rank " << this->problem_().gridView().comm().rank()
+ << " caught an exception while updating the static data." << e.what()
+ << "\n";
+ succeeded = 0;
+ }
+ //make sure that all processes succeeded. If not throw a NumericalProblem to decrease the time step size.
+ if (this->gridView_().comm().size() > 1)
+ succeeded = this->gridView_().comm().min(succeeded);
+
+ if (!succeeded) {
+ DUNE_THROW(NumericalProblem,
+ "A process did not succeed in updating the static data.");
+ return;
+ }
+
+ // make sure that if there was a variable switch in an
+ // other partition we will also set the switch flag
+ // for our partition.
+ if (this->gridView_().comm().size() > 1)
+ wasSwitched = this->gridView_().comm().max(wasSwitched);
+
+ setSwitched_(wasSwitched);
+ }
+
+ protected:
+ /*!
+ * \brief Data which is attached to each vertex and is not only
+ * stored locally.
+ */
+ struct StaticVars
+ {
+ int phasePresence;
+ bool wasSwitched;
+
+ int oldPhasePresence;
+ bool visited;
+ };
+
+ /*!
+ * \brief Resets the current phase presence of all vertices to the old one.
+ *
+ * This is done after an update failed.
+ */
+ void resetPhasePresence_()
+ {
+ for (unsigned int idx = 0; idx < staticDat_.size(); ++idx)
+ {
+ staticDat_[idx].phasePresence
+ = staticDat_[idx].oldPhasePresence;
+ staticDat_[idx].wasSwitched = false;
+ }
+ }
+
+ /*!
+ * \brief Sets the phase presence of all vertices state to the current one.
+ */
+ void updateOldPhasePresence_()
+ {
+ for (unsigned int idx = 0; idx < staticDat_.size(); ++idx)
+ {
+ staticDat_[idx].oldPhasePresence
+ = staticDat_[idx].phasePresence;
+ staticDat_[idx].wasSwitched = false;
+ }
+ }
+
+ /*!
+ * \brief Sets whether there was a primary variable switch after
+ * the last timestep.
+ */
+ void setSwitched_(bool yesno)
+ {
+ switchFlag_ = yesno;
+ }
+
+ /*!
+ * \brief Performs variable switch at a vertex, returns true if a
+ * variable switch was performed.
+ */
+ bool primaryVarSwitch_(SolutionVector &globalSol,
+ const VolumeVariables &volVars,
+ int dofIdxGlobal,
+ const GlobalPosition &globalPos)
+ {
+ // evaluate primary variable switch
+ bool wouldSwitch = false;
+ int phasePresence = staticDat_[dofIdxGlobal].phasePresence;
+ int newPhasePresence = phasePresence;
+
+ // check if a primary var switch is necessary
+ if (phasePresence == nPhaseOnly)
+ {
+ // calculate mole fraction in the hypothetic wetting phase
+ Scalar xww = volVars.moleFraction(wPhaseIdx, wCompIdx);
+ Scalar xwn = volVars.moleFraction(wPhaseIdx, nCompIdx);
+
+ Scalar xwMax = 1.0;
+ if (xww + xwn > xwMax)
+ wouldSwitch = true;
+ if (staticDat_[dofIdxGlobal].wasSwitched)
+ xwMax *= 1.02;
+
+ // if the sum of the mole fractions is larger than
+ // 100%, wetting phase appears
+ if (xww + xwn > xwMax)
+ {
+ // wetting phase appears
+ std::cout << "wetting phase appears at vertex " << dofIdxGlobal
+ << ", coordinates: " << globalPos << ", xww + xwn: "
+ << xww + xwn << std::endl;
+ newPhasePresence = bothPhases;
+ if (formulation == pnsw)
+ globalSol[dofIdxGlobal][switchIdx] = 0.0;
+ else if (formulation == pwsn)
+ globalSol[dofIdxGlobal][switchIdx] = 1.0;
+ }
+ }
+ else if (phasePresence == wPhaseOnly)
+ {
+ // calculate fractions of the partial pressures in the
+ // hypothetic nonwetting phase
+ Scalar xnw = volVars.moleFraction(nPhaseIdx, wCompIdx);
+ Scalar xnn = volVars.moleFraction(nPhaseIdx, nCompIdx);
+
+ Scalar xgMax = 1.0;
+ if (xnw + xnn > xgMax)
+ wouldSwitch = true;
+ if (staticDat_[dofIdxGlobal].wasSwitched)
+ xgMax *= 1.02;
+
+ // if the sum of the mole fractions is larger than
+ // 100%, nonwetting phase appears
+ if (xnw + xnn > xgMax)
+ {
+ // nonwetting phase appears
+ std::cout << "nonwetting phase appears at vertex " << dofIdxGlobal
+ << ", coordinates: " << globalPos << ", xnw + xnn: "
+ << xnw + xnn << std::endl;
+ newPhasePresence = bothPhases;
+ if (formulation == pnsw)
+ globalSol[dofIdxGlobal][switchIdx] = 0.999;
+ else if (formulation == pwsn)
+ globalSol[dofIdxGlobal][switchIdx] = 0.001;
+ }
+ }
+ else if (phasePresence == bothPhases)
+ {
+ Scalar Smin = 0.0;
+ if (staticDat_[dofIdxGlobal].wasSwitched)
+ Smin = -0.01;
+
+ if (volVars.saturation(nPhaseIdx) <= Smin)
+ {
+ wouldSwitch = true;
+ // nonwetting phase disappears
+ std::cout << "Nonwetting phase disappears at vertex " << dofIdxGlobal
+ << ", coordinates: " << globalPos << ", sn: "
+ << volVars.saturation(nPhaseIdx) << std::endl;
+ newPhasePresence = wPhaseOnly;
+
+ if(useMoles) // mole-fraction formulation
+ {
+ globalSol[dofIdxGlobal][switchIdx]
+ = volVars.moleFraction(wPhaseIdx, nCompIdx);
+ }
+ else // mass-fraction formulation
+ {
+ globalSol[dofIdxGlobal][switchIdx]
+ = volVars.massFraction(wPhaseIdx, nCompIdx);
+ }
+ }
+ else if (volVars.saturation(wPhaseIdx) <= Smin)
+ {
+ wouldSwitch = true;
+ // wetting phase disappears
+ std::cout << "Wetting phase disappears at vertex " << dofIdxGlobal
+ << ", coordinates: " << globalPos << ", sw: "
+ << volVars.saturation(wPhaseIdx) << std::endl;
+ newPhasePresence = nPhaseOnly;
+
+ if(useMoles) // mole-fraction formulation
+ {
+ globalSol[dofIdxGlobal][switchIdx]
+ = volVars.moleFraction(nPhaseIdx, wCompIdx);
+ }
+ else // mass-fraction formulation
+ {
+ globalSol[dofIdxGlobal][switchIdx]
+ = volVars.massFraction(nPhaseIdx, wCompIdx);
+ }
+ }
+ }
+
+ staticDat_[dofIdxGlobal].phasePresence = newPhasePresence;
+ staticDat_[dofIdxGlobal].wasSwitched = wouldSwitch;
+ return phasePresence != newPhasePresence;
+ }
+
+protected:
+ // parameters given in constructor
+ std::vector<StaticVars> staticDat_;
+ bool switchFlag_;
+};
+
+}
+
+#include "propertydefaults.hh"
+
+#endif
diff --git a/dumux/porousmediumflow/2p2c/implicit/newtoncontroller.hh b/dumux/porousmediumflow/2p2c/implicit/newtoncontroller.hh
new file mode 100644
index 0000000000..db9579b3c2
--- /dev/null
+++ b/dumux/porousmediumflow/2p2c/implicit/newtoncontroller.hh
@@ -0,0 +1,104 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ * \brief A two-phase two-component specific controller for the Newton solver.
+ */
+#ifndef DUMUX_2P2C_NEWTON_CONTROLLER_HH
+#define DUMUX_2P2C_NEWTON_CONTROLLER_HH
+
+#include "properties.hh"
+
+#include <dumux/nonlinear/newtoncontroller.hh>
+
+namespace Dumux {
+
+/*!
+ * \ingroup Newton
+ * \ingroup TwoPTwoCModel
+ * \brief A two-phase two-component specific controller for the Newton solver.
+ *
+ * This controller 'knows' what a 'physically meaningful' solution is
+ * which allows the Newton method to abort earlier if the solution is
+ * way out of bounds.
+ */
+template <class TypeTag>
+class TwoPTwoCNewtonController : public NewtonController<TypeTag>
+{
+ typedef NewtonController<TypeTag> ParentType;
+ typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
+ typedef typename GET_PROP_TYPE(TypeTag, SolutionVector) SolutionVector;
+
+public:
+ TwoPTwoCNewtonController(const Problem &problem)
+ : ParentType(problem)
+ {}
+
+ /*!
+ * \brief Suggest a new time step size based either on the number of Newton
+ * iterations required or on the variable switch
+ *
+ * \param uCurrentIter The current global solution vector
+ * \param uLastIter The previous global solution vector
+ *
+ */
+ void newtonEndStep(SolutionVector &uCurrentIter,
+ const SolutionVector &uLastIter)
+ {
+ int succeeded;
+ try {
+ // call the method of the base class
+ this->method().model().updateStaticData(uCurrentIter, uLastIter);
+ ParentType::newtonEndStep(uCurrentIter, uLastIter);
+
+ succeeded = 1;
+ if (this->gridView_().comm().size() > 1)
+ succeeded = this->gridView_().comm().min(succeeded);
+ }
+ catch (Dumux::NumericalProblem &e)
+ {
+ std::cout << "rank " << this->problem_().gridView().comm().rank()
+ << " caught an exception while updating:" << e.what()
+ << "\n";
+ succeeded = 0;
+ if (this->gridView_().comm().size() > 1)
+ succeeded = this->gridView_().comm().min(succeeded);
+ }
+
+ if (!succeeded) {
+ DUNE_THROW(NumericalProblem,
+ "A process did not succeed in linearizing the system");
+ }
+ }
+
+ /*!
+ * \brief Returns true if the current solution can be considered to
+ * be accurate enough
+ */
+ bool newtonConverged()
+ {
+ if (this->method().model().switched())
+ return false;
+
+ return ParentType::newtonConverged();
+ }
+};
+}
+
+#endif
diff --git a/dumux/porousmediumflow/2p2c/implicit/properties.hh b/dumux/porousmediumflow/2p2c/implicit/properties.hh
new file mode 100644
index 0000000000..3f8da55d76
--- /dev/null
+++ b/dumux/porousmediumflow/2p2c/implicit/properties.hh
@@ -0,0 +1,85 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \ingroup Properties
+ * \ingroup ImplicitProperties
+ * \ingroup TwoPTwoCModel
+ *
+ * \file
+ *
+ * \brief Defines the properties required for the two-phase two-component
+ * fully implicit model.
+ */
+#ifndef DUMUX_2P2C_PROPERTIES_HH
+#define DUMUX_2P2C_PROPERTIES_HH
+
+#include <dumux/implicit/box/properties.hh>
+#include <dumux/implicit/cellcentered/properties.hh>
+#include <dumux/porousmediumflow/nonisothermal/implicit/properties.hh>
+
+namespace Dumux
+{
+
+namespace Properties
+{
+//////////////////////////////////////////////////////////////////
+// Type tags
+//////////////////////////////////////////////////////////////////
+
+//! The type tags for the implicit isothermal two-phase two-component problems
+NEW_TYPE_TAG(TwoPTwoC);
+NEW_TYPE_TAG(BoxTwoPTwoC, INHERITS_FROM(BoxModel, TwoPTwoC));
+NEW_TYPE_TAG(CCTwoPTwoC, INHERITS_FROM(CCModel, TwoPTwoC));
+
+//! The type tags for the corresponding non-isothermal problems
+NEW_TYPE_TAG(TwoPTwoCNI, INHERITS_FROM(TwoPTwoC, NonIsothermal));
+NEW_TYPE_TAG(BoxTwoPTwoCNI, INHERITS_FROM(BoxModel, TwoPTwoCNI));
+NEW_TYPE_TAG(CCTwoPTwoCNI, INHERITS_FROM(CCModel, TwoPTwoCNI));
+
+//////////////////////////////////////////////////////////////////
+// Property tags
+//////////////////////////////////////////////////////////////////
+
+NEW_PROP_TAG(NumPhases); //!< Number of fluid phases in the system
+NEW_PROP_TAG(NumComponents); //!< Number of fluid components in the system
+NEW_PROP_TAG(Indices); //!< Enumerations for the model
+NEW_PROP_TAG(Formulation); //!< The formulation of the model
+NEW_PROP_TAG(SpatialParams); //!< The type of the spatial parameters
+NEW_PROP_TAG(FluidSystem); //!< The type of the multi-component relations
+NEW_PROP_TAG(FluidState); //!< The type of the 2p2c fluid state
+
+NEW_PROP_TAG(MaterialLaw); //!< The material law which ought to be used (extracted from the spatial parameters)
+NEW_PROP_TAG(MaterialLawParams); //!< The parameters of the material law (extracted from the spatial parameters)
+NEW_PROP_TAG(EffectiveDiffusivityModel); //!< The employed model for the computation of the effective diffusivity
+
+NEW_PROP_TAG(ProblemEnableGravity); //!< Returns whether gravity is considered in the problem
+NEW_PROP_TAG(UseMoles); //!< Defines whether mole (true) or mass (false) fractions are used
+NEW_PROP_TAG(UseConstraintSolver); //!< Determines whether the constraint solver should be used
+
+NEW_PROP_TAG(ImplicitMassUpwindWeight); //!< The value of the upwind weight for the mass conservation equations
+NEW_PROP_TAG(ImplicitMobilityUpwindWeight); //!< Weight for the upwind mobility in the velocity calculation
+NEW_PROP_TAG(ReplaceCompEqIdx); //!< The index of the total mass balance equation,
+ //!< if one component balance is replaced (ReplaceCompEqIdx < NumComponents)
+NEW_PROP_TAG(VtkAddVelocity); //!< Returns whether velocity vectors are written into the VTK output
+NEW_PROP_TAG(BaseFluxVariables); //!< The base flux variables
+NEW_PROP_TAG(SpatialParamsForchCoeff); //!< Property for the forchheimer coefficient
+}
+}
+
+#endif
diff --git a/dumux/porousmediumflow/2p2c/implicit/propertydefaults.hh b/dumux/porousmediumflow/2p2c/implicit/propertydefaults.hh
new file mode 100644
index 0000000000..04d0b6203a
--- /dev/null
+++ b/dumux/porousmediumflow/2p2c/implicit/propertydefaults.hh
@@ -0,0 +1,232 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \ingroup Properties
+ * \ingroup ImplicitProperties
+ * \ingroup TwoPTwoCModel
+ * \file
+ *
+ * \brief Defines default values for most properties required by the
+ * two-phase two-component fully implicit model.
+ */
+#ifndef DUMUX_2P2C_PROPERTY_DEFAULTS_HH
+#define DUMUX_2P2C_PROPERTY_DEFAULTS_HH
+
+#include "properties.hh"
+#include "model.hh"
+#include "indices.hh"
+#include "fluxvariables.hh"
+#include "volumevariables.hh"
+#include "localresidual.hh"
+#include "newtoncontroller.hh"
+
+#include <dumux/porousmediumflow/nonisothermal/implicit/propertydefaults.hh>
+#include <dumux/material/fluidmatrixinteractions/diffusivitymillingtonquirk.hh>
+#include <dumux/porousmediumflow/implicit/darcyfluxvariables.hh>
+#include <dumux/material/spatialparams/implicitspatialparams.hh>
+#include <dumux/material/fluidmatrixinteractions/2p/thermalconductivitysomerton.hh>
+
+namespace Dumux
+{
+
+namespace Properties {
+//////////////////////////////////////////////////////////////////
+// Property values
+//////////////////////////////////////////////////////////////////
+
+/*!
+ * \brief Set the property for the number of components.
+ *
+ * We just forward the number from the fluid system and use a static
+ * assert to make sure it is 2.
+ */
+SET_PROP(TwoPTwoC, NumComponents)
+{
+ private:
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+
+ public:
+ static const int value = FluidSystem::numComponents;
+
+ static_assert(value == 2,
+ "Only fluid systems with 2 components are supported by the 2p-2c model!");
+};
+
+/*!
+ * \brief Set the property for the number of fluid phases.
+ *
+ * We just forward the number from the fluid system and use a static
+ * assert to make sure it is 2.
+ */
+SET_PROP(TwoPTwoC, NumPhases)
+{
+ private:
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+
+ public:
+ static const int value = FluidSystem::numPhases;
+ static_assert(value == 2,
+ "Only fluid systems with 2 phases are supported by the 2p-2c model!");
+};
+
+/*!
+ * \brief The fluid state which is used by the volume variables to
+ * store the thermodynamic state. This should be chosen
+ * appropriately for the model ((non-)isothermal, equilibrium, ...).
+ * This can be done in the problem.
+ */
+SET_PROP(TwoPTwoC, FluidState){
+ private:
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+ public:
+ typedef Dumux::CompositionalFluidState<Scalar, FluidSystem> type;
+};
+
+//! Set the number of equations to 2
+SET_INT_PROP(TwoPTwoC, NumEq, 2);
+
+//! Set the default formulation to pw-sn
+SET_INT_PROP(TwoPTwoC,
+ Formulation,
+ TwoPTwoCFormulation::pwsn);
+
+//! Set as default that no component mass balance is replaced by the total mass balance
+SET_INT_PROP(TwoPTwoC, ReplaceCompEqIdx, 2);
+
+//! Set the property for the material parameters by extracting it from the material law.
+SET_PROP(TwoPTwoC, MaterialLawParams)
+{
+ private:
+ typedef typename GET_PROP_TYPE(TypeTag, MaterialLaw) MaterialLaw;
+
+ public:
+ typedef typename MaterialLaw::Params type;
+};
+
+//! Use the 2p2c local residual operator
+SET_TYPE_PROP(TwoPTwoC,
+ LocalResidual,
+ TwoPTwoCLocalResidual<TypeTag>);
+
+//! Use the 2p2c Newton controller
+SET_TYPE_PROP(TwoPTwoC, NewtonController, TwoPTwoCNewtonController<TypeTag>);
+
+//! Use the 2p2c model
+SET_TYPE_PROP(TwoPTwoC, Model, TwoPTwoCModel<TypeTag>);
+
+//! Use the 2p2c VolumeVariables
+SET_TYPE_PROP(TwoPTwoC, VolumeVariables, TwoPTwoCVolumeVariables<TypeTag>);
+
+//! Use the 2p2c FluxVariables
+SET_TYPE_PROP(TwoPTwoC, FluxVariables, TwoPTwoCFluxVariables<TypeTag>);
+
+//! Set the BaseFluxVariables to realize Darcy flow
+SET_TYPE_PROP(TwoPTwoC, BaseFluxVariables, ImplicitDarcyFluxVariables<TypeTag>);
+
+//! Set the upwind weight for the mass conservation equations
+SET_SCALAR_PROP(TwoPTwoC, ImplicitMassUpwindWeight, 1.0);
+
+//! Set default mobility upwind weight to 1.0, i.e. fully upwind
+SET_SCALAR_PROP(TwoPTwoC, ImplicitMobilityUpwindWeight, 1.0);
+
+//! Set the indices required by the isothermal 2p2c
+SET_PROP(TwoPTwoC, Indices)
+{ private:
+ enum { Formulation = GET_PROP_VALUE(TypeTag, Formulation) };
+ public:
+ typedef TwoPTwoCIndices<TypeTag, Formulation, 0> type;
+};
+
+//! Use the ImplicitSpatialParams by default
+SET_TYPE_PROP(TwoPTwoC, SpatialParams, ImplicitSpatialParams<TypeTag>);
+
+//! Use the model after Millington (1961) for the effective diffusivity
+SET_PROP(TwoPTwoC, EffectiveDiffusivityModel)
+{ private :
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ public:
+ typedef DiffusivityMillingtonQuirk<Scalar> type;
+};
+
+//! Disable velocity output by default
+SET_BOOL_PROP(TwoPTwoC, VtkAddVelocity, false);
+
+//! Enable gravity by default
+SET_BOOL_PROP(TwoPTwoC, ProblemEnableGravity, true);
+
+//! Use mole fractions in the balance equations by default
+SET_BOOL_PROP(TwoPTwoC, UseMoles, true);
+
+//! Determines whether the constraint solver is used
+SET_BOOL_PROP(TwoPTwoC, UseConstraintSolver, true);
+
+//! Set default value for the Forchheimer coefficient
+// Source: Ward, J.C. 1964 Turbulent flow in porous media. ASCE J. Hydraul. Div 90.
+// Actually the Forchheimer coefficient is also a function of the dimensions of the
+// porous medium. Taking it as a constant is only a first approximation
+// (Nield, Bejan, Convection in porous media, 2006, p. 10)
+SET_SCALAR_PROP(TwoPTwoC, SpatialParamsForchCoeff, 0.55);
+
+//! Somerton is used as default model to compute the effective thermal heat conductivity
+SET_PROP(TwoPTwoCNI, ThermalConductivityModel)
+{
+private:
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
+public:
+ typedef ThermalConductivitySomerton<Scalar, Indices> type;
+};
+
+//! temperature is already written by the isothermal model
+SET_BOOL_PROP(TwoPTwoCNI, NiOutputLevel, 0);
+
+//////////////////////////////////////////////////////////////////
+// Property values for isothermal model required for the general non-isothermal model
+//////////////////////////////////////////////////////////////////
+
+// set isothermal Model
+SET_TYPE_PROP(TwoPTwoCNI, IsothermalModel, TwoPTwoCModel<TypeTag>);
+
+// set isothermal FluxVariables
+SET_TYPE_PROP(TwoPTwoCNI, IsothermalFluxVariables, TwoPTwoCFluxVariables<TypeTag>);
+
+//set isothermal VolumeVariables
+SET_TYPE_PROP(TwoPTwoCNI, IsothermalVolumeVariables, TwoPTwoCVolumeVariables<TypeTag>);
+
+//set isothermal LocalResidual
+SET_TYPE_PROP(TwoPTwoCNI, IsothermalLocalResidual, TwoPTwoCLocalResidual<TypeTag>);
+
+//set isothermal Indices
+SET_PROP(TwoPTwoCNI, IsothermalIndices)
+{
+private:
+ enum { Formulation = GET_PROP_VALUE(TypeTag, Formulation) };
+public:
+ typedef TwoPTwoCIndices<TypeTag, Formulation, 0> type;
+};
+
+//set isothermal NumEq
+SET_INT_PROP(TwoPTwoCNI, IsothermalNumEq, 2);
+
+}
+
+}
+
+#endif
diff --git a/dumux/porousmediumflow/2p2c/implicit/volumevariables.hh b/dumux/porousmediumflow/2p2c/implicit/volumevariables.hh
new file mode 100644
index 0000000000..88b20bb907
--- /dev/null
+++ b/dumux/porousmediumflow/2p2c/implicit/volumevariables.hh
@@ -0,0 +1,621 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ *
+ * \brief Contains the quantities which are constant within a
+ * finite volume in the two-phase two-component model.
+ */
+#ifndef DUMUX_2P2C_VOLUME_VARIABLES_HH
+#define DUMUX_2P2C_VOLUME_VARIABLES_HH
+
+#include <dumux/implicit/model.hh>
+#include <dumux/material/fluidstates/compositionalfluidstate.hh>
+#include <dumux/material/constraintsolvers/computefromreferencephase.hh>
+#include <dumux/material/constraintsolvers/misciblemultiphasecomposition.hh>
+#include "properties.hh"
+#include "indices.hh"
+
+namespace Dumux
+{
+
+/*!
+ * \ingroup TwoPTwoCModel
+ * \ingroup ImplicitVolumeVariables
+ * \brief Contains the quantities which are constant within a
+ * finite volume in the two-phase two-component model.
+ */
+template <class TypeTag>
+class TwoPTwoCVolumeVariables : public ImplicitVolumeVariables<TypeTag>
+{
+ typedef ImplicitVolumeVariables<TypeTag> ParentType;
+
+ typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) Implementation;
+ typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
+ typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
+ typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, MaterialLaw) MaterialLaw;
+ typedef typename GET_PROP_TYPE(TypeTag, MaterialLawParams) MaterialLawParams;
+ enum {
+ numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
+ numComponents = GET_PROP_VALUE(TypeTag, NumComponents)
+ };
+
+ typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
+ enum {
+ wCompIdx = Indices::wCompIdx,
+ nCompIdx = Indices::nCompIdx,
+ wPhaseIdx = Indices::wPhaseIdx,
+ nPhaseIdx = Indices::nPhaseIdx
+ };
+
+ // present phases
+ enum {
+ wPhaseOnly = Indices::wPhaseOnly,
+ nPhaseOnly = Indices::nPhaseOnly,
+ bothPhases = Indices::bothPhases
+ };
+
+ // formulations
+ enum {
+ formulation = GET_PROP_VALUE(TypeTag, Formulation),
+ pwsn = TwoPTwoCFormulation::pwsn,
+ pnsw = TwoPTwoCFormulation::pnsw
+ };
+
+ // primary variable indices
+ enum {
+ switchIdx = Indices::switchIdx,
+ pressureIdx = Indices::pressureIdx
+ };
+
+ typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
+ typedef typename GridView::template Codim<0>::Entity Element;
+ enum { dim = GridView::dimension};
+
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+ typedef Dumux::MiscibleMultiPhaseComposition<Scalar, FluidSystem> MiscibleMultiPhaseComposition;
+ static const bool useMoles = GET_PROP_VALUE(TypeTag, UseMoles);
+ static const bool useConstraintSolver = GET_PROP_VALUE(TypeTag, UseConstraintSolver);
+ static_assert(useMoles || (!useMoles && useConstraintSolver),
+ "if UseMoles is set false, UseConstraintSolver has to be set to true");
+ typedef Dumux::ComputeFromReferencePhase<Scalar, FluidSystem> ComputeFromReferencePhase;
+
+ enum { isBox = GET_PROP_VALUE(TypeTag, ImplicitIsBox) };
+ enum { dofCodim = isBox ? dim : 0 };
+
+public:
+
+ typedef typename GET_PROP_TYPE(TypeTag, FluidState) FluidState;
+
+ /*!
+ * \copydoc ImplicitVolumeVariables::update
+ */
+ void update(const PrimaryVariables &priVars,
+ const Problem &problem,
+ const Element &element,
+ const FVElementGeometry &fvGeometry,
+ const int scvIdx,
+ const bool isOldSol)
+ {
+ ParentType::update(priVars,
+ problem,
+ element,
+ fvGeometry,
+ scvIdx,
+ isOldSol);
+
+ completeFluidState(priVars, problem, element, fvGeometry, scvIdx, fluidState_, isOldSol);
+
+ /////////////
+ // calculate the remaining quantities
+ /////////////
+ const MaterialLawParams &materialParams =
+ problem.spatialParams().materialLawParams(element, fvGeometry, scvIdx);
+
+ // Second instance of a parameter cache.
+ // Could be avoided if diffusion coefficients also
+ // became part of the fluid state.
+ typename FluidSystem::ParameterCache paramCache;
+ paramCache.updateAll(fluidState_);
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
+
+
+ // relative permeabilities
+ Scalar kr;
+ if (phaseIdx == wPhaseIdx)
+ kr = MaterialLaw::krw(materialParams, saturation(wPhaseIdx));
+ else // ATTENTION: krn requires the wetting phase saturation
+ // as parameter!
+ kr = MaterialLaw::krn(materialParams, saturation(wPhaseIdx));
+ relativePermeability_[phaseIdx] = kr;
+ Valgrind::CheckDefined(relativePermeability_[phaseIdx]);
+
+ // binary diffusion coefficients
+ diffCoeff_[phaseIdx] =
+ FluidSystem::binaryDiffusionCoefficient(fluidState_,
+ paramCache,
+ phaseIdx,
+ wCompIdx,
+ nCompIdx);
+ Valgrind::CheckDefined(diffCoeff_[phaseIdx]);
+ }
+
+ // porosity
+ porosity_ = problem.spatialParams().porosity(element,
+ fvGeometry,
+ scvIdx);
+ Valgrind::CheckDefined(porosity_);
+
+ // energy related quantities not contained in the fluid state
+ asImp_().updateEnergy_(priVars, problem, element, fvGeometry, scvIdx, isOldSol);
+ }
+
+ /*!
+ * \copydoc ImplicitModel::completeFluidState
+ * \param isOldSol Specifies whether this is the previous solution or the current one
+ */
+ static void completeFluidState(const PrimaryVariables& priVars,
+ const Problem& problem,
+ const Element& element,
+ const FVElementGeometry& fvGeometry,
+ int scvIdx,
+ FluidState& fluidState,
+ bool isOldSol = false)
+ {
+ Scalar t = Implementation::temperature_(priVars, problem, element,
+ fvGeometry, scvIdx);
+ fluidState.setTemperature(t);
+ int dofIdxGlobal = problem.model().dofMapper().subIndex(element, scvIdx, dofCodim);
+ int phasePresence = problem.model().phasePresence(dofIdxGlobal, isOldSol);
+
+ /////////////
+ // set the saturations
+ /////////////
+ Scalar sn;
+ if (phasePresence == nPhaseOnly)
+ sn = 1.0;
+ else if (phasePresence == wPhaseOnly) {
+ sn = 0.0;
+ }
+ else if (phasePresence == bothPhases) {
+ if (formulation == pwsn)
+ sn = priVars[switchIdx];
+ else if (formulation == pnsw)
+ sn = 1.0 - priVars[switchIdx];
+ else DUNE_THROW(Dune::InvalidStateException, "Formulation: " << formulation << " is invalid.");
+ }
+ else DUNE_THROW(Dune::InvalidStateException, "phasePresence: " << phasePresence << " is invalid.");
+ fluidState.setSaturation(wPhaseIdx, 1 - sn);
+ fluidState.setSaturation(nPhaseIdx, sn);
+
+ /////////////
+ // set the pressures of the fluid phases
+ /////////////
+
+ // calculate capillary pressure
+ const MaterialLawParams &materialParams =
+ problem.spatialParams().materialLawParams(element, fvGeometry, scvIdx);
+ Scalar pc = MaterialLaw::pc(materialParams, 1 - sn);
+
+ if (formulation == pwsn) {
+ fluidState.setPressure(wPhaseIdx, priVars[pressureIdx]);
+ fluidState.setPressure(nPhaseIdx, priVars[pressureIdx] + pc);
+ }
+ else if (formulation == pnsw) {
+ fluidState.setPressure(nPhaseIdx, priVars[pressureIdx]);
+ fluidState.setPressure(wPhaseIdx, priVars[pressureIdx] - pc);
+ }
+ else DUNE_THROW(Dune::InvalidStateException, "Formulation: " << formulation << " is invalid.");
+
+ /////////////
+ // calculate the phase compositions
+ /////////////
+ typename FluidSystem::ParameterCache paramCache;
+
+ //get the phase pressures and set the fugacity coefficients here if constraintsolver is not used
+ Scalar pn = 0;
+ Scalar pw = 0;
+
+ if(!useConstraintSolver) {
+ if (formulation == pwsn) {
+ pw = priVars[pressureIdx];
+ pn = pw + pc;
+ }
+ else {
+ pn = priVars[pressureIdx];
+ pw = pn - pc;
+ }
+
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++ phaseIdx) {
+ assert(FluidSystem::isIdealMixture(phaseIdx));
+
+ for (int compIdx = 0; compIdx < numComponents; ++ compIdx) {
+ Scalar phi = FluidSystem::fugacityCoefficient(fluidState, paramCache, phaseIdx, compIdx);
+ fluidState.setFugacityCoefficient(phaseIdx, compIdx, phi);
+ }
+ }
+ }
+
+ // now comes the tricky part: calculate phase compositions
+ if (phasePresence == bothPhases) {
+ // both phases are present, phase compositions are a
+ // result of the the nonwetting <-> wetting equilibrium. This is
+ // the job of the "MiscibleMultiPhaseComposition"
+ // constraint solver
+ if(useConstraintSolver) {
+ MiscibleMultiPhaseComposition::solve(fluidState,
+ paramCache,
+ /*setViscosity=*/true,
+ /*setInternalEnergy=*/false);
+ }
+ // ... or calculated explicitly this way ...
+ else {
+ //get the partial pressure of the main component of the the wetting phase ("H20") within the nonwetting (gas) phase == vapor pressure due to equilibrium
+ //note that in this case the fugacityCoefficient * pw is the vapor pressure (see implementation in respective fluidsystem)
+ Scalar partPressH2O = FluidSystem::fugacityCoefficient(fluidState,
+ wPhaseIdx,
+ wCompIdx) * pw;
+
+ // get the partial pressure of the main component of the the nonwetting (gas) phase ("Air")
+ Scalar partPressAir = pn - partPressH2O;
+
+ //calculate the mole fractions of the components within the nonwetting phase
+ Scalar xnn = partPressAir/pn;
+ Scalar xnw = partPressH2O/pn;
+
+ // calculate the mole fractions of the components within the wetting phase
+ //note that in this case the fugacityCoefficient * pw is the Henry Coefficient (see implementation in respective fluidsystem)
+ Scalar xwn = partPressAir
+ / (FluidSystem::fugacityCoefficient(fluidState,
+ wPhaseIdx,nCompIdx)
+ * pw);
+
+ Scalar xww = 1.0 -xwn;
+
+ //set all mole fractions
+ fluidState.setMoleFraction(wPhaseIdx, wCompIdx, xww);
+ fluidState.setMoleFraction(wPhaseIdx, nCompIdx, xwn);
+ fluidState.setMoleFraction(nPhaseIdx, wCompIdx, xnw);
+ fluidState.setMoleFraction(nPhaseIdx, nCompIdx, xnn);
+
+ paramCache.updateComposition(fluidState, wPhaseIdx);
+ paramCache.updateComposition(fluidState, nPhaseIdx);
+
+ //set the phase densities
+ Scalar rhoW = FluidSystem::density(fluidState, paramCache, wPhaseIdx);
+ Scalar rhoN = FluidSystem::density(fluidState, paramCache, nPhaseIdx);
+
+ fluidState.setDensity(wPhaseIdx, rhoW);
+ fluidState.setDensity(nPhaseIdx, rhoN);
+ }
+ }
+ else if (phasePresence == nPhaseOnly) {
+ // only the nonwetting phase is present, i.e. nonwetting phase
+ // composition is stored explicitly.
+ if(useMoles)
+ {
+ fluidState.setMoleFraction(nPhaseIdx, nCompIdx, 1 - priVars[switchIdx]);
+ fluidState.setMoleFraction(nPhaseIdx, wCompIdx, priVars[switchIdx]);
+ }
+ else
+ {
+ // setMassFraction() has only to be called 1-numComponents times
+ fluidState.setMassFraction(nPhaseIdx, wCompIdx, priVars[switchIdx]);
+ }
+
+ // calculate the composition of the remaining phases (as
+ // well as the densities of all phases). This is the job
+ // of the "ComputeFromReferencePhase" constraint solver
+ if (useConstraintSolver) {
+ ComputeFromReferencePhase::solve(fluidState,
+ paramCache,
+ nPhaseIdx,
+ /*setViscosity=*/true,
+ /*setInternalEnergy=*/false);
+ }
+ // ... or calculated explicitly this way ...
+ else {
+ // note that the water phase is actually not existing!
+ // thus, this is used as phase switch criterion
+ Scalar xnw = priVars[switchIdx];
+ Scalar xnn = 1.0 -xnw;
+
+ //first, xww:
+ // xnw * pn = "actual" (hypothetical) vapor pressure
+ // fugacityCoefficient * pw = vapor pressure given by thermodynamic conditions
+ // Here, xww is not actually the mole fraction of water in the wetting phase
+ // xww is only the ratio of "actual" vapor pressure / "thermodynamic" vapor pressure
+ // If xww > 1 : gas is over-saturated with water vapor,
+ // condensation takes place (see switch criterion in model)
+ Scalar xww = xnw * pn
+ / (FluidSystem::fugacityCoefficient(fluidState,
+ wPhaseIdx,wCompIdx)
+ * pw);
+
+ // now, xwn:
+ //partialPressure / xwn = Henry
+ //partialPressure = xnn * pn
+ //xwn = xnn * pn / Henry
+ // Henry = fugacityCoefficient * pw
+ Scalar xwn = xnn * pn / (FluidSystem::fugacityCoefficient(fluidState,
+ wPhaseIdx,nCompIdx)
+ * pw);
+
+ fluidState.setMoleFraction(wPhaseIdx, wCompIdx, xww);
+ fluidState.setMoleFraction(wPhaseIdx, nCompIdx, xwn);
+
+ paramCache.updateComposition(fluidState, wPhaseIdx);
+ paramCache.updateComposition(fluidState, nPhaseIdx);
+
+ Scalar rhoW = FluidSystem::density(fluidState, paramCache, wPhaseIdx);
+ Scalar rhoN = FluidSystem::density(fluidState, paramCache, nPhaseIdx);
+
+ fluidState.setDensity(wPhaseIdx, rhoW);
+ fluidState.setDensity(nPhaseIdx, rhoN);
+ }
+ }
+ else if (phasePresence == wPhaseOnly) {
+ // only the wetting phase is present, i.e. wetting phase
+ // composition is stored explicitly.
+ if(useMoles) // mole-fraction formulation
+ {
+ fluidState.setMoleFraction(wPhaseIdx, wCompIdx, 1-priVars[switchIdx]);
+ fluidState.setMoleFraction(wPhaseIdx, nCompIdx, priVars[switchIdx]);
+ }
+ else // mass-fraction formulation
+ {
+ // setMassFraction() has only to be called 1-numComponents times
+ fluidState.setMassFraction(wPhaseIdx, nCompIdx, priVars[switchIdx]);
+ }
+
+ // calculate the composition of the remaining phases (as
+ // well as the densities of all phases). This is the job
+ // of the "ComputeFromReferencePhase" constraint solver
+ if (useConstraintSolver) {
+ ComputeFromReferencePhase::solve(fluidState,
+ paramCache,
+ wPhaseIdx,
+ /*setViscosity=*/true,
+ /*setInternalEnergy=*/false);
+ }
+ // ... or calculated explicitly this way ...
+ else {
+ // note that the gas phase is actually not existing!
+ // thus, this is used as phase switch criterion
+ Scalar xwn = priVars[switchIdx];
+
+ //first, xnw:
+ //psteam = xnw * pn = partial pressure of water in gas phase
+ //psteam = fugacityCoefficient * pw
+ Scalar xnw = (FluidSystem::fugacityCoefficient(fluidState,
+ wPhaseIdx,wCompIdx)
+ * pw) / pn ;
+
+ //now, xnn:
+ // xwn = partialPressure / Henry
+ // partialPressure = pn * xnn
+ // xwn = pn * xnn / Henry
+ // xnn = xwn * Henry / pn
+ // Henry = fugacityCoefficient * pw
+ Scalar xnn = xwn * (FluidSystem::fugacityCoefficient(fluidState,
+ wPhaseIdx,nCompIdx)
+ * pw) / pn ;
+
+ fluidState.setMoleFraction(nPhaseIdx, nCompIdx, xnn);
+ fluidState.setMoleFraction(nPhaseIdx, wCompIdx, xnw);
+
+ paramCache.updateComposition(fluidState, wPhaseIdx);
+ paramCache.updateComposition(fluidState, nPhaseIdx);
+
+ Scalar rhoW = FluidSystem::density(fluidState, paramCache, wPhaseIdx);
+ Scalar rhoN = FluidSystem::density(fluidState, paramCache, nPhaseIdx);
+
+ fluidState.setDensity(wPhaseIdx, rhoW);
+ fluidState.setDensity(nPhaseIdx, rhoN);
+ }
+ }
+
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
+ //set the viscosity here if constraintsolver is not used
+ if(!useConstraintSolver) {
+ const Scalar mu =
+ FluidSystem::viscosity(fluidState,
+ paramCache,
+ phaseIdx);
+ fluidState.setViscosity(phaseIdx,mu);
+ }
+ // compute and set the enthalpy
+ Scalar h = Implementation::enthalpy_(fluidState, paramCache, phaseIdx);
+ fluidState.setEnthalpy(phaseIdx, h);
+ }
+ }
+
+
+ /*!
+ * \brief Returns the phase state within the control volume.
+ */
+ const FluidState &fluidState() const
+ { return fluidState_; }
+
+ /*!
+ * \brief Returns the saturation of a given phase within
+ * the control volume in \f$[-]\f$.
+ *
+ * \param phaseIdx The phase index
+ */
+ Scalar saturation(const int phaseIdx) const
+ { return fluidState_.saturation(phaseIdx); }
+
+ /*!
+ * \brief Returns the mass fraction of a given component in a
+ * given phase within the control volume in \f$[-]\f$.
+ *
+ * \param phaseIdx The phase index
+ * \param compIdx The component index
+ */
+ Scalar massFraction(const int phaseIdx, const int compIdx) const
+ { return fluidState_.massFraction(phaseIdx, compIdx); }
+
+ /*!
+ * \brief Returns the mole fraction of a given component in a
+ * given phase within the control volume in \f$[-]\f$.
+ *
+ * \param phaseIdx The phase index
+ * \param compIdx The component index
+ */
+ Scalar moleFraction(const int phaseIdx, const int compIdx) const
+ { return fluidState_.moleFraction(phaseIdx, compIdx); }
+
+ /*!
+ * \brief Returns the mass density of a given phase within the
+ * control volume in \f$[kg/m^3]\f$.
+ *
+ * \param phaseIdx The phase index
+ */
+ Scalar density(const int phaseIdx) const
+ { return fluidState_.density(phaseIdx); }
+
+ /*!
+ * \brief Returns the dynamic viscosity of the fluid within the
+ * control volume in \f$\mathrm{[Pa s]}\f$.
+ *
+ * \param phaseIdx The phase index
+ */
+ Scalar viscosity(const int phaseIdx) const
+ { return fluidState_.viscosity(phaseIdx); }
+
+ /*!
+ * \brief Returns the mass density of a given phase within the
+ * control volume in \f$[mol/m^3]\f$.
+ *
+ * \param phaseIdx The phase index
+ */
+ Scalar molarDensity(const int phaseIdx) const
+ { return fluidState_.density(phaseIdx) / fluidState_.averageMolarMass(phaseIdx); }
+
+ /*!
+ * \brief Returns the effective pressure of a given phase within
+ * the control volume in \f$[kg/(m*s^2)=N/m^2=Pa]\f$.
+ *
+ * \param phaseIdx The phase index
+ */
+ Scalar pressure(const int phaseIdx) const
+ { return fluidState_.pressure(phaseIdx); }
+
+ /*!
+ * \brief Returns temperature within the control volume in \f$[K]\f$.
+ *
+ * Note that we assume thermodynamic equilibrium, i.e. the
+ * temperature of the rock matrix and of all fluid phases are
+ * identical.
+ */
+ Scalar temperature() const
+ { return fluidState_.temperature(/*phaseIdx=*/0); }
+
+ /*!
+ * \brief Returns the relative permeability of a given phase within
+ * the control volume in \f$[-]\f$.
+ *
+ * \param phaseIdx The phase index
+ */
+ Scalar relativePermeability(const int phaseIdx) const
+ {
+ return relativePermeability_[phaseIdx];
+ }
+
+ /*!
+ * \brief Returns the effective mobility of a given phase within
+ * the control volume in \f$[s*m/kg]\f$.
+ *
+ * \param phaseIdx The phase index
+ */
+ Scalar mobility(const int phaseIdx) const
+ {
+ return relativePermeability_[phaseIdx]/fluidState_.viscosity(phaseIdx);
+ }
+
+ /*!
+ * \brief Returns the effective capillary pressure within the control volume
+ * in \f$[kg/(m*s^2)=N/m^2=Pa]\f$.
+ */
+ Scalar capillaryPressure() const
+ { return fluidState_.pressure(nPhaseIdx) - fluidState_.pressure(wPhaseIdx); }
+
+ /*!
+ * \brief Returns the average porosity within the control volume in \f$[-]\f$.
+ */
+ Scalar porosity() const
+ { return porosity_; }
+
+ /*!
+ * \brief Returns the binary diffusion coefficients for a phase in \f$[m^2/s]\f$.
+ */
+ Scalar diffCoeff(const int phaseIdx) const
+ { return diffCoeff_[phaseIdx]; }
+
+
+protected:
+ static Scalar temperature_(const PrimaryVariables &priVars,
+ const Problem& problem,
+ const Element &element,
+ const FVElementGeometry &fvGeometry,
+ int scvIdx)
+ {
+ return problem.temperatureAtPos(fvGeometry.subContVol[scvIdx].global);
+ }
+
+ template<class ParameterCache>
+ static Scalar enthalpy_(const FluidState& fluidState,
+ const ParameterCache& paramCache,
+ const int phaseIdx)
+ {
+ return 0;
+ }
+
+ /*!
+ * \brief Called by update() to compute the energy related quantities
+ */
+ void updateEnergy_(const PrimaryVariables &sol,
+ const Problem &problem,
+ const Element &element,
+ const FVElementGeometry &fvGeometry,
+ const int scvIdx,
+ bool isOldSol)
+ { }
+
+ Scalar porosity_; //!< Effective porosity within the control volume
+ Scalar relativePermeability_[numPhases]; //!< Relative permeability within the control volume
+ Scalar diffCoeff_[numPhases]; //!< Binary diffusion coefficients for the phases
+ FluidState fluidState_;
+
+private:
+ Implementation &asImp_()
+ { return *static_cast<Implementation*>(this); }
+
+ const Implementation &asImp_() const
+ { return *static_cast<const Implementation*>(this); }
+
+
+};
+
+} // end namespace
+
+#endif
diff --git a/dumux/porousmediumflow/2pnc/implicit/fluxvariables.hh b/dumux/porousmediumflow/2pnc/implicit/fluxvariables.hh
new file mode 100644
index 0000000000..8f85e0d0ae
--- /dev/null
+++ b/dumux/porousmediumflow/2pnc/implicit/fluxvariables.hh
@@ -0,0 +1,415 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ * \brief Contains the data which is required to calculate
+ * all fluxes of components over a face of a finite volume for
+ * the two-phase two-component model fully implicit model.
+ */
+#ifndef DUMUX_2PNC_FLUX_VARIABLES_HH
+#define DUMUX_2PNC_FLUX_VARIABLES_HH
+
+#include <dumux/common/math.hh>
+#include <dumux/common/spline.hh>
+
+#include "properties.hh"
+
+namespace Dumux
+{
+/*!
+ * \ingroup TwoPNCModel
+ * \ingroup ImplicitFluxVariables
+ * \brief Contains the data which is required to calculate
+ * all fluxes of components over a face of a finite volume for
+ * the two-phase n-component fully implicit model.
+ *
+ * This means pressure and concentration gradients, phase densities at
+ * the integration point, etc.
+ */
+
+template <class TypeTag>
+class TwoPNCFluxVariables : public GET_PROP_TYPE(TypeTag, BaseFluxVariables)
+{
+ typedef typename GET_PROP_TYPE(TypeTag, BaseFluxVariables) BaseFluxVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
+
+ typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
+ typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
+
+ typedef typename GridView::ctype CoordScalar;
+ typedef typename GridView::template Codim<0>::Entity Element;
+ typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
+
+ enum {
+ dim = GridView::dimension,
+ dimWorld = GridView::dimensionworld,
+ numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
+ numComponents = GET_PROP_VALUE(TypeTag, NumComponents),
+ };
+
+ typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
+ typedef typename GET_PROP_TYPE(TypeTag, SpatialParams) SpatialParams;
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+// typedef typename FVElementGeometry::SubControlVolume SCV;
+ typedef typename FVElementGeometry::SubControlVolumeFace SCVFace;
+
+ typedef Dune::FieldVector<CoordScalar, dimWorld> DimVector;
+ typedef Dune::FieldMatrix<CoordScalar, dim, dim> DimMatrix;
+
+ typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
+ enum {
+ wPhaseIdx = FluidSystem::wPhaseIdx,
+ nPhaseIdx = FluidSystem::nPhaseIdx,
+ wCompIdx = FluidSystem::wCompIdx,
+ };
+
+public:
+ /*!
+ * \brief The constructor
+ *
+ * \param problem The problem
+ * \param element The finite element
+ * \param fvGeometry The finite-volume geometry in the fully implicit scheme
+ * \param fIdx The local index of the sub-control-volume face
+ * \param elemVolVars The volume variables of the current element
+ * \param onBoundary Evaluate flux at inner sub-control-volume face or on a boundary face
+ */
+ TwoPNCFluxVariables(const Problem &problem,
+ const Element &element,
+ const FVElementGeometry &fvGeometry,
+ const int fIdx,
+ const ElementVolumeVariables &elemVolVars,
+ const bool onBoundary = false)
+ : BaseFluxVariables(problem, element, fvGeometry, fIdx, elemVolVars, onBoundary)
+ {
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
+ density_[phaseIdx] = Scalar(0);
+ molarDensity_[phaseIdx] = Scalar(0);
+ potentialGrad_[phaseIdx] = Scalar(0);
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx)
+ {
+ massFractionGrad_[phaseIdx][compIdx] = Scalar(0);
+ moleFractionGrad_[phaseIdx][compIdx] = Scalar(0);
+ }
+ }
+ calculateGradients_(problem, element, elemVolVars);
+ calculateVelocities_(problem, element, elemVolVars);
+ calculateporousDiffCoeff_(problem, element, elemVolVars);
+ };
+
+protected:
+ void calculateGradients_(const Problem &problem,
+ const Element &element,
+ const ElementVolumeVariables &elemVolVars)
+ {
+ // calculate gradients
+ DimVector tmp(0.0);
+ for (int idx = 0;
+ idx < this->fvGeometry_.numScv;
+ idx++) // loop over adjacent vertices
+ {
+ // FE gradient at vertex idx
+ const DimVector &feGrad = face().grad[idx];
+
+ // compute sum of pressure gradients for each phase
+ for (int phaseIdx = 0; phaseIdx < numPhases; phaseIdx++)
+ {
+ // the pressure gradient
+ tmp = feGrad;
+ tmp *= elemVolVars[idx].pressure(phaseIdx); //FE grad times phase pressure
+ potentialGrad_[phaseIdx] += tmp;
+ }
+
+ // the concentration gradient of the non-wetting
+ // component in the wetting phase
+
+ for(int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ {
+ for(int compIdx = 0; compIdx < numComponents; ++compIdx)
+ {
+ if(compIdx != phaseIdx) //No grad is needed for this case
+ {
+ tmp = feGrad;
+ tmp *= elemVolVars[idx].massFraction(phaseIdx, compIdx);
+ massFractionGrad_[phaseIdx][compIdx] += tmp;
+
+ tmp = feGrad;
+ tmp *= elemVolVars[idx].moleFraction(phaseIdx, compIdx);
+ moleFractionGrad_[phaseIdx][compIdx] += tmp;
+ }
+ }
+ }
+ }
+
+ // correct the pressure gradients by the hydrostatic
+ // pressure due to gravity
+ for (int phaseIdx=0; phaseIdx < numPhases; phaseIdx++)
+ {
+ int i = face().i;
+ int j = face().j;
+ Scalar fI = rhoFactor_(phaseIdx, i, elemVolVars);
+ Scalar fJ = rhoFactor_(phaseIdx, j, elemVolVars);
+ if (fI + fJ <= 0)
+ fI = fJ = 0.5; // doesn't matter because no phase is
+ // present in both cells!
+ density_[phaseIdx] =
+ (fI*elemVolVars[i].density(phaseIdx) +
+ fJ*elemVolVars[j].density(phaseIdx))
+ /
+ (fI + fJ);
+ // phase density
+ molarDensity_[phaseIdx]
+ =
+ (fI*elemVolVars[i].molarDensity(phaseIdx) +
+ fJ*elemVolVars[j].molarDensity(phaseIdx))
+ /
+ (fI + fJ); //arithmetic averaging
+
+ tmp = problem.gravity();
+ tmp *= density_[phaseIdx];
+
+ potentialGrad_[phaseIdx] -= tmp;
+ }
+ }
+
+ Scalar rhoFactor_(int phaseIdx, int scvIdx, const ElementVolumeVariables &vDat)
+ {
+
+ static const Scalar eps = 1e-2;
+ const Scalar sat = vDat[scvIdx].density(phaseIdx);
+ if (sat > eps)
+ return 0.5;
+ if (sat <= 0)
+ return 0;
+
+ static const Dumux::Spline<Scalar> sp(0, eps, // x0, x1
+ 0, 0.5, // y0, y1
+ 0, 0); // m0, m1
+ return sp.eval(sat);
+ }
+
+ void calculateVelocities_(const Problem &problem,
+ const Element &element,
+ const ElementVolumeVariables &elemVolVars)
+ {
+ const SpatialParams &spatialParams = problem.spatialParams();
+ // multiply the pressure potential with the intrinsic
+ // permeability
+ DimMatrix K(0.0);
+
+ for (int phaseIdx=0; phaseIdx < numPhases; phaseIdx++)
+ {
+ auto K_i = spatialParams.intrinsicPermeability(element,this->fvGeometry_,face().i);
+ //K_i *= volVarsI.permFactor();
+
+ auto K_j = spatialParams.intrinsicPermeability(element,this->fvGeometry_,face().j);
+ //K_j *= volVarsJ.permFactor();
+
+ spatialParams.meanK(K,K_i,K_j);
+
+ K.mv(potentialGrad_[phaseIdx], Kmvp_[phaseIdx]);
+ KmvpNormal_[phaseIdx] = - (Kmvp_[phaseIdx] * face().normal);
+ }
+
+ // set the upstream and downstream vertices
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ {
+ upstreamIdx_[phaseIdx] = face().i;
+ downstreamIdx_[phaseIdx] = face().j;
+
+ if (KmvpNormal_[phaseIdx] < 0) {
+ std::swap(upstreamIdx_[phaseIdx],
+ downstreamIdx_[phaseIdx]);
+ }
+ }
+ }
+
+ void calculateporousDiffCoeff_(const Problem &problem,
+ const Element &element,
+ const ElementVolumeVariables &elemVolVars)
+ {
+ const VolumeVariables &volVarsI = elemVolVars[face().i];
+ const VolumeVariables &volVarsJ = elemVolVars[face().j];
+
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ {
+ /* If there is no phase saturation on either side of the face
+ * no diffusion takes place */
+
+ if (volVarsI.saturation(phaseIdx) <= 0 ||
+ volVarsJ.saturation(phaseIdx) <= 0)
+ {
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx)
+ {
+ porousDiffCoeff_[phaseIdx][compIdx] = 0.0;
+ }
+ }
+
+ else
+ {
+ // calculate tortuosity at the nodes i and j needed
+ // for porous media diffusion coefficient
+ Scalar tauI = 1.0/(volVarsI.porosity() * volVarsI.porosity()) *
+ pow(volVarsI.porosity() * volVarsI.saturation(phaseIdx), 7.0/3);
+
+ Scalar tauJ = 1.0/(volVarsJ.porosity() * volVarsJ.porosity()) *
+ pow(volVarsJ.porosity() * volVarsJ.saturation(phaseIdx), 7.0/3);
+ // Diffusion coefficient in the porous medium
+
+ // -> harmonic mean
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx)
+ {
+ if(phaseIdx==compIdx)
+ porousDiffCoeff_[phaseIdx][compIdx] = 0.0;
+ else
+ {
+ porousDiffCoeff_[phaseIdx][compIdx] = harmonicMean(volVarsI.porosity() * volVarsI.saturation(phaseIdx) * tauI * volVarsI.diffCoeff(phaseIdx, compIdx),
+ volVarsJ.porosity() * volVarsJ.saturation(phaseIdx) * tauJ * volVarsJ.diffCoeff(phaseIdx, compIdx));
+ }
+ }
+ }
+ }
+ }
+
+public:
+ /*!
+ * \brief Return the pressure potential multiplied with the
+ * intrinsic permeability which goes from vertex i to
+ * vertex j.
+ *
+ * Note that the length of the face's normal is the area of the
+ * face, so this is not the actual velocity by the integral of
+ * the velocity over the face's area. Also note that the phase
+ * mobility is not yet included here since this would require a
+ * decision on the upwinding approach (which is done in the
+ * model and/or local residual file).
+ *
+ * \param phaseIdx The phase index
+ */
+ Scalar KmvpNormal(int phaseIdx) const
+ { return KmvpNormal_[phaseIdx]; }
+
+ /*!
+ * \brief Return the pressure potential multiplied with the
+ * intrinsic permeability as vector (for velocity output)
+ *
+ * \param phaseIdx The phase index
+ */
+ DimVector Kmvp(int phaseIdx) const
+ { return Kmvp_[phaseIdx]; }
+
+ /*!
+ * \brief Return the local index of the upstream control volume
+ * for a given phase.
+ *
+ * \param phaseIdx The phase index
+ */
+ int upstreamIdx(int phaseIdx) const
+ { return upstreamIdx_[phaseIdx]; }
+
+ /*!
+ * \brief Return the local index of the downstream control volume
+ * for a given phase.
+ *
+ * \param phaseIdx The phase index
+ */
+ int downstreamIdx(int phaseIdx) const
+ { return downstreamIdx_[phaseIdx]; }
+
+ /*!
+ * \brief The binary diffusion coefficient for each fluid phase.
+ *
+ * \param phaseIdx The phase index
+ * \param compIdx The component index
+ */
+ Scalar porousDiffCoeff(int phaseIdx, int compIdx) const
+ { return porousDiffCoeff_[phaseIdx][compIdx];}
+
+ /*!
+ * \brief Return density \f$\mathrm{[kg/m^3]}\f$ of a phase at the integration
+ * point.
+ *
+ * \param phaseIdx The phase index
+ */
+ Scalar density(int phaseIdx) const
+ { return density_[phaseIdx]; }
+
+ /*!
+ * \brief Return molar density \f$\mathrm{[mol/m^3]}\f$ of a phase at the integration
+ * point.
+ *
+ * \param phaseIdx The phase index
+ */
+ Scalar molarDensity(int phaseIdx) const
+ { return molarDensity_[phaseIdx]; }
+
+ /*!
+ * \brief The concentration gradient of a component in a phase.
+ *
+ * \param phaseIdx The phase index
+ * \param compIdx The component index
+ */
+ const DimVector &massFractionGrad(int phaseIdx, int compIdx) const
+ { return massFractionGrad_[phaseIdx][compIdx]; }
+
+ /*!
+ * \brief The molar concentration gradient of a component in a phase.
+ *
+ * \param phaseIdx The phase index
+ * \param compIdx The component index
+ */
+ const DimVector &moleFractionGrad(int phaseIdx, int compIdx) const
+ { return moleFractionGrad_[phaseIdx][compIdx]; }
+
+ const SCVFace &face() const
+ {
+ if (this->onBoundary_)
+ return this->fvGeometry_.boundaryFace[this->faceIdx_];
+ else
+ return this->fvGeometry_.subContVolFace[this->faceIdx_];
+ }
+
+protected:
+
+ // gradients
+ DimVector potentialGrad_[numPhases];
+ DimVector massFractionGrad_[numPhases][numComponents];
+ DimVector moleFractionGrad_[numPhases][numComponents];
+
+ // density of each face at the integration point
+ Scalar density_[numPhases], molarDensity_[numPhases];
+
+ // intrinsic permeability times pressure potential gradient
+ DimVector Kmvp_[numPhases];
+ // projected on the face normal
+ Scalar KmvpNormal_[numPhases];
+
+ // local index of the upwind vertex for each phase
+ int upstreamIdx_[numPhases];
+ // local index of the downwind vertex for each phase
+ int downstreamIdx_[numPhases];
+
+ // the diffusion coefficient for the porous medium
+ Dune::FieldMatrix<Scalar, numPhases, numComponents> porousDiffCoeff_;
+};
+
+} // end namespace
+
+#endif
diff --git a/dumux/porousmediumflow/2pnc/implicit/indices.hh b/dumux/porousmediumflow/2pnc/implicit/indices.hh
new file mode 100644
index 0000000000..a527345942
--- /dev/null
+++ b/dumux/porousmediumflow/2pnc/implicit/indices.hh
@@ -0,0 +1,80 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+
+/*!
+ * \file
+ * \brief Defines the indices required for the two-phase n-component
+ * fully implicit model.
+ */
+#ifndef DUMUX_2PNC_INDICES_HH
+#define DUMUX_2PNC_INDICES_HH
+#include "properties.hh"
+namespace Dumux
+{
+/*!
+ * \ingroup TwoPNCModel
+ * \ingroup ImplicitIndices
+ * \brief Enumerates the formulations which the two-phase n-component model accepts.
+ *
+ */
+struct TwoPNCFormulation//TODO: This might need to be change similar to 2p2c indices
+{
+ enum {
+ plSg,
+ pgSl,
+ pnSw = pgSl,
+ pwSn = plSg
+ };
+};
+
+/*!
+ * \ingroup TwoPNCModel
+ * \ingroup ImplicitIndices
+ * \brief The indices for the isothermal two-phase n-component model.
+ *
+ * \tparam PVOffset The first index in a primary variable vector.
+ */
+template <class TypeTag, int PVOffset = 0>
+class TwoPNCIndices
+{
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+
+public:
+ // Phase indices
+ static const int wPhaseIdx = FluidSystem::wPhaseIdx; //!< Index of the wetting phase
+ static const int nPhaseIdx = FluidSystem::nPhaseIdx; //!< Index of the non-wetting phase
+ // present phases (-> 'pseudo' primary variable)
+ static const int wPhaseOnly = 1; //!< Only the non-wetting phase is present
+ static const int nPhaseOnly = 2; //!< Only the wetting phase is present
+ static const int bothPhases = 3; //!< Both phases are present
+
+ // Primary variable indices
+ static const int pressureIdx = PVOffset + 0; //!< Index for wetting/non-wetting phase pressure (depending on formulation) in a solution vector
+ static const int switchIdx = PVOffset + 1; //!< Index of the either the saturation or the mass fraction of the non-wetting/wetting phase
+ // equation indices
+ static const int conti0EqIdx = PVOffset + 0; //!< Reference index for mass conservation equations.
+ static const int contiWEqIdx = conti0EqIdx + FluidSystem::wCompIdx; //!< Index of the mass conservation equation for the wetting phase major component
+ static const int contiNEqIdx = conti0EqIdx + FluidSystem::nCompIdx; //!< Index of the mass conservation equation for the non-wetting phase major component
+};
+
+// \}
+
+}
+
+#endif
diff --git a/dumux/porousmediumflow/2pnc/implicit/localresidual.hh b/dumux/porousmediumflow/2pnc/implicit/localresidual.hh
new file mode 100644
index 0000000000..bddf0fe962
--- /dev/null
+++ b/dumux/porousmediumflow/2pnc/implicit/localresidual.hh
@@ -0,0 +1,349 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ *
+ * \brief Element-wise calculation of the Jacobian matrix for problems
+ * using the two-phase n-component box model.
+ */
+
+#ifndef DUMUX_2PNC_LOCAL_RESIDUAL_BASE_HH
+#define DUMUX_2PNC_LOCAL_RESIDUAL_BASE_HH
+
+#include "properties.hh"
+#include "volumevariables.hh"
+#include <dumux/nonlinear/newtoncontroller.hh>
+
+#include <iostream>
+#include <vector>
+
+namespace Dumux
+{
+/*!
+ * \ingroup TwoPNCModel
+ * \ingroup ImplicitLocalResidual
+ * \brief Element-wise calculation of the Jacobian matrix for problems
+ * using the two-phase n-component fully implicit box model.
+ *
+ * This class is used to fill the gaps in ImplicitLocalResidual for the two-phase n-component flow.
+ */
+template<class TypeTag>
+class TwoPNCLocalResidual: public GET_PROP_TYPE(TypeTag, BaseLocalResidual)
+{
+protected:
+ typedef TwoPNCLocalResidual<TypeTag> ThisType;
+ typedef typename GET_PROP_TYPE(TypeTag, LocalResidual) Implementation;
+ typedef BoxLocalResidual<TypeTag> ParentType;
+
+ typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
+ typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
+
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+
+ typedef typename GET_PROP_TYPE(TypeTag, SolutionVector) SolutionVector;
+ typedef typename GET_PROP_TYPE(TypeTag, ElementSolutionVector) ElementSolutionVector;
+ typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, BoundaryTypes) BoundaryTypes;
+
+ typedef CompositionalFluidState<Scalar, FluidSystem> FluidState;
+ typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
+
+ enum
+ {
+ dim = GridView::dimension,
+ dimWorld = GridView::dimensionworld,
+
+ numEq = GET_PROP_VALUE(TypeTag, NumEq),
+ numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
+ numComponents = GET_PROP_VALUE(TypeTag, NumComponents),
+
+ replaceCompEqIdx = GET_PROP_VALUE(TypeTag, ReplaceCompEqIdx),
+
+ pressureIdx = Indices::pressureIdx,
+ switchIdx = Indices::switchIdx,
+
+ wPhaseIdx = FluidSystem::wPhaseIdx,
+ nPhaseIdx = FluidSystem::nPhaseIdx,
+
+ wCompIdx = FluidSystem::wCompIdx,
+ nCompIdx = FluidSystem::nCompIdx,
+
+ conti0EqIdx = Indices::conti0EqIdx,
+
+ wPhaseOnly = Indices::wPhaseOnly,
+ nPhaseOnly = Indices::nPhaseOnly,
+ bothPhases = Indices::bothPhases,
+
+ plSg = TwoPNCFormulation::plSg,
+ pgSl = TwoPNCFormulation::pgSl,
+ formulation = GET_PROP_VALUE(TypeTag, Formulation)
+ };
+
+ typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, ElementBoundaryTypes) ElementBoundaryTypes;
+ typedef typename GET_PROP_TYPE(TypeTag, FluxVariables) FluxVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, SpatialParams) SpatialParams;
+ typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
+
+
+ typedef typename GridView::template Codim<0>::Entity Element;
+ typedef typename GridView::ctype CoordScalar;
+
+
+public:
+ /*!
+ * \brief Constructor. Sets the upwind weight.
+ */
+ TwoPNCLocalResidual()
+ {
+ // retrieve the upwind weight for the mass conservation equations. Use the value
+ // specified via the property system as default, and overwrite
+ // it by the run-time parameter from the Dune::ParameterTree
+ massUpwindWeight_ = GET_PARAM_FROM_GROUP(TypeTag, Scalar, Implicit, MassUpwindWeight);
+ };
+
+ /*!
+ * \brief Evaluate the storage term of the current solution in a
+ * single phase.
+ *
+ * \param element The element
+ * \param phaseIdx The index of the fluid phase
+ */
+ void evalPhaseStorage(const Element &element, int phaseIdx)
+ {
+ FVElementGeometry fvGeometry;
+ fvGeometry.update(this->gridView_(), element);
+ ElementBoundaryTypes bcTypes;
+ bcTypes.update(this->problem_(), element, fvGeometry);
+ ElementVolumeVariables volVars;
+ volVars.update(this->problem_(), element, fvGeometry, false);
+
+ this->residual_.resize(fvGeometry.numScv);
+ this->residual_ = 0;
+
+ this->elemPtr_ = &element;
+ this->fvElemGeomPtr_ = &fvGeometry;
+ this->bcTypesPtr_ = &bcTypes;
+ this->prevVolVarsPtr_ = 0;
+ this->curVolVarsPtr_ = &volVars;
+ evalPhaseStorage_(phaseIdx);
+ }
+
+ /*!
+ * \brief Evaluate the amount all conservation quantities
+ * (e.g. phase mass) within a sub-control volume.
+ *
+ * The result should be averaged over the volume (e.g. phase mass
+ * inside a sub control volume divided by the volume)
+ *
+ * \param storage the mass of the component within the sub-control volume
+ * \param scvIdx The SCV (sub-control-volume) index
+ * \param usePrevSol Evaluate function with solution of current or previous time step
+ */
+ void computeStorage(PrimaryVariables &storage, int scvIdx, bool usePrevSol) const
+ {
+ // if flag usePrevSol is set, the solution from the previous
+ // time step is used, otherwise the current solution is
+ // used. The secondary variables are used accordingly. This
+ // is required to compute the derivative of the storage term
+ // using the implicit euler method.
+ const ElementVolumeVariables &elemVolVars = usePrevSol ? this->prevVolVars_()
+ : this->curVolVars_();
+ const VolumeVariables &volVars = elemVolVars[scvIdx];
+
+ // Compute storage term of all fluid components in the fluid phases
+ storage = 0;
+ for (unsigned int phaseIdx = 0; phaseIdx < numPhases /*+ numSPhases*/; ++phaseIdx)
+ {
+ //if(phaseIdx< numPhases)
+ //{
+ for (unsigned int compIdx = 0; compIdx < numComponents; ++compIdx) //H2O, Air, Salt
+ {
+ int eqIdx = conti0EqIdx + compIdx;
+ if (replaceCompEqIdx != eqIdx)
+ {
+ storage[eqIdx] += volVars.molarDensity(phaseIdx)
+ * volVars.saturation(phaseIdx)
+ * volVars.moleFraction(phaseIdx, compIdx)
+ * volVars.porosity();
+ }
+ else
+ {
+ storage[replaceCompEqIdx] += volVars.molarDensity(phaseIdx)
+ * volVars.saturation(phaseIdx)
+ * volVars.porosity();
+ }
+ }
+ }
+ Valgrind::CheckDefined(storage);
+ }
+ /*!
+ * \brief Evaluates the total flux of all conservation quantities
+ * over a face of a sub-control volume.
+ *
+ * \param flux The flux over the sub-control-volume face for each component
+ * \param fIdx The index of the sub-control-volume face
+ * \param onBoundary Evaluate flux at inner sub-control-volume face or on a boundary face
+ */
+ void computeFlux(PrimaryVariables &flux, const int fIdx, bool onBoundary = false) const
+ {
+ FluxVariables fluxVars(this->problem_(),
+ this->element_(),
+ this->fvGeometry_(),
+ fIdx,
+ this->curVolVars_(),
+ onBoundary);
+
+ flux = 0;
+ asImp_()->computeAdvectiveFlux(flux, fluxVars);
+ asImp_()->computeDiffusiveFlux(flux, fluxVars);
+ Valgrind::CheckDefined(flux);
+ }
+ /*!
+ * \brief Evaluates the advective mass flux of all components over
+ * a face of a subcontrol volume.
+ *
+ * \param flux The advective flux over the sub-control-volume face for each component
+ * \param fluxVars The flux variables at the current SCV
+ */
+ void computeAdvectiveFlux(PrimaryVariables &flux, const FluxVariables &fluxVars) const
+ {
+ ////////
+ // advective fluxes of all components in all phases
+ ////////
+ for (unsigned int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ {
+ // data attached to upstream and the downstream vertices
+ // of the current phase
+ const VolumeVariables &up = this->curVolVars_(fluxVars.upstreamIdx(phaseIdx));
+ const VolumeVariables &dn = this->curVolVars_(fluxVars.downstreamIdx(phaseIdx));
+
+ for (unsigned int compIdx = 0; compIdx < numComponents; ++compIdx)
+ {
+ // add advective flux of current component in current
+ // phase
+ unsigned int eqIdx = conti0EqIdx + compIdx;
+
+ if (eqIdx != replaceCompEqIdx)
+ {
+ // upstream vertex
+ flux[eqIdx] += fluxVars.KmvpNormal(phaseIdx)
+ * (massUpwindWeight_
+ * up.mobility(phaseIdx)
+ * up.molarDensity(phaseIdx)
+ * up.moleFraction(phaseIdx, compIdx)
+ +
+ (1.0 - massUpwindWeight_)
+ * dn.mobility(phaseIdx)
+ * dn.molarDensity(phaseIdx)
+ * dn.moleFraction(phaseIdx, compIdx));
+
+ Valgrind::CheckDefined(fluxVars.KmvpNormal(phaseIdx));
+ Valgrind::CheckDefined(up.molarDensity(phaseIdx));
+ Valgrind::CheckDefined(dn.molarDensity(phaseIdx));
+ }
+ else
+ {
+ flux[replaceCompEqIdx] += fluxVars.KmvpNormal(phaseIdx)
+ * (massUpwindWeight_
+ * up.molarDensity(phaseIdx)
+ * up.mobility(phaseIdx)
+ +
+ (1.0 - massUpwindWeight_)
+ * dn.molarDensity(phaseIdx)
+ * dn.mobility(phaseIdx));
+
+
+ Valgrind::CheckDefined(fluxVars.KmvpNormal(phaseIdx));
+ Valgrind::CheckDefined(up.molarDensity(phaseIdx));
+ Valgrind::CheckDefined(dn.molarDensity(phaseIdx));
+ }
+ }
+ }
+ }
+
+ /*!
+ * \brief Evaluates the diffusive mass flux of all components over
+ * a face of a sub-control volume.
+ *
+ * \param flux The flux over the sub-control-volume face for each component
+ * \param fluxVars The flux variables at the current sub-control-volume face
+ */
+ void computeDiffusiveFlux(PrimaryVariables &flux, const FluxVariables &fluxVars) const
+ {
+ //Loop calculates the diffusive flux for every component in a phase. The amount of moles of a component
+ //(eg Air in liquid) in a phase
+ //which is not the main component (eg. H2O in the liquid phase) moved from i to j equals the amount of moles moved
+ //from the main component in a phase (eg. H2O in the liquid phase) from j to i. So two fluxes in each component loop
+ // are calculated in the same phase.
+
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx)
+ {
+ //add diffusive fluxes only to the component balances
+ if (replaceCompEqIdx != (conti0EqIdx + compIdx))
+ {
+ Scalar diffCont = - fluxVars.porousDiffCoeff(phaseIdx ,compIdx)
+ * fluxVars.molarDensity(phaseIdx)
+ * (fluxVars.moleFractionGrad(phaseIdx, compIdx)
+ * fluxVars.face().normal);
+ flux[conti0EqIdx + compIdx] += diffCont;
+ flux[conti0EqIdx + phaseIdx] -= diffCont;
+ }
+ }
+ }
+
+protected:
+
+ void evalPhaseStorage_(int phaseIdx)
+ {
+ // evaluate the storage terms of a single phase
+ for (int i=0; i < this->fvGeometry_().numScv; i++)
+ {
+ PrimaryVariables &result = this->residual_[i];
+ const ElementVolumeVariables &elemVolVars = this->curVolVars_();
+ const VolumeVariables &volVars = elemVolVars[i];
+
+ // compute storage term of all fluid components within all phases
+ result = 0;
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx)
+ {
+ result[conti0EqIdx + compIdx] += volVars.density(phaseIdx)
+ * volVars.saturation(phaseIdx)
+ * volVars.massFraction(phaseIdx, compIdx)
+ * volVars.porosity();
+ }
+ result *= this->fvGeometry_().subContVol[i].volume;
+ }
+ }
+
+ Implementation *asImp_()
+ { return static_cast<Implementation *> (this); }
+ const Implementation *asImp_() const
+ { return static_cast<const Implementation *> (this); }
+
+public:
+ Scalar massUpwindWeight_;
+};
+
+} // end namespace
+
+#endif
diff --git a/dumux/porousmediumflow/2pnc/implicit/model.hh b/dumux/porousmediumflow/2pnc/implicit/model.hh
new file mode 100644
index 0000000000..7daf35faac
--- /dev/null
+++ b/dumux/porousmediumflow/2pnc/implicit/model.hh
@@ -0,0 +1,741 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+* \file
+*
+* \brief Adaption of the fully implicit box scheme to the two-phase n-component flow model.
+*/
+
+#ifndef DUMUX_2PNC_MODEL_HH
+#define DUMUX_2PNC_MODEL_HH
+
+#include <dumux/porousmediumflow/implicit/velocityoutput.hh>
+
+#include "properties.hh"
+#include "indices.hh"
+#include "localresidual.hh"
+
+namespace Dumux
+{
+/*!
+ * \ingroup TwoPNCModel
+ * \brief Adaption of the fully implicit scheme to the
+ * two-phase n-component fully implicit model.
+ *
+ * This model implements two-phase n-component flow of two compressible and
+ * partially miscible fluids \f$\alpha \in \{ w, n \}\f$ composed of the n components
+ * \f$\kappa \in \{ w, a,\cdots \}\f$. The standard multiphase Darcy
+ * approach is used as the equation for the conservation of momentum:
+ * \f[
+ v_\alpha = - \frac{k_{r\alpha}}{\mu_\alpha} \mbox{\bf K}
+ \left(\text{grad}\, p_\alpha - \varrho_{\alpha} \mbox{\bf g} \right)
+ * \f]
+ *
+ * By inserting this into the equations for the conservation of the
+ * components, one gets one transport equation for each component
+ * \f{eqnarray}
+ && \phi \frac{\partial (\sum_\alpha \varrho_\alpha X_\alpha^\kappa S_\alpha )}
+ {\partial t}
+ - \sum_\alpha \text{div} \left\{ \varrho_\alpha X_\alpha^\kappa
+ \frac{k_{r\alpha}}{\mu_\alpha} \mbox{\bf K}
+ (\text{grad}\, p_\alpha - \varrho_{\alpha} \mbox{\bf g}) \right\}
+ \nonumber \\ \nonumber \\
+ &-& \sum_\alpha \text{div} \left\{{\bf D_{\alpha, pm}^\kappa} \varrho_{\alpha} \text{grad}\, X^\kappa_{\alpha} \right\}
+ - \sum_\alpha q_\alpha^\kappa = 0 \qquad \kappa \in \{w, a,\cdots \} \, ,
+ \alpha \in \{w, g\}
+ \f}
+ *
+ * All equations are discretized using a vertex-centered finite volume (box)
+ * or cell-centered finite volume scheme (this is not done for 2pnc approach yet, however possible) as
+ * spatial and the implicit Euler method as time discretization.
+ *
+ * By using constitutive relations for the capillary pressure \f$p_c =
+ * p_n - p_w\f$ and relative permeability \f$k_{r\alpha}\f$ and taking
+ * advantage of the fact that \f$S_w + S_n = 1\f$ and \f$X^\kappa_w + X^\kappa_n = 1\f$, the number of
+ * unknowns can be reduced to number of components.
+ *
+ * The used primary variables are, like in the two-phase model, either \f$p_w\f$ and \f$S_n\f$
+ * or \f$p_n\f$ and \f$S_w\f$. The formulation which ought to be used can be
+ * specified by setting the <tt>Formulation</tt> property to either
+ * TwoPTwoCIndices::pWsN or TwoPTwoCIndices::pNsW. By
+ * default, the model uses \f$p_w\f$ and \f$S_n\f$.
+ *
+ * Moreover, the second primary variable depends on the phase state, since a
+ * primary variable switch is included. The phase state is stored for all nodes
+ * of the system. The model is uses mole fractions.
+ *Following cases can be distinguished:
+ * <ul>
+ * <li> Both phases are present: The saturation is used (either \f$S_n\f$ or \f$S_w\f$, dependent on the chosen <tt>Formulation</tt>),
+ * as long as \f$ 0 < S_\alpha < 1\f$</li>.
+ * <li> Only wetting phase is present: The mass fraction of, e.g., air in the wetting phase \f$X^a_w\f$ is used,
+ * as long as the maximum mass fraction is not exceeded (\f$X^a_w<X^a_{w,max}\f$)</li>
+ * <li> Only non-wetting phase is present: The mass fraction of, e.g., water in the non-wetting phase, \f$X^w_n\f$, is used,
+ * as long as the maximum mass fraction is not exceeded (\f$X^w_n<X^w_{n,max}\f$)</li>
+ * </ul>
+ */
+
+template<class TypeTag>
+class TwoPNCModel: public GET_PROP_TYPE(TypeTag, BaseModel)
+{
+ typedef typename GET_PROP_TYPE(TypeTag, BaseModel) ParentType;
+
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+ typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
+
+ typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
+ typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, SolutionVector) SolutionVector;
+ typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
+
+ enum { dim = GridView::dimension };
+ enum { dimWorld = GridView::dimensionworld };
+
+ enum { numEq = GET_PROP_VALUE(TypeTag, NumEq) };
+ enum { numPhases = GET_PROP_VALUE(TypeTag, NumPhases) };
+ enum { numComponents = GET_PROP_VALUE(TypeTag, NumComponents) };
+ enum { numMajorComponents = GET_PROP_VALUE(TypeTag, NumMajorComponents) };
+
+ enum {
+ pressureIdx = Indices::pressureIdx,
+ switchIdx = Indices::switchIdx
+ };
+ enum {
+ wPhaseIdx = Indices::wPhaseIdx,
+ nPhaseIdx = Indices::nPhaseIdx
+ };
+ enum {
+ wCompIdx = FluidSystem::wCompIdx,
+ nCompIdx = FluidSystem::nCompIdx
+ };
+ enum {
+ wPhaseOnly = Indices::wPhaseOnly,
+ nPhaseOnly = Indices::nPhaseOnly,
+ bothPhases = Indices::bothPhases
+ };
+ enum {
+ plSg = TwoPNCFormulation::plSg,
+ pgSl = TwoPNCFormulation::pgSl,
+ formulation = GET_PROP_VALUE(TypeTag, Formulation)
+ };
+
+ typedef CompositionalFluidState<Scalar, FluidSystem> FluidState;
+
+ typedef typename GridView::template Codim<dim>::Entity Vertex;
+ typedef typename GridView::template Codim<0>::Entity Element;
+
+ typedef Dune::FieldVector<Scalar, dimWorld> GlobalPosition;
+ typedef typename GridView::ctype CoordScalar;
+ typedef Dune::FieldMatrix<CoordScalar, dimWorld, dimWorld> Tensor;
+
+ enum { isBox = GET_PROP_VALUE(TypeTag, ImplicitIsBox) };
+ enum { dofCodim = isBox ? dim : 0 };
+
+public:
+ /*!
+ * \brief Initialize the static data with the initial solution.
+ *
+ * \param problem The problem to be solved
+ */
+ void init(Problem &problem)
+ {
+ ParentType::init(problem);
+
+ unsigned numDofs = this->numDofs();
+
+ staticDat_.resize(numDofs);
+
+ setSwitched_(false);
+
+ for (const auto& element : Dune::elements(this->gridView_()))
+ {
+ if (!isBox) // i.e. cell-centered discretization
+ {
+ int dofIdxGlobal = this->dofMapper().index(element);
+ const GlobalPosition &globalPos = element.geometry().center();
+
+ // initialize phase presence
+ staticDat_[dofIdxGlobal].phasePresence
+ = this->problem_().initialPhasePresence(*(this->gridView_().template begin<dim>()),
+ dofIdxGlobal, globalPos);
+ staticDat_[dofIdxGlobal].wasSwitched = false;
+
+ staticDat_[dofIdxGlobal].oldPhasePresence
+ = staticDat_[dofIdxGlobal].phasePresence;
+ }
+ }
+
+ if (isBox) // i.e. vertex-centered discretization
+ {
+ for (const auto& vertex : Dune::vertices(this->gridView_()))
+ {
+ int dofIdxGlobal = this->dofMapper().index(vertex);
+ const GlobalPosition &globalPos = vertex.geometry().corner(0);
+
+ // initialize phase presence
+ staticDat_[dofIdxGlobal].phasePresence
+ = this->problem_().initialPhasePresence(vertex, dofIdxGlobal,
+ globalPos);
+ staticDat_[dofIdxGlobal].wasSwitched = false;
+
+ staticDat_[dofIdxGlobal].oldPhasePresence
+ = staticDat_[dofIdxGlobal].phasePresence;
+ }
+ }
+ }
+
+ /*!
+ * \brief Compute the total storage of all conservation quantities in one phase
+ *
+ * \param storage Contains the storage of each component in one phase
+ * \param phaseIdx The phase index
+ */
+ void globalPhaseStorage(PrimaryVariables &storage, int phaseIdx)
+ {
+ storage = 0;
+
+ for (const auto& element : Dune::elements(this->gridView_()))
+ {
+ if(element.partitionType() == Dune::InteriorEntity)
+ {
+ this->localResidual().evalPhaseStorage(element, phaseIdx);
+
+ for (unsigned int i = 0; i < this->localResidual().storageTerm().size(); ++i)
+ storage += this->localResidual().storageTerm()[i];
+ }
+ }
+
+ this->gridView_().comm().sum(storage);
+ }
+
+ /*!
+ * \brief Called by the update() method if applying the newton
+ * method was unsuccessful.
+ */
+ void updateFailed()
+ {
+ ParentType::updateFailed();
+
+ setSwitched_(false);
+ resetPhasePresence_();
+ }
+
+ /*!
+ * \brief Called by the problem if a time integration was
+ * successful, post processing of the solution is done and the
+ * result has been written to disk.
+ *
+ * This should prepare the model for the next time integration.
+ */
+ void advanceTimeLevel()
+ {
+ ParentType::advanceTimeLevel();
+
+ // update the phase state
+ updateOldPhasePresence_();
+ setSwitched_(false);
+ }
+
+ /*!
+ * \brief Return true if the primary variables were switched for
+ * at least one vertex after the last timestep.
+ */
+ bool switched() const
+ {
+ return switchFlag_;
+ }
+
+ /*!
+ * \brief Returns the phase presence of the current or the old solution of a vertex.
+ *
+ * \param globalVertexIdx The global vertex index
+ * \param oldSol Evaluate function with solution of current or previous time step
+ */
+ int phasePresence(int globalVertexIdx, bool oldSol) const
+ {
+ return oldSol ? staticDat_[globalVertexIdx].oldPhasePresence
+ : staticDat_[globalVertexIdx].phasePresence;
+ }
+
+ /*!
+ * \brief Append all quantities of interest which can be derived
+ * from the solution of the current time step to the VTK
+ * writer.
+ *
+ * \param sol The solution vector
+ * \param writer The writer for multi-file VTK datasets
+ */
+ template<class MultiWriter>
+ void addOutputVtkFields(const SolutionVector &sol,
+ MultiWriter &writer)
+ {
+
+ typedef Dune::BlockVector<Dune::FieldVector<Scalar, 1> > ScalarField;
+ typedef Dune::BlockVector<Dune::FieldVector<Scalar, dim> > VectorField;
+
+ // get the number of degrees of freedom
+ unsigned numDofs = this->numDofs();
+
+ ScalarField *Sg = writer.allocateManagedBuffer (numDofs);
+ ScalarField *Sl = writer.allocateManagedBuffer (numDofs);
+ ScalarField *pg = writer.allocateManagedBuffer (numDofs);
+ ScalarField *pl = writer.allocateManagedBuffer (numDofs);
+ ScalarField *pc = writer.allocateManagedBuffer (numDofs);
+ ScalarField *rhoL = writer.allocateManagedBuffer (numDofs);
+ ScalarField *rhoG = writer.allocateManagedBuffer (numDofs);
+ ScalarField *mobL = writer.allocateManagedBuffer (numDofs);
+ ScalarField *mobG = writer.allocateManagedBuffer (numDofs);
+ ScalarField *temperature = writer.allocateManagedBuffer (numDofs);
+ ScalarField *poro = writer.allocateManagedBuffer (numDofs);
+ ScalarField *boxVolume = writer.allocateManagedBuffer (numDofs);
+ VectorField *velocityN = writer.template allocateManagedBuffer<double, dim>(numDofs);
+ VectorField *velocityW = writer.template allocateManagedBuffer<double, dim>(numDofs);
+ ImplicitVelocityOutput<TypeTag> velocityOutput(this->problem_());
+
+ if (velocityOutput.enableOutput()) // check if velocity output is demanded
+ {
+ // initialize velocity fields
+ for (unsigned int i = 0; i < numDofs; ++i)
+ {
+ (*velocityN)[i] = Scalar(0);
+ (*velocityW)[i] = Scalar(0);
+ }
+ }
+
+ ScalarField *moleFraction[numPhases][numComponents];
+ for (int i = 0; i < numPhases; ++i)
+ for (int j = 0; j < numComponents; ++j)
+ moleFraction[i][j] = writer.allocateManagedBuffer(numDofs);
+
+ ScalarField *molarity[numComponents];
+ for (int j = 0; j < numComponents ; ++j)
+ molarity[j] = writer.allocateManagedBuffer(numDofs);
+
+ ScalarField *Perm[dim];
+ for (int j = 0; j < dim; ++j) //Permeability only in main directions xx and yy
+ Perm[j] = writer.allocateManagedBuffer(numDofs);
+
+ *boxVolume = 0;
+
+ unsigned numElements = this->gridView_().size(0);
+ ScalarField *rank = writer.allocateManagedBuffer (numElements);
+
+ FVElementGeometry fvGeometry;
+ VolumeVariables volVars;
+ ElementVolumeVariables elemVolVars;
+
+ for (const auto& element : Dune::elements(this->gridView_()))
+ {
+ int eIdxGlobal = this->problem_().elementMapper().index(element);
+ (*rank)[eIdxGlobal] = this->gridView_().comm().rank();
+ fvGeometry.update(this->gridView_(), element);
+
+ elemVolVars.update(this->problem_(),
+ element,
+ fvGeometry,
+ false /* oldSol? */);
+
+ for (int scvIdx = 0; scvIdx < fvGeometry.numScv; ++scvIdx)
+ {
+ int dofIdxGlobal = this->dofMapper().subIndex(element, scvIdx, dofCodim);
+
+ volVars.update(sol[dofIdxGlobal],
+ this->problem_(),
+ element,
+ fvGeometry,
+ scvIdx,
+ false);
+
+ GlobalPosition globalPos = fvGeometry.subContVol[scvIdx].global;
+ (*Sg)[dofIdxGlobal] = elemVolVars[scvIdx].saturation(nPhaseIdx);
+ (*Sl)[dofIdxGlobal] = elemVolVars[scvIdx].saturation(wPhaseIdx);
+ (*pg)[dofIdxGlobal] = elemVolVars[scvIdx].pressure(nPhaseIdx);
+ (*pl)[dofIdxGlobal] = elemVolVars[scvIdx].pressure(wPhaseIdx);
+ (*pc)[dofIdxGlobal] = elemVolVars[scvIdx].capillaryPressure();
+ (*rhoL)[dofIdxGlobal] = elemVolVars[scvIdx].density(wPhaseIdx);
+ (*rhoG)[dofIdxGlobal] = elemVolVars[scvIdx].density(nPhaseIdx);
+ (*mobL)[dofIdxGlobal] = elemVolVars[scvIdx].mobility(wPhaseIdx);
+ (*mobG)[dofIdxGlobal] = elemVolVars[scvIdx].mobility(nPhaseIdx);
+ (*boxVolume)[dofIdxGlobal] += fvGeometry.subContVol[scvIdx].volume;
+ (*poro)[dofIdxGlobal] = elemVolVars[scvIdx].porosity();
+ (*temperature)[dofIdxGlobal] = elemVolVars[scvIdx].temperature();
+
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ {
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx)
+ {
+ (*moleFraction[phaseIdx][compIdx])[dofIdxGlobal]= volVars.moleFraction(phaseIdx,compIdx);
+ Valgrind::CheckDefined((*moleFraction[phaseIdx][compIdx])[dofIdxGlobal]);
+ }
+ }
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx)
+ (*molarity[compIdx])[dofIdxGlobal] = (volVars.molarity(wPhaseIdx, compIdx));
+
+ Tensor K = perm_(this->problem_().spatialParams().intrinsicPermeability(element, fvGeometry, scvIdx));
+
+ for (int j = 0; j<dim; ++j)
+ (*Perm[j])[dofIdxGlobal] = K[j][j] /* volVars.permFactor()*/;
+ };
+
+ // velocity output
+ if(velocityOutput.enableOutput()){
+ velocityOutput.calculateVelocity(*velocityW, elemVolVars, fvGeometry, element, wPhaseIdx);
+ velocityOutput.calculateVelocity(*velocityN, elemVolVars, fvGeometry, element, nPhaseIdx);
+ }
+
+ } // loop over element
+
+ writer.attachDofData(*Sg, "Sg", isBox);
+ writer.attachDofData(*Sl, "Sl", isBox);
+ writer.attachDofData(*pg, "pg", isBox);
+ writer.attachDofData(*pl, "pl", isBox);
+ writer.attachDofData(*pc, "pc", isBox);
+ writer.attachDofData(*rhoL, "rhoL", isBox);
+ writer.attachDofData(*rhoG, "rhoG", isBox);
+ writer.attachDofData(*mobL, "mobL", isBox);
+ writer.attachDofData(*mobG, "mobG", isBox);
+ writer.attachDofData(*poro, "porosity", isBox);
+ writer.attachDofData(*temperature, "temperature", isBox);
+ writer.attachDofData(*boxVolume, "boxVolume", isBox);
+ writer.attachDofData(*Perm[0], "Kxx", isBox);
+ if (dim >= 2)
+ writer.attachDofData(*Perm[1], "Kyy", isBox);
+ if (dim == 3)
+ writer.attachDofData(*Perm[2], "Kzz", isBox);
+
+ for (int i = 0; i < numPhases; ++i)
+ {
+ for (int j = 0; j < numComponents; ++j)
+ {
+ std::ostringstream oss;
+ oss << "x"
+ << FluidSystem::componentName(j)
+ << FluidSystem::phaseName(i);
+ writer.attachDofData(*moleFraction[i][j], oss.str().c_str(), isBox);
+ }
+ }
+
+ for (int j = 0; j < numComponents; ++j)
+ {
+ std::ostringstream oss;
+ oss << "m^w_"
+ << FluidSystem::componentName(j);
+ writer.attachDofData(*molarity[j], oss.str().c_str(), isBox);
+ }
+
+ if (velocityOutput.enableOutput()) // check if velocity output is demanded
+ {
+ writer.attachDofData(*velocityW, "velocityW", isBox, dim);
+ writer.attachDofData(*velocityN, "velocityN", isBox, dim);
+ }
+
+ writer.attachCellData(*rank, "process rank");
+ }
+
+ /*!
+ * \brief Write the current solution to a restart file.
+ *
+ * \param outStream The output stream of one vertex for the restart file
+ * \param entity The Entity
+ */
+ template<class Entity>
+ void serializeEntity(std::ostream &outStream, const Entity &entity)
+ {
+ // write primary variables
+ ParentType::serializeEntity(outStream, entity);
+ int dofIdxGlobal = this->dofMapper().index(entity);
+
+ if (!outStream.good())
+ DUNE_THROW(Dune::IOError, "Could not serialize vertex " << dofIdxGlobal);
+
+ outStream << staticDat_[dofIdxGlobal].phasePresence << " ";
+ }
+
+ /*!
+ * \brief Reads the current solution for a vertex from a restart
+ * file.
+ *
+ * \param inStream The input stream of one vertex from the restart file
+ * \param entity The Entity
+ */
+ template<class Entity>
+ void deserializeEntity(std::istream &inStream, const Entity &entity)
+ {
+ // read primary variables
+ ParentType::deserializeEntity(inStream, entity);
+ int dofIdxGlobal = this->dofMapper().index(entity);
+
+ if (!inStream.good())
+ DUNE_THROW(Dune::IOError,
+ "Could not deserialize vertex " << dofIdxGlobal);
+
+ inStream >> staticDat_[dofIdxGlobal].phasePresence;
+ staticDat_[dofIdxGlobal].oldPhasePresence
+ = staticDat_[dofIdxGlobal].phasePresence;
+
+ }
+
+ /*!
+ * \brief Update the static data of all vertices in the grid.
+ *
+ * \param curGlobalSol The current global solution
+ * \param oldGlobalSol The previous global solution
+ */
+ void updateStaticData(SolutionVector &curGlobalSol,
+ const SolutionVector &oldGlobalSol)
+ {
+ bool wasSwitched = false;
+
+ for (unsigned i = 0; i < staticDat_.size(); ++i)
+ staticDat_[i].visited = false;
+
+ FVElementGeometry fvGeometry;
+ static VolumeVariables volVars;
+ for (const auto& element : Dune::elements(this->gridView_()))
+ {
+ fvGeometry.update(this->gridView_(), element);
+ for (int scvIdx = 0; scvIdx < fvGeometry.numScv; ++scvIdx)
+ {
+ int dofIdxGlobal = this->dofMapper().subIndex(element, scvIdx, dim);
+
+ if (staticDat_[dofIdxGlobal].visited)
+ continue;
+
+ staticDat_[dofIdxGlobal].visited = true;
+ volVars.update(curGlobalSol[dofIdxGlobal],
+ this->problem_(),
+ element,
+ fvGeometry,
+ scvIdx,
+ false);
+ const GlobalPosition &global = element.geometry().corner(scvIdx);
+ if (primaryVarSwitch_(curGlobalSol, volVars, dofIdxGlobal, global))
+ wasSwitched = true;
+ }
+ }
+
+ // make sure that if there was a variable switch in an
+ // other partition we will also set the switch flag
+ // for our partition.
+ wasSwitched = this->gridView_().comm().max(wasSwitched);
+
+ setSwitched_(wasSwitched);
+ }
+
+protected:
+ /*!
+ * \brief Data which is attached to each vertex and is not only
+ * stored locally.
+ */
+ struct StaticVars
+ {
+ int phasePresence;
+ bool wasSwitched;
+
+ int oldPhasePresence;
+ bool visited;
+ };
+
+ Tensor perm_(Scalar perm)
+ {
+ Tensor K(0.0);
+
+ for(int i=0; i<dim; i++)
+ K[i][i] = perm;
+
+ return K;
+ }
+
+ Tensor perm_(Tensor perm)
+ {
+ return perm;
+ }
+
+ /*!
+ * \brief Reset the current phase presence of all vertices to the old one.
+ *
+ * This is done after an update failed.
+ */
+ void resetPhasePresence_()
+ {
+ int numDofs = this->gridView_().size(dim);
+ for (int i = 0; i < numDofs; ++i)
+ {
+ staticDat_[i].phasePresence
+ = staticDat_[i].oldPhasePresence;
+ staticDat_[i].wasSwitched = false;
+ }
+ }
+
+ /*!
+ * \brief Set the old phase of all verts state to the current one.
+ */
+ void updateOldPhasePresence_()
+ {
+ int numDofs = this->gridView_().size(dim);
+ for (int i = 0; i < numDofs; ++i)
+ {
+ staticDat_[i].oldPhasePresence
+ = staticDat_[i].phasePresence;
+ staticDat_[i].wasSwitched = false;
+ }
+ }
+
+ /*!
+ * \brief Set whether there was a primary variable switch after in
+ * the last timestep.
+ */
+ void setSwitched_(bool yesno)
+ {
+ switchFlag_ = yesno;
+ }
+
+ // perform variable switch at a vertex; Returns true if a
+ // variable switch was performed.
+ bool primaryVarSwitch_(SolutionVector &globalSol,
+ const VolumeVariables &volVars, int dofIdxGlobal,
+ const GlobalPosition &globalPos)
+ {
+
+ // evaluate primary variable switch
+ bool wouldSwitch = false;
+ int phasePresence = staticDat_[dofIdxGlobal].phasePresence;
+ int newPhasePresence = phasePresence;
+
+ //check if a primary variable switch is necessary
+ if (phasePresence == bothPhases)
+ {
+ Scalar Smin = 0; //saturation threshold
+ if (staticDat_[dofIdxGlobal].wasSwitched)
+ Smin = -0.01;
+
+ //if saturation of liquid phase is smaller 0 switch
+ if (volVars.saturation(wPhaseIdx) <= Smin)
+ {
+ wouldSwitch = true;
+ //liquid phase has to disappear
+ std::cout << "Liquid Phase disappears at vertex " << dofIdxGlobal
+ << ", coordinated: " << globalPos << ", Sl: "
+ << volVars.saturation(wPhaseIdx) << std::endl;
+ newPhasePresence = nPhaseOnly;
+
+ //switch not depending on formulation
+ //switch "Sl" to "xgH20"
+ globalSol[dofIdxGlobal][switchIdx]
+ = volVars.moleFraction(nPhaseIdx, wCompIdx /*H2O*/);
+
+ //switch all secondary components to mole fraction in gas phase
+ for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx)
+ globalSol[dofIdxGlobal][compIdx] = volVars.moleFraction(nPhaseIdx,compIdx);
+ }
+ //if saturation of gas phase is smaller than 0 switch
+ else if (volVars.saturation(nPhaseIdx) <= Smin)
+ {
+ wouldSwitch = true;
+ //gas phase has to disappear
+ std::cout << "Gas Phase disappears at vertex " << dofIdxGlobal
+ << ", coordinated: " << globalPos << ", Sg: "
+ << volVars.saturation(nPhaseIdx) << std::endl;
+ newPhasePresence = wPhaseOnly;
+
+ //switch "Sl" to "xlN2"
+ globalSol[dofIdxGlobal][switchIdx]
+ = volVars.moleFraction(wPhaseIdx, nCompIdx /*N2*/);
+ }
+ }
+ else if (phasePresence == nPhaseOnly)
+ {
+ Scalar xlmax = 1;
+ Scalar sumxl = 0;
+ //Calculate sum of mole fractions in the hypothetical liquid phase
+ for (int compIdx = 0; compIdx < numComponents; compIdx++)
+ {
+ sumxl += volVars.moleFraction(wPhaseIdx, compIdx);
+ }
+ if (sumxl > xlmax)
+ wouldSwitch = true;
+ if (staticDat_[dofIdxGlobal].wasSwitched)
+ xlmax *=1.02;
+ //liquid phase appears if sum is larger than one
+ if (sumxl/*sum of mole fractions*/ > xlmax/*1*/)
+ {
+ std::cout << "Liquid Phase appears at vertex " << dofIdxGlobal
+ << ", coordinated: " << globalPos << ", sumxl: "
+ << sumxl << std::endl;
+ newPhasePresence = bothPhases;
+
+ //saturation of the liquid phase set to 0.0001 (if formulation pgSl and vice versa)
+ if (formulation == pgSl)
+ globalSol[dofIdxGlobal][switchIdx] = 0.0001;
+ else if (formulation == plSg)
+ globalSol[dofIdxGlobal][switchIdx] = 0.9999;
+
+ //switch all secondary components back to liquid mole fraction
+ for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx)
+ globalSol[dofIdxGlobal][compIdx] = volVars.moleFraction(wPhaseIdx,compIdx);
+ }
+ }
+ else if (phasePresence == wPhaseOnly)
+ {
+ Scalar xgmax = 1;
+ Scalar sumxg = 0;
+ //Calculate sum of mole fractions in the hypothetical liquid phase
+ for (int compIdx = 0; compIdx < numComponents; compIdx++)
+ {
+ sumxg += volVars.moleFraction(nPhaseIdx, compIdx);
+ }
+ if (sumxg > xgmax)
+ wouldSwitch = true;
+ if (staticDat_[dofIdxGlobal].wasSwitched)
+ xgmax *=1.02;
+ //liquid phase appears if sum is larger than one
+ if (sumxg > xgmax)
+ {
+ std::cout << "Gas Phase appears at vertex " << dofIdxGlobal
+ << ", coordinated: " << globalPos << ", sumxg: "
+ << sumxg << std::endl;
+ newPhasePresence = bothPhases;
+ //saturation of the liquid phase set to 0.9999 (if formulation pgSl and vice versa)
+ if (formulation == pgSl)
+ globalSol[dofIdxGlobal][switchIdx] = 0.9999;
+ else if (formulation == plSg)
+ globalSol[dofIdxGlobal][switchIdx] = 0.0001;
+
+ }
+ }
+
+
+ staticDat_[dofIdxGlobal].phasePresence = newPhasePresence;
+ staticDat_[dofIdxGlobal].wasSwitched = wouldSwitch;
+ return phasePresence != newPhasePresence;
+ }
+
+ // parameters given in constructor
+ std::vector<StaticVars> staticDat_;
+ bool switchFlag_;
+};
+
+}
+
+#include "propertydefaults.hh"
+
+#endif
diff --git a/dumux/porousmediumflow/2pnc/implicit/newtoncontroller.hh b/dumux/porousmediumflow/2pnc/implicit/newtoncontroller.hh
new file mode 100644
index 0000000000..d5a41740fc
--- /dev/null
+++ b/dumux/porousmediumflow/2pnc/implicit/newtoncontroller.hh
@@ -0,0 +1,105 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ * \brief A two-phase n-component specific controller for the newton solver.
+ */
+#ifndef DUMUX_2PNC_NEWTON_CONTROLLER_HH
+#define DUMUX_2PNC_NEWTON_CONTROLLER_HH
+
+#include "properties.hh"
+
+#include <dumux/nonlinear/newtoncontroller.hh>
+
+namespace Dumux {
+/*!
+ * \ingroup Newton
+ * \ingroup TwoPNCModel
+ * \brief A two-phase n-component specific controller for the newton solver.
+ *
+ * This controller 'knows' what a 'physically meaningful' solution is
+ * which allows the newton method to abort quicker if the solution is
+ * way out of bounds.
+ */
+template <class TypeTag>
+class TwoPNCNewtonController : public NewtonController<TypeTag>
+{
+ typedef NewtonController<TypeTag> ParentType;
+ typedef typename GET_PROP_TYPE(TypeTag, PTAG(Problem)) Problem;
+ typedef typename GET_PROP_TYPE(TypeTag, PTAG(SolutionVector)) SolutionVector;
+
+public:
+ TwoPNCNewtonController(Problem &problem)
+ : ParentType(problem)
+ {};
+
+
+ /*!
+ * \brief
+ * Suggest a new time step size based either on the number of newton
+ * iterations required or on the variable switch
+ *
+ * \param uCurrentIter The current global solution vector
+ * \param uLastIter The previous global solution vector
+ *
+ */
+ void newtonEndStep(SolutionVector &uCurrentIter,
+ const SolutionVector &uLastIter)
+ {
+ int succeeded;
+ try {
+ // call the method of the base class
+ this->method().model().updateStaticData(uCurrentIter, uLastIter);
+ ParentType::newtonEndStep(uCurrentIter, uLastIter);
+
+ succeeded = 1;
+ if (this->gridView_().comm().size() > 1)
+ succeeded = this->gridView_().comm().min(succeeded);
+ }
+ catch (Dumux::NumericalProblem &e)
+ {
+ std::cout << "rank " << this->problem_().gridView().comm().rank()
+ << " caught an exception while updating:" << e.what()
+ << "\n";
+ succeeded = 0;
+ if (this->gridView_().comm().size() > 1)
+ succeeded = this->gridView_().comm().min(succeeded);
+ }
+
+ if (!succeeded) {
+ DUNE_THROW(NumericalProblem,
+ "A process did not succeed in linearizing the system");
+ }
+ }
+
+ /*!
+ * \brief Returns true if the current solution can be considered to
+ * be accurate enough
+ */
+ bool newtonConverged()
+ {
+ if (this->method().model().switched())
+ return false;
+
+ return ParentType::newtonConverged();
+ }
+};
+}
+
+#endif
diff --git a/dumux/porousmediumflow/2pnc/implicit/properties.hh b/dumux/porousmediumflow/2pnc/implicit/properties.hh
new file mode 100644
index 0000000000..44e495060a
--- /dev/null
+++ b/dumux/porousmediumflow/2pnc/implicit/properties.hh
@@ -0,0 +1,82 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \ingroup Properties
+ * \ingroup ImplicitProperties
+ * \ingroup TwoPNCModel
+ *
+ * \file
+ *
+ * \brief Defines the properties required for the two-phase n-component
+ * fully implicit model.
+ */
+#ifndef DUMUX_2PNC_PROPERTIES_HH
+#define DUMUX_2PNC_PROPERTIES_HH
+
+#include <dumux/implicit/box/properties.hh>
+#include <dumux/implicit/cellcentered/properties.hh>
+#include <dumux/porousmediumflow/nonisothermal/implicit/properties.hh>
+
+namespace Dumux
+{
+
+namespace Properties
+{
+//////////////////////////////////////////////////////////////////
+// Type tags
+//////////////////////////////////////////////////////////////////
+
+//! The type tag for the implicit isothermal two phase n component problems
+NEW_TYPE_TAG(TwoPNC);
+NEW_TYPE_TAG(BoxTwoPNC, INHERITS_FROM(BoxModel, TwoPNC));
+NEW_TYPE_TAG(CCTwoPNC, INHERITS_FROM(CCModel, TwoPNC));
+
+//! The type tag for the implicit non-isothermal two phase n component problems
+NEW_TYPE_TAG(TwoPNCNI, INHERITS_FROM(TwoPNC, NonIsothermal));
+NEW_TYPE_TAG(BoxTwoPNCNI, INHERITS_FROM(BoxModel, TwoPNCNI));
+NEW_TYPE_TAG(CCTwoPNCNI, INHERITS_FROM(CCModel, TwoPNCNI));
+
+//////////////////////////////////////////////////////////////////
+// Property tags
+//////////////////////////////////////////////////////////////////
+
+NEW_PROP_TAG(NumPhases); //!< Number of fluid phases in the system
+NEW_PROP_TAG(NumComponents); //!< Number of fluid components in the system
+NEW_PROP_TAG(NumMajorComponents); //!< Number of major fluid components which are considered in the calculation of the phase density
+NEW_PROP_TAG(TwoPNCIndices); //!< Enumerations for the 2pncMin models
+NEW_PROP_TAG(Formulation); //!< The formulation of the model
+NEW_PROP_TAG(SpatialParams); //!< The type of the spatial parameters
+NEW_PROP_TAG(FluidSystem); //!< Type of the multi-component relations
+NEW_PROP_TAG(FluidState); //!< Type of the fluid state of the 2pnc model
+NEW_PROP_TAG(Indices); //!< Enumerations for the model
+NEW_PROP_TAG(Chemistry); //!< The chemistry class with which solves equlibrium reactions
+
+NEW_PROP_TAG(MaterialLaw); //!< The material law which ought to be used (extracted from the spatial parameters)
+NEW_PROP_TAG(MaterialLawParams); //!< The parameters of the material law (extracted from the spatial parameters)
+
+NEW_PROP_TAG(ReplaceCompEqIdx); //!< The index of the total mass balance equation, if one component balance is replaced (ReplaceCompEqIdx < NumComponents)
+NEW_PROP_TAG(VtkAddVelocity); //!< Returns whether velocity vectors are written into the vtk output
+NEW_PROP_TAG(ProblemEnableGravity); //!< Returns whether gravity is considered in the problem
+NEW_PROP_TAG(ImplicitMassUpwindWeight); //!< The value of the upwind weight for the mass conservation equations
+NEW_PROP_TAG(ImplicitMobilityUpwindWeight); //!< The value of the upwind parameter for the mobility
+NEW_PROP_TAG(BaseFluxVariables); //! The base flux variables
+}
+}
+
+#endif
diff --git a/dumux/porousmediumflow/2pnc/implicit/propertydefaults.hh b/dumux/porousmediumflow/2pnc/implicit/propertydefaults.hh
new file mode 100644
index 0000000000..753d77bea2
--- /dev/null
+++ b/dumux/porousmediumflow/2pnc/implicit/propertydefaults.hh
@@ -0,0 +1,225 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \ingroup Properties
+ * \ingroup ImplicitProperties
+ * \ingroup TwoPNCModel
+ * \file
+ *
+ * \brief Defines default values for most properties required by the
+ * two-phase n-component fully implicit model.
+ */
+#ifndef DUMUX_2PNC_PROPERTY_DEFAULTS_HH
+#define DUMUX_2PNC_PROPERTY_DEFAULTS_HH
+
+#include "indices.hh"
+#include "model.hh"
+#include "fluxvariables.hh"
+#include "volumevariables.hh"
+#include "properties.hh"
+#include "newtoncontroller.hh"
+
+#include <dumux/porousmediumflow/nonisothermal/implicit/propertydefaults.hh>
+#include <dumux/porousmediumflow/implicit/darcyfluxvariables.hh>
+#include <dumux/material/spatialparams/implicitspatialparams.hh>
+#include <dumux/material/fluidmatrixinteractions/2p/thermalconductivitysomerton.hh>
+
+namespace Dumux
+{
+
+namespace Properties {
+//////////////////////////////////////////////////////////////////
+// Property values
+//////////////////////////////////////////////////////////////////
+
+/*!
+ * \brief Set the property for the number of components.
+ *
+ * We just forward the number from the fluid system
+ *
+ */
+SET_PROP(TwoPNC, NumComponents)
+{
+private:
+ typedef typename GET_PROP_TYPE(TypeTag, PTAG(FluidSystem)) FluidSystem;
+
+public:
+ static const int value = FluidSystem::numComponents;
+
+};
+//! Set as default that no component mass balance is replaced by the total mass balance
+SET_PROP(TwoPNC, ReplaceCompEqIdx)
+{
+private:
+ typedef typename GET_PROP_TYPE(TypeTag, PTAG(FluidSystem)) FluidSystem;
+
+public:
+ static const int value = FluidSystem::numComponents;
+};
+//! The major components belonging to the existing phases are mentioned here e.g., 2 for water and air being the major component in the liquid and gas phases in a 2 phase system
+SET_PROP(TwoPNC, NumMajorComponents)
+{
+private:
+ typedef typename GET_PROP_TYPE(TypeTag, PTAG(FluidSystem)) FluidSystem;
+
+public:
+ static const int value = FluidSystem::numPhases;
+ static_assert(value == 2,
+ "The model is restricted to two-phases, thus number of major components must also be two.");
+};
+
+/*!
+ * \brief Set the property for the number of fluid phases.
+ *
+ * We just forward the number from the fluid system and use an static
+ * assert to make sure it is 2.
+ */
+SET_PROP(TwoPNC, NumPhases)
+{
+private:
+ typedef typename GET_PROP_TYPE(TypeTag, PTAG(FluidSystem)) FluidSystem;
+
+public:
+ static const int value = FluidSystem::numPhases;
+ static_assert(value == 2,
+ "Only fluid systems with 2 fluid phases are supported by the 2p-nc model!");
+};
+/*!
+ * \brief Set the property for the number of equations: For each existing component one equation has to be solved.
+ */
+SET_PROP(TwoPNC, NumEq)
+{
+private:
+ typedef typename GET_PROP_TYPE(TypeTag, PTAG(FluidSystem)) FluidSystem;
+
+public:
+ static const int value = FluidSystem::numComponents;
+};
+
+/*!
+ * \brief The fluid state which is used by the volume variables to
+ * store the thermodynamic state. This should be chosen
+ * appropriately for the model ((non-)isothermal, equilibrium, ...).
+ * This can be done in the problem.
+ */
+SET_PROP(TwoPNC, FluidState){
+ private:
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+ public:
+ typedef Dumux::CompositionalFluidState<Scalar, FluidSystem> type;
+};
+
+//! Set the default formulation to pl-Sg: This can be over written in the problem.
+SET_INT_PROP(TwoPNC, Formulation, TwoPNCFormulation::plSg);
+
+//! Set the property for the material parameters by extracting it from the material law.
+SET_PROP(TwoPNC, MaterialLawParams)
+{
+private:
+ typedef typename GET_PROP_TYPE(TypeTag, PTAG(MaterialLaw)) MaterialLaw;
+
+public:
+ typedef typename MaterialLaw::Params type;
+};
+
+//! Use the 2pnc local residual
+SET_TYPE_PROP(TwoPNC, LocalResidual, TwoPNCLocalResidual<TypeTag>);
+
+//! Use the 2pnc newton controller
+SET_TYPE_PROP(TwoPNC, NewtonController, TwoPNCNewtonController<TypeTag>);
+
+//! the Model property
+SET_TYPE_PROP(TwoPNC, Model, TwoPNCModel<TypeTag>);
+
+//! the VolumeVariables property
+SET_TYPE_PROP(TwoPNC, VolumeVariables, TwoPNCVolumeVariables<TypeTag>);
+
+//! the FluxVariables property
+SET_TYPE_PROP(TwoPNC, FluxVariables, TwoPNCFluxVariables<TypeTag>);
+
+//! define the base flux variables to realize Darcy flow
+SET_TYPE_PROP(TwoPNC, BaseFluxVariables, ImplicitDarcyFluxVariables<TypeTag>);
+
+//! the upwind weight for the mass conservation equations.
+SET_SCALAR_PROP(TwoPNC, ImplicitMassUpwindWeight, 1.0);
+
+//! Set default mobility upwind weight to 1.0, i.e. fully upwind
+SET_SCALAR_PROP(TwoPNC, ImplicitMobilityUpwindWeight, 1.0);
+
+//! The indices required by the isothermal 2pnc model
+SET_TYPE_PROP(TwoPNC, Indices, TwoPNCIndices <TypeTag, /*PVOffset=*/0>);
+
+//! Use the ImplicitSpatialParams by default
+SET_TYPE_PROP(TwoPNC, SpatialParams, ImplicitSpatialParams<TypeTag>);
+
+//! Enable gravity by default
+SET_BOOL_PROP(TwoPNC, ProblemEnableGravity, true);
+
+//! Disable velocity output by default
+SET_BOOL_PROP(TwoPNC, VtkAddVelocity, false);
+
+//! Somerton is used as default model to compute the effective thermal heat conductivity
+SET_PROP(TwoPNCNI, ThermalConductivityModel)
+{
+private:
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
+public:
+ typedef ThermalConductivitySomerton<Scalar, Indices> type;
+};
+
+//! temperature is already written by the isothermal model
+SET_BOOL_PROP(TwoPNCNI, NiOutputLevel, 0);
+
+//////////////////////////////////////////////////////////////////
+// Property values for isothermal model required for the general non-isothermal model
+//////////////////////////////////////////////////////////////////
+
+// set isothermal Model
+SET_TYPE_PROP(TwoPNCNI, IsothermalModel, TwoPNCModel<TypeTag>);
+
+// set isothermal FluxVariables
+SET_TYPE_PROP(TwoPNCNI, IsothermalFluxVariables, TwoPNCFluxVariables<TypeTag>);
+
+//set isothermal VolumeVariables
+SET_TYPE_PROP(TwoPNCNI, IsothermalVolumeVariables, TwoPNCVolumeVariables<TypeTag>);
+
+//set isothermal LocalResidual
+SET_TYPE_PROP(TwoPNCNI, IsothermalLocalResidual, TwoPNCLocalResidual<TypeTag>);
+
+//set isothermal Indices
+SET_TYPE_PROP(TwoPNCNI, IsothermalIndices, TwoPNCIndices<TypeTag, /*PVOffset=*/0>);
+
+//set isothermal NumEq
+SET_PROP(TwoPNCNI, IsothermalNumEq)
+{
+private:
+ typedef typename GET_PROP_TYPE(TypeTag, PTAG(FluidSystem)) FluidSystem;
+
+public:
+ static const int value = FluidSystem::numComponents;
+};
+
+
+}
+
+}
+
+#endif
diff --git a/dumux/porousmediumflow/2pnc/implicit/volumevariables.hh b/dumux/porousmediumflow/2pnc/implicit/volumevariables.hh
new file mode 100644
index 0000000000..27e1a4f229
--- /dev/null
+++ b/dumux/porousmediumflow/2pnc/implicit/volumevariables.hh
@@ -0,0 +1,529 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ *
+ * \brief Contains the quantities which are constant within a
+ * finite volume in the two-phase, n-component model.
+ */
+#ifndef DUMUX_2PNC_VOLUME_VARIABLES_HH
+#define DUMUX_2PNC_VOLUME_VARIABLES_HH
+
+#include <iostream>
+#include <vector>
+
+#include <dumux/implicit/model.hh>
+#include <dumux/material/fluidstates/compositionalfluidstate.hh>
+#include <dumux/common/math.hh>
+
+#include "properties.hh"
+#include "indices.hh"
+#include <dumux/material/constraintsolvers/computefromreferencephase2pnc.hh>
+#include <dumux/material/constraintsolvers/miscible2pnccomposition.hh>
+
+namespace Dumux
+{
+
+/*!
+ * \ingroup TwoPNCModel
+ * \ingroup ImplicitVolumeVariables
+ * \brief Contains the quantities which are are constant within a
+ * finite volume in the two-phase, n-component model.
+ */
+template <class TypeTag>
+class TwoPNCVolumeVariables : public ImplicitVolumeVariables<TypeTag>
+{
+ typedef ImplicitVolumeVariables<TypeTag> ParentType;
+ typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) Implementation;
+
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef typename GET_PROP_TYPE(TypeTag, Grid) Grid;
+ typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
+ typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
+ typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
+ typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+ typedef typename GET_PROP_TYPE(TypeTag, MaterialLaw) MaterialLaw;
+ typedef typename GET_PROP_TYPE(TypeTag, MaterialLawParams) MaterialLawParams;
+ typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
+ enum
+ {
+ dim = GridView::dimension,
+ dimWorld=GridView::dimensionworld,
+
+ numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
+ numComponents = GET_PROP_VALUE(TypeTag, NumComponents),
+ numMajorComponents = GET_PROP_VALUE(TypeTag, NumMajorComponents),
+
+ // formulations
+ formulation = GET_PROP_VALUE(TypeTag, Formulation),
+ plSg = TwoPNCFormulation::plSg,
+ pgSl = TwoPNCFormulation::pgSl,
+
+ // phase indices
+ wPhaseIdx = FluidSystem::wPhaseIdx,
+ nPhaseIdx = FluidSystem::nPhaseIdx,
+
+ // component indices
+ wCompIdx = FluidSystem::wCompIdx,
+ nCompIdx = FluidSystem::nCompIdx,
+
+ // phase presence enums
+ nPhaseOnly = Indices::nPhaseOnly,
+ wPhaseOnly = Indices::wPhaseOnly,
+ bothPhases = Indices::bothPhases,
+
+ // primary variable indices
+ pressureIdx = Indices::pressureIdx,
+ switchIdx = Indices::switchIdx,
+
+ };
+
+ typedef typename GridView::template Codim<0>::Entity Element;
+ typedef typename Grid::ctype CoordScalar;
+ typedef Dumux::Miscible2pNCComposition<Scalar, FluidSystem> Miscible2pNCComposition;
+ typedef Dumux::ComputeFromReferencePhase2pNC<Scalar, FluidSystem> ComputeFromReferencePhase2pNC;
+
+ enum { isBox = GET_PROP_VALUE(TypeTag, ImplicitIsBox) };
+ enum { dofCodim = isBox ? dim : 0 };
+public:
+
+ typedef typename GET_PROP_TYPE(TypeTag, FluidState) FluidState;
+
+ /*!
+ * \copydoc ImplicitVolumeVariables::update
+ * \param primaryVariables The primary Variables
+ */
+ void update(const PrimaryVariables &primaryVariables,
+ const Problem &problem,
+ const Element &element,
+ const FVElementGeometry &fvGeometry,
+ int scvIdx,
+ bool isOldSol)
+ {
+ ParentType::update(primaryVariables,
+ problem,
+ element,
+ fvGeometry,
+ scvIdx,
+ isOldSol);
+
+ completeFluidState(primaryVariables, problem, element, fvGeometry, scvIdx, fluidState_, isOldSol);
+
+ /////////////
+ // calculate the remaining quantities
+ /////////////
+ const MaterialLawParams &materialParams = problem.spatialParams().materialLawParams(element, fvGeometry, scvIdx);
+
+ // Second instance of a parameter cache.
+ // Could be avoided if diffusion coefficients also
+ // became part of the fluid state.
+ typename FluidSystem::ParameterCache paramCache;
+ paramCache.updateAll(fluidState_);
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ {// relative permeabilities
+ Scalar kr;
+ if (phaseIdx == wPhaseIdx)
+ kr = MaterialLaw::krw(materialParams, saturation(wPhaseIdx));
+ else // ATTENTION: krn requires the liquid saturation
+ // as parameter!
+ kr = MaterialLaw::krn(materialParams, saturation(wPhaseIdx));
+ mobility_[phaseIdx] = kr / fluidState_.viscosity(phaseIdx);
+ Valgrind::CheckDefined(mobility_[phaseIdx]);
+ int compIIdx = phaseIdx;
+ for(int compIdx = 0; compIdx < numComponents; ++compIdx)
+ {
+ int compJIdx = compIdx;
+ // binary diffusion coefficents
+ diffCoeff_[phaseIdx][compIdx] = 0.0;
+ if(compIIdx!= compJIdx)
+ diffCoeff_[phaseIdx][compIdx] = FluidSystem::binaryDiffusionCoefficient(fluidState_,
+ paramCache,
+ phaseIdx,
+ compIIdx,
+ compJIdx);
+ Valgrind::CheckDefined(diffCoeff_[phaseIdx][compIdx]);
+ }
+ }
+
+ // porosity
+ porosity_ = problem.spatialParams().porosity(element,
+ fvGeometry,
+ scvIdx);
+ Valgrind::CheckDefined(porosity_);
+ // energy related quantities not contained in the fluid state
+
+ asImp_().updateEnergy_(primaryVariables, problem,element, fvGeometry, scvIdx, isOldSol);
+ }
+
+ /*!
+ * \copydoc ImplicitModel::completeFluidState
+ * \param isOldSol Specifies whether this is the previous solution or the current one
+ * \param primaryVariables The primary Variables
+ */
+ static void completeFluidState(const PrimaryVariables& primaryVariables,
+ const Problem& problem,
+ const Element& element,
+ const FVElementGeometry& fvGeometry,
+ int scvIdx,
+ FluidState& fluidState,
+ bool isOldSol = false)
+
+ {
+ Scalar t = Implementation::temperature_(primaryVariables, problem, element,
+ fvGeometry, scvIdx);
+ fluidState.setTemperature(t);
+
+ int dofIdxGlobal = problem.model().dofMapper().subIndex(element, scvIdx, dofCodim);
+ int phasePresence = problem.model().phasePresence(dofIdxGlobal, isOldSol);
+
+ /////////////
+ // set the saturations
+ /////////////
+
+ Scalar Sg;
+ if (phasePresence == nPhaseOnly)
+ Sg = 1.0;
+ else if (phasePresence == wPhaseOnly) {
+ Sg = 0.0;
+ }
+ else if (phasePresence == bothPhases) {
+ if (formulation == plSg)
+ Sg = primaryVariables[switchIdx];
+ else if (formulation == pgSl)
+ Sg = 1.0 - primaryVariables[switchIdx];
+ else DUNE_THROW(Dune::InvalidStateException, "Formulation: " << formulation << " is invalid.");
+ }
+ else DUNE_THROW(Dune::InvalidStateException, "phasePresence: " << phasePresence << " is invalid.");
+ fluidState.setSaturation(nPhaseIdx, Sg);
+ fluidState.setSaturation(wPhaseIdx, 1.0 - Sg);
+
+ /////////////
+ // set the pressures of the fluid phases
+ /////////////
+
+ // calculate capillary pressure
+ const MaterialLawParams &materialParams
+ = problem.spatialParams().materialLawParams(element, fvGeometry, scvIdx);
+ Scalar pc = MaterialLaw::pc(materialParams, 1 - Sg);
+
+ // extract the pressures
+ if (formulation == plSg) {
+ fluidState.setPressure(wPhaseIdx, primaryVariables[pressureIdx]);
+ if (primaryVariables[pressureIdx] + pc < 0.0)
+ DUNE_THROW(Dumux::NumericalProblem,"Capillary pressure is too low");
+ fluidState.setPressure(nPhaseIdx, primaryVariables[pressureIdx] + pc);
+ }
+ else if (formulation == pgSl) {
+ fluidState.setPressure(nPhaseIdx, primaryVariables[pressureIdx]);
+ // Here we check for (p_g - pc) in order to ensure that (p_l > 0)
+ if (primaryVariables[pressureIdx] - pc < 0.0)
+ {
+ std::cout<< "p_g: "<< primaryVariables[pressureIdx]<<" Cap_press: "<< pc << std::endl;
+ DUNE_THROW(Dumux::NumericalProblem,"Capillary pressure is too high");
+ }
+ fluidState.setPressure(wPhaseIdx, primaryVariables[pressureIdx] - pc);
+ }
+ else DUNE_THROW(Dune::InvalidStateException, "Formulation: " << formulation << " is invalid.");
+
+ /////////////
+ // calculate the phase compositions
+ /////////////
+
+ typename FluidSystem::ParameterCache paramCache;
+
+ // now comes the tricky part: calculate phase composition
+ if (phasePresence == bothPhases) {
+ // both phases are present, phase composition results from
+ // the gas <-> liquid equilibrium. This is
+ // the job of the "MiscibleMultiPhaseComposition"
+ // constraint solver
+
+ // set the known mole fractions in the fluidState so that they
+ // can be used by the Miscible2pNCComposition constraint solver
+ for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx)
+ {
+ fluidState.setMoleFraction(wPhaseIdx, compIdx, primaryVariables[compIdx]);
+ }
+
+ Miscible2pNCComposition::solve(fluidState,
+ paramCache,
+ wPhaseIdx, //known phaseIdx
+ /*setViscosity=*/true,
+ /*setInternalEnergy=*/false);
+ }
+ else if (phasePresence == nPhaseOnly){
+
+ Dune::FieldVector<Scalar, numComponents> moleFrac;
+
+
+ moleFrac[wCompIdx] = primaryVariables[switchIdx];
+
+ for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx)
+ moleFrac[compIdx] = primaryVariables[compIdx];
+
+
+ Scalar sumMoleFracNotGas = 0;
+ for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx)
+ sumMoleFracNotGas+=moleFrac[compIdx];
+
+ sumMoleFracNotGas += moleFrac[wCompIdx];
+ moleFrac[nCompIdx] = 1 - sumMoleFracNotGas;
+
+
+ // Set fluid state mole fractions
+ for (int compIdx=0; compIdx<numComponents; ++compIdx)
+ fluidState.setMoleFraction(nPhaseIdx, compIdx, moleFrac[compIdx]);
+
+
+ // calculate the composition of the remaining phases (as
+ // well as the densities of all phases). this is the job
+ // of the "ComputeFromReferencePhase2pNC" constraint solver
+ ComputeFromReferencePhase2pNC::solve(fluidState,
+ paramCache,
+ nPhaseIdx,
+ /*setViscosity=*/true,
+ /*setInternalEnergy=*/false);
+
+ }
+ else if (phasePresence == wPhaseOnly){
+ // only the liquid phase is present, i.e. liquid phase
+ // composition is stored explicitly.
+ // extract _mass_ fractions in the gas phase
+ Dune::FieldVector<Scalar, numComponents> moleFrac;
+
+ for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx)
+ {
+ moleFrac[compIdx] = primaryVariables[compIdx];
+ }
+ moleFrac[nCompIdx] = primaryVariables[switchIdx];
+ Scalar sumMoleFracNotWater = 0;
+ for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx)
+ {
+ sumMoleFracNotWater+=moleFrac[compIdx];
+ }
+ sumMoleFracNotWater += moleFrac[nCompIdx];
+ moleFrac[wCompIdx] = 1 -sumMoleFracNotWater;
+
+
+ // convert mass to mole fractions and set the fluid state
+ for (int compIdx=0; compIdx<numComponents; ++compIdx)
+ {
+ fluidState.setMoleFraction(wPhaseIdx, compIdx, moleFrac[compIdx]);
+ }
+
+ // calculate the composition of the remaining phases (as
+ // well as the densities of all phases). this is the job
+ // of the "ComputeFromReferencePhase2pNC" constraint solver
+ ComputeFromReferencePhase2pNC::solve(fluidState,
+ paramCache,
+ wPhaseIdx,
+ /*setViscosity=*/true,
+ /*setInternalEnergy=*/false);
+ }
+ paramCache.updateAll(fluidState);
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ {
+ Scalar rho = FluidSystem::density(fluidState, paramCache, phaseIdx);
+ Scalar mu = FluidSystem::viscosity(fluidState, paramCache, phaseIdx);
+
+ fluidState.setDensity(phaseIdx, rho);
+ fluidState.setViscosity(phaseIdx, mu);
+ }
+ }
+
+ /*!
+ * \brief Returns the phase state for the control-volume.
+ */
+ const FluidState &fluidState() const
+ { return fluidState_; }
+
+ /*!
+ * \brief Returns the saturation of a given phase within
+ * the control volume in \f$[-]\f$.
+ *
+ * \param phaseIdx The phase index
+ */
+ Scalar saturation(int phaseIdx) const
+ { return fluidState_.saturation(phaseIdx); }
+
+ /*!
+ * \brief Returns the mass density of a given phase within the
+ * control volume.
+ *
+ * \param phaseIdx The phase index
+ */
+ Scalar density(int phaseIdx) const
+ {
+ if (phaseIdx < numPhases)
+ return fluidState_.density(phaseIdx);
+
+ else
+ DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx);
+ }
+
+ /*!
+ * \brief Returns the mass density of a given phase within the
+ * control volume.
+ *
+ * \param phaseIdx The phase index
+ */
+ Scalar molarDensity(int phaseIdx) const
+ {
+ if (phaseIdx < numPhases)
+ return fluidState_.molarDensity(phaseIdx);
+
+ else
+ DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx);
+ }
+
+ /*!
+ * \brief Returns the effective pressure of a given phase within
+ * the control volume.
+ *
+ * \param phaseIdx The phase index
+ */
+ Scalar pressure(int phaseIdx) const
+ {
+ return fluidState_.pressure(phaseIdx);
+ }
+
+ /*!
+ * \brief Returns temperature inside the sub-control volume.
+ *
+ * Note that we assume thermodynamic equilibrium, i.e. the
+ * temperature of the rock matrix and of all fluid phases are
+ * identical.
+ */
+ Scalar temperature() const
+ { return fluidState_.temperature(/*phaseIdx=*/0); }
+
+ /*!
+ * \brief Returns the effective mobility of a given phase within
+ * the control volume.
+ *
+ * \param phaseIdx The phase index
+ */
+ Scalar mobility(int phaseIdx) const
+ {
+ return mobility_[phaseIdx];
+ }
+
+ /*!
+ * \brief Returns the effective capillary pressure within the control volume
+ * in \f$[kg/(m*s^2)=N/m^2=Pa]\f$.
+ */
+ Scalar capillaryPressure() const
+ { return fluidState_.pressure(FluidSystem::nPhaseIdx) - fluidState_.pressure(FluidSystem::wPhaseIdx); }
+
+ /*!
+ * \brief Returns the average porosity within the control volume.
+ */
+ Scalar porosity() const
+ { return porosity_; }
+
+
+ /*!
+ * \brief Returns the binary diffusion coefficients for a phase in \f$[m^2/s]\f$.
+ */
+ Scalar diffCoeff(int phaseIdx, int compIdx) const
+ { return diffCoeff_[phaseIdx][compIdx]; }
+
+ /*!
+ * \brief Returns the molarity of a component in the phase
+ *
+ * \param phaseIdx the index of the fluid phase
+ * \param compIdx the index of the component
+ */
+ Scalar molarity(int phaseIdx, int compIdx) const // [moles/m^3]
+ { return this->fluidState_.molarity(phaseIdx, compIdx);}
+
+ /*!
+ * \brief Returns the mass fraction of a component in the phase
+ *
+ * \param phaseIdx the index of the fluid phase
+ * \param compIdx the index of the component
+ */
+ Scalar massFraction(int phaseIdx, int compIdx) const
+ {
+ return this->fluidState_.massFraction(phaseIdx, compIdx);
+ }
+
+ /*!
+ * \brief Returns the mole fraction of a component in the phase
+ *
+ * \param phaseIdx the index of the fluid phase
+ * \param compIdx the index of the component
+ */
+ Scalar moleFraction(int phaseIdx, int compIdx) const
+ {
+ return this->fluidState_.moleFraction(phaseIdx, compIdx);
+ }
+
+protected:
+
+ static Scalar temperature_(const PrimaryVariables &priVars,
+ const Problem& problem,
+ const Element &element,
+ const FVElementGeometry &fvGeometry,
+ int scvIdx)
+ {
+ return problem.temperatureAtPos(fvGeometry.subContVol[scvIdx].global);
+ }
+
+ template<class ParameterCache>
+ static Scalar enthalpy_(const FluidState& fluidState,
+ const ParameterCache& paramCache,
+ int phaseIdx)
+ {
+ return 0;
+ }
+
+ /*!
+ * \brief Called by update() to compute the energy related quantities
+ */
+ void updateEnergy_(const PrimaryVariables &priVars,
+ const Problem &problem,
+ const Element &element,
+ const FVElementGeometry &fvGeometry,
+ const int scvIdx,
+ bool isOldSol)
+ { };
+
+ Scalar porosity_; //!< Effective porosity within the control volume
+ Scalar mobility_[numPhases]; //!< Effective mobility within the control volume
+ Scalar density_;
+ FluidState fluidState_;
+ Scalar theta_;
+ Scalar InitialPorosity_;
+ Scalar molWtPhase_[numPhases];
+ Dune::FieldMatrix<Scalar, numPhases, numComponents> diffCoeff_;
+
+private:
+ Implementation &asImp_()
+ { return *static_cast<Implementation*>(this); }
+
+ const Implementation &asImp_() const
+ { return *static_cast<const Implementation*>(this); }
+
+};
+
+} // end namespace
+
+#endif
diff --git a/dumux/porousmediumflow/2pncmin/implicit/fluxvariables.hh b/dumux/porousmediumflow/2pncmin/implicit/fluxvariables.hh
new file mode 100644
index 0000000000..8a87062691
--- /dev/null
+++ b/dumux/porousmediumflow/2pncmin/implicit/fluxvariables.hh
@@ -0,0 +1,162 @@
+// -**- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ * \brief Contains the data which is required to calculate
+ * all fluxes of components over a face of a finite volume for
+ * the two-phase two-component mineralization model fully implicit model.
+ */
+#ifndef DUMUX_2PNCMIN_FLUX_VARIABLES_HH
+#define DUMUX_2PNCMIN_FLUX_VARIABLES_HH
+
+#include <dumux/common/math.hh>
+#include <dumux/common/spline.hh>
+#include <dumux/porousmediumflow/2pnc/implicit/fluxvariables.hh>
+#include "properties.hh"
+
+namespace Dumux
+{
+
+/*!
+ * \ingroup TwoPNCMinModel
+ * \ingroup ImplicitFluxVariables
+ * \brief Contains the data which is required to calculate
+ * all fluxes of components over a face of a finite volume for
+ * the two-phase n-component mineralization fully implicit model.
+ *
+ * This means pressure and concentration gradients, phase densities at
+ * the integration point, etc.
+ */
+
+template <class TypeTag>
+class TwoPNCMinFluxVariables : public TwoPNCFluxVariables<TypeTag>
+{
+ typedef TwoPNCFluxVariables<TypeTag> ParentType;
+ typedef TwoPNCMinFluxVariables<TypeTag> ThisType;
+
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
+
+ typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
+ typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
+
+ typedef typename GridView::ctype CoordScalar;
+ typedef typename GridView::template Codim<0>::Entity Element;
+ typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
+
+ enum {
+ dim = GridView::dimension,
+ dimWorld = GridView::dimensionworld,
+ numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
+ numComponents = GET_PROP_VALUE(TypeTag, NumComponents),
+ };
+
+ typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
+ typedef typename GET_PROP_TYPE(TypeTag, SpatialParams) SpatialParams;
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+ typedef typename FVElementGeometry::SubControlVolume SCV;
+ typedef typename FVElementGeometry::SubControlVolumeFace SCVFace;
+
+ typedef Dune::FieldVector<CoordScalar, dimWorld> DimVector;
+ typedef Dune::FieldMatrix<CoordScalar, dim, dim> DimMatrix;
+
+ typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
+ enum {
+ wPhaseIdx = FluidSystem::wPhaseIdx,
+ nPhaseIdx = FluidSystem::nPhaseIdx,
+ wCompIdx = FluidSystem::wCompIdx,
+ };
+
+public:
+ /*!
+ * \brief The constructor
+ *
+ * \param problem The problem
+ * \param element The finite element
+ * \param fvGeometry The finite-volume geometry in the fully implicit scheme
+ * \param fIdx The local index of the sub-control-volume face
+ * \param elemVolVars The volume variables of the current element
+ * \param onBoundary Evaluate flux at inner sub-control-volume face or on a boundary face
+ */
+ TwoPNCMinFluxVariables(const Problem &problem,
+ const Element &element,
+ const FVElementGeometry &fvGeometry,
+ const int fIdx,
+ const ElementVolumeVariables &elemVolVars,
+ const bool onBoundary = false)
+ : ParentType(problem, element, fvGeometry, fIdx, elemVolVars, onBoundary)
+ {
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
+ this->density_[phaseIdx] = Scalar(0);
+ this->molarDensity_[phaseIdx] = Scalar(0);
+ this->potentialGrad_[phaseIdx] = Scalar(0);
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx)
+ {
+ this->massFractionGrad_[phaseIdx][compIdx] = Scalar(0);
+ this->moleFractionGrad_[phaseIdx][compIdx] = Scalar(0);
+ }
+ }
+ this->calculateGradients_(problem, element, elemVolVars);
+ this->calculateVelocities_(problem, element, elemVolVars);
+ this->calculateporousDiffCoeff_(problem, element, elemVolVars);
+ };
+
+protected:
+ void calculateVelocities_(const Problem &problem,
+ const Element &element,
+ const ElementVolumeVariables &elemVolVars)
+ {
+ const SpatialParams &spatialParams = problem.spatialParams();
+ // multiply the pressure potential with the intrinsic permeability
+ DimMatrix K(0.0);
+
+ for (int phaseIdx=0; phaseIdx < numPhases; phaseIdx++)
+ {
+ const VolumeVariables &volVarsI = elemVolVars[this->face().i];
+ const VolumeVariables &volVarsJ = elemVolVars[this->face().j];
+
+ auto K_i = spatialParams.intrinsicPermeability(element,this->fvGeometry_,this->face().i);
+ K_i *= volVarsI.permeabilityFactor();
+
+ auto K_j = spatialParams.intrinsicPermeability(element,this->fvGeometry_,this->face().j);
+ K_j *= volVarsJ.permeabilityFactor();
+
+ spatialParams.meanK(K,K_i,K_j);
+
+ K.mv(this->potentialGrad_[phaseIdx], this->Kmvp_[phaseIdx]);
+ this->KmvpNormal_[phaseIdx] = - (this->Kmvp_[phaseIdx] * this->face().normal);
+ }
+
+ // set the upstream and downstream vertices
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ {
+ this->upstreamIdx_[phaseIdx] = this->face().i;
+ this->downstreamIdx_[phaseIdx] = this->face().j;
+
+ if (this->KmvpNormal_[phaseIdx] < 0) {
+ std::swap(this->upstreamIdx_[phaseIdx],
+ this->downstreamIdx_[phaseIdx]);
+ }
+ }
+ }
+};
+
+} // end namespace
+
+#endif
diff --git a/dumux/porousmediumflow/2pncmin/implicit/indices.hh b/dumux/porousmediumflow/2pncmin/implicit/indices.hh
new file mode 100644
index 0000000000..eac1763171
--- /dev/null
+++ b/dumux/porousmediumflow/2pncmin/implicit/indices.hh
@@ -0,0 +1,48 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+
+/*!
+ * \file
+ * \brief Defines the indices required for the two-phase n-component mineralization
+ * fully implicit model.
+ */
+#ifndef DUMUX_2PNCMIN_INDICES_HH
+#define DUMUX_2PNCMIN_INDICES_HH
+
+#include <dumux/porousmediumflow/2pnc/implicit/indices.hh>
+
+namespace Dumux
+{
+/*!
+ * \ingroup TwoPNCMinModel
+ * \ingroup ImplicitIndices
+ * \brief The indices for the isothermal two-phase n-component mineralization model.
+ *
+ * \tparam PVOffset The first index in a primary variable vector.
+ */
+template <class TypeTag, int PVOffset = 0>
+ class TwoPNCMinIndices: public TwoPNCIndices<TypeTag, PVOffset>
+{
+};
+
+// \}
+
+}
+
+#endif
diff --git a/dumux/porousmediumflow/2pncmin/implicit/localresidual.hh b/dumux/porousmediumflow/2pncmin/implicit/localresidual.hh
new file mode 100644
index 0000000000..638ef7d391
--- /dev/null
+++ b/dumux/porousmediumflow/2pncmin/implicit/localresidual.hh
@@ -0,0 +1,140 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ *
+ * \brief Element-wise calculation of the Jacobian matrix for problems
+ * using the two-phase n-component mineralisation box model.
+ */
+
+#ifndef DUMUX_2PNCMIN_LOCAL_RESIDUAL_BASE_HH
+#define DUMUX_2PNCMIN_LOCAL_RESIDUAL_BASE_HH
+
+#include "properties.hh"
+#include <dumux/porousmediumflow/2pnc/implicit/localresidual.hh>
+
+namespace Dumux
+{
+/*!
+ * \ingroup TwoPNCMinModel
+ * \ingroup ImplicitLocalResidual
+ * \brief Element-wise calculation of the Jacobian matrix for problems
+ * using the two-phase n-component mineralization fully implicit box model.
+ *
+ * This class is used to fill the gaps in ImplicitLocalResidual for the two-phase n-component flow.
+ */
+template<class TypeTag>
+class TwoPNCMinLocalResidual: public TwoPNCLocalResidual<TypeTag>
+{
+protected:
+ typedef TwoPNCLocalResidual<TypeTag> ParentType;
+ typedef TwoPNCMinLocalResidual<TypeTag> ThisType;
+ typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+ typedef typename GET_PROP_TYPE(TypeTag, SolutionVector) SolutionVector;
+ typedef typename GET_PROP_TYPE(TypeTag, ElementSolutionVector) ElementSolutionVector;
+ typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, BoundaryTypes) BoundaryTypes;
+ typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
+ typedef typename GET_PROP_TYPE(TypeTag, LocalResidual) Implementation;
+
+
+ enum
+ {
+ numEq = GET_PROP_VALUE(TypeTag, NumEq),
+ numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
+ numSPhases = GET_PROP_VALUE(TypeTag, NumSPhases),
+ numComponents = GET_PROP_VALUE(TypeTag, NumComponents),
+
+ replaceCompEqIdx = GET_PROP_VALUE(TypeTag, ReplaceCompEqIdx),
+
+ pressureIdx = Indices::pressureIdx,
+ switchIdx = Indices::switchIdx,
+
+ wPhaseIdx = FluidSystem::wPhaseIdx,
+ nPhaseIdx = FluidSystem::nPhaseIdx,
+
+ wCompIdx = FluidSystem::wCompIdx,
+ nCompIdx = FluidSystem::nCompIdx,
+
+ conti0EqIdx = Indices::conti0EqIdx,
+
+ wPhaseOnly = Indices::wPhaseOnly,
+ nPhaseOnly = Indices::nPhaseOnly,
+ bothPhases = Indices::bothPhases,
+
+ plSg = TwoPNCFormulation::plSg,
+ pgSl = TwoPNCFormulation::pgSl,
+ formulation = GET_PROP_VALUE(TypeTag, Formulation)
+ };
+
+ typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, ElementBoundaryTypes) ElementBoundaryTypes;
+ typedef typename GET_PROP_TYPE(TypeTag, FluxVariables) FluxVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, SpatialParams) SpatialParams;
+ typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
+
+public:
+ /*!
+ * \brief Constructor. Sets the upwind weight.
+ */
+ TwoPNCMinLocalResidual()
+ {
+ // retrieve the upwind weight for the mass conservation equations. Use the value
+ // specified via the property system as default, and overwrite
+ // it by the run-time parameter from the Dune::ParameterTree
+ this->massUpwindWeight_ = GET_PARAM_FROM_GROUP(TypeTag, Scalar, Implicit, MassUpwindWeight);
+ };
+
+ /*!
+ * \brief Evaluate the amount all conservation quantities
+ * (e.g. phase mass) within a sub-control volume.
+ *
+ * The result should be averaged over the volume (e.g. phase mass
+ * inside a sub control volume divided by the volume).
+ * In contrast to the 2pnc model, here, the storage of solid phases is included too.
+ *
+ * \param storage the mass of the component within the sub-control volume
+ * \param scvIdx The SCV (sub-control-volume) index
+ * \param usePrevSol Evaluate function with solution of current or previous time step
+ */
+ void computeStorage(PrimaryVariables &storage, int scvIdx, bool usePrevSol) const
+ {
+ //call parenttype function
+ ParentType::computeStorage(storage, scvIdx, usePrevSol);
+
+ const ElementVolumeVariables &elemVolVars = usePrevSol ? this->prevVolVars_()
+ : this->curVolVars_();
+ const VolumeVariables &volVars = elemVolVars[scvIdx];
+
+ // Compute storage term of all solid (precipitated) phases (excluding the non-reactive matrix)
+ for (int phaseIdx = numPhases; phaseIdx < numPhases + numSPhases; ++phaseIdx)
+ {
+ int eqIdx = conti0EqIdx + numComponents-numPhases + phaseIdx;
+ storage[eqIdx] += volVars.precipitateVolumeFraction(phaseIdx)*volVars.molarDensity(phaseIdx);
+ }
+
+ Valgrind::CheckDefined(storage);
+ }
+};
+} // end namespace
+
+#endif
diff --git a/dumux/porousmediumflow/2pncmin/implicit/model.hh b/dumux/porousmediumflow/2pncmin/implicit/model.hh
new file mode 100644
index 0000000000..9649493ab9
--- /dev/null
+++ b/dumux/porousmediumflow/2pncmin/implicit/model.hh
@@ -0,0 +1,551 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+* \file
+*
+* \brief Adaption of the fully implicit box scheme to the two-phase n-component flow model.
+*/
+
+#ifndef DUMUX_2PNCMIN_MODEL_HH
+#define DUMUX_2PNCMIN_MODEL_HH
+
+#include "properties.hh"
+#include "indices.hh"
+
+#include <dumux/material/constants.hh>
+#include <dumux/porousmediumflow/2pnc/implicit/model.hh>
+#include "localresidual.hh"
+#include <dumux/porousmediumflow/implicit/velocityoutput.hh>
+
+namespace Dumux
+{
+/*!
+ * \ingroup TwoPNCMinModel
+ * \brief Adaption of the fully implicit scheme to the
+ * two-phase n-component fully implicit model.
+ *
+ * This model implements two-phase n-component flow of two compressible and
+ * partially miscible fluids \f$\alpha \in \{ w, n \}\f$ composed of the n components
+ * \f$\kappa \in \{ w, a,\cdots \}\f$. The standard multiphase Darcy
+ * approach is used as the equation for the conservation of momentum:
+ * \f[
+ v_\alpha = - \frac{k_{r\alpha}}{\mu_\alpha} \mbox{\bf K}
+ \left(\text{grad}\, p_\alpha - \varrho_{\alpha} \mbox{\bf g} \right)
+ * \f]
+ *
+ * By inserting this into the equations for the conservation of the
+ * components, one gets one transport equation for each component
+ * \f{eqnarray}
+ && \phi \frac{\partial (\sum_\alpha \varrho_\alpha X_\alpha^\kappa S_\alpha )}
+ {\partial t}
+ - \sum_\alpha \text{div} \left\{ \varrho_\alpha X_\alpha^\kappa
+ \frac{k_{r\alpha}}{\mu_\alpha} \mbox{\bf K}
+ (\text{grad}\, p_\alpha - \varrho_{\alpha} \mbox{\bf g}) \right\}
+ \nonumber \\ \nonumber \\
+ &-& \sum_\alpha \text{div} \left\{{\bf D_{\alpha, pm}^\kappa} \varrho_{\alpha} \text{grad}\, X^\kappa_{\alpha} \right\}
+ - \sum_\alpha q_\alpha^\kappa = 0 \qquad \kappa \in \{w, a,\cdots \} \, ,
+ \alpha \in \{w, g\}
+ \f}
+ *
+ * All equations are discretized using a vertex-centered finite volume (box)
+ * or cell-centered finite volume scheme (this is not done for 2pnc approach yet, however possible) as
+ * spatial and the implicit Euler method as time discretization.
+ *
+ * By using constitutive relations for the capillary pressure \f$p_c =
+ * p_n - p_w\f$ and relative permeability \f$k_{r\alpha}\f$ and taking
+ * advantage of the fact that \f$S_w + S_n = 1\f$ and \f$X^\kappa_w + X^\kappa_n = 1\f$, the number of
+ * unknowns can be reduced to number of components.
+ *
+ * The used primary variables are, like in the two-phase model, either \f$p_w\f$ and \f$S_n\f$
+ * or \f$p_n\f$ and \f$S_w\f$. The formulation which ought to be used can be
+ * specified by setting the <tt>Formulation</tt> property to either
+ * TwoPTwoCIndices::pWsN or TwoPTwoCIndices::pNsW. By
+ * default, the model uses \f$p_w\f$ and \f$S_n\f$.
+ *
+ * Moreover, the second primary variable depends on the phase state, since a
+ * primary variable switch is included. The phase state is stored for all nodes
+ * of the system. The model is uses mole fractions.
+ *Following cases can be distinguished:
+ * <ul>
+ * <li> Both phases are present: The saturation is used (either \f$S_n\f$ or \f$S_w\f$, dependent on the chosen <tt>Formulation</tt>),
+ * as long as \f$ 0 < S_\alpha < 1\f$</li>.
+ * <li> Only wetting phase is present: The mass fraction of, e.g., air in the wetting phase \f$X^a_w\f$ is used,
+ * as long as the maximum mass fraction is not exceeded (\f$X^a_w<X^a_{w,max}\f$)</li>
+ * <li> Only non-wetting phase is present: The mass fraction of, e.g., water in the non-wetting phase, \f$X^w_n\f$, is used,
+ * as long as the maximum mass fraction is not exceeded (\f$X^w_n<X^w_{n,max}\f$)</li>
+ * </ul>
+ */
+
+template<class TypeTag>
+class TwoPNCMinModel: public TwoPNCModel<TypeTag>
+{
+ typedef TwoPNCMinModel<TypeTag> ThisType;
+ typedef TwoPNCModel<TypeTag> ParentType;
+
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+ typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
+
+ typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
+ typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, ElementBoundaryTypes) ElementBoundaryTypes;
+ typedef typename GET_PROP_TYPE(TypeTag, FluxVariables) FluxVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, VertexMapper) VertexMapper;
+ typedef typename GET_PROP_TYPE(TypeTag, ElementMapper) ElementMapper;
+ typedef typename GET_PROP_TYPE(TypeTag, SolutionVector) SolutionVector;
+ typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
+ typedef Dumux::Constants<Scalar> Constant;
+
+ enum {
+ dim = GridView::dimension,
+ dimWorld = GridView::dimensionworld,
+
+ numEq = GET_PROP_VALUE(TypeTag, NumEq),
+ numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
+ numSPhases = GET_PROP_VALUE(TypeTag, NumSPhases),
+ numComponents = GET_PROP_VALUE(TypeTag, NumComponents),
+ numSecComponents = GET_PROP_VALUE(TypeTag, NumSecComponents),
+ numMajorComponents = GET_PROP_VALUE(TypeTag, NumMajorComponents),
+
+ pressureIdx = Indices::pressureIdx,
+ switchIdx = Indices::switchIdx,
+
+ wPhaseIdx = Indices::wPhaseIdx,
+ nPhaseIdx = Indices::nPhaseIdx,
+
+ wCompIdx = FluidSystem::wCompIdx,
+ nCompIdx = FluidSystem::nCompIdx,
+
+ wPhaseOnly = Indices::wPhaseOnly,
+ nPhaseOnly = Indices::nPhaseOnly,
+ bothPhases = Indices::bothPhases,
+
+ plSg = TwoPNCFormulation::plSg,
+ pgSl = TwoPNCFormulation::pgSl,
+ formulation = GET_PROP_VALUE(TypeTag, Formulation)
+ };
+
+ typedef typename GridView::template Codim<dim>::Entity Vertex;
+ typedef typename GridView::template Codim<0>::Entity Element;
+
+ typedef Dune::FieldVector<Scalar, dimWorld> GlobalPosition;
+ typedef typename GridView::ctype CoordScalar;
+ typedef Dune::FieldMatrix<CoordScalar, dimWorld, dimWorld> Tensor;
+ typedef Dune::FieldVector<Scalar, numPhases> PhasesVector;
+
+ enum { isBox = GET_PROP_VALUE(TypeTag, ImplicitIsBox) };
+ enum { dofCodim = isBox ? dim : 0 };
+
+public:
+
+ /*!
+ * \brief Append all quantities of interest which can be derived
+ * from the solution of the current time step to the VTK
+ * writer.
+ *
+ * \param sol The solution vector
+ * \param writer The writer for multi-file VTK datasets
+ */
+ template<class MultiWriter>
+ //additional output of the permeability and the precipitate volume fractions
+ void addOutputVtkFields(const SolutionVector &sol,
+ MultiWriter &writer)
+ {
+ typedef Dune::BlockVector<Dune::FieldVector<Scalar, 1> > ScalarField;
+ typedef Dune::BlockVector<Dune::FieldVector<double, dim> > VectorField;
+
+ // get the number of degrees of freedom
+ unsigned numDofs = this->numDofs();
+
+ // create the required scalar fields
+ ScalarField *Sg = writer.allocateManagedBuffer (numDofs);
+ ScalarField *Sl = writer.allocateManagedBuffer (numDofs);
+ ScalarField *pg = writer.allocateManagedBuffer (numDofs);
+ ScalarField *pl = writer.allocateManagedBuffer (numDofs);
+ ScalarField *pc = writer.allocateManagedBuffer (numDofs);
+ ScalarField *rhoL = writer.allocateManagedBuffer (numDofs);
+ ScalarField *rhoG = writer.allocateManagedBuffer (numDofs);
+ ScalarField *mobL = writer.allocateManagedBuffer (numDofs);
+ ScalarField *mobG = writer.allocateManagedBuffer (numDofs);
+ ScalarField *phasePresence = writer.allocateManagedBuffer (numDofs);
+ ScalarField *temperature = writer.allocateManagedBuffer (numDofs);
+ ScalarField *poro = writer.allocateManagedBuffer (numDofs);
+ ScalarField *boxVolume = writer.allocateManagedBuffer (numDofs);
+ ScalarField *cellNum = writer.allocateManagedBuffer (numDofs);
+ ScalarField *permeabilityFactor = writer.allocateManagedBuffer (numDofs);
+ ScalarField *precipitateVolumeFraction[numSPhases] ;
+
+ for (int i = 0; i < numSPhases; ++i)
+ {
+ precipitateVolumeFraction[i]= writer.allocateManagedBuffer (numDofs);
+ }
+
+ ScalarField *massFraction[numPhases][numComponents];
+ for (int i = 0; i < numPhases; ++i)
+ for (int j = 0; j < numComponents; ++j)
+ massFraction[i][j] = writer.allocateManagedBuffer(numDofs);
+
+ ScalarField *molarity[numComponents];
+ for (int j = 0; j < numComponents ; ++j)
+ molarity[j] = writer.allocateManagedBuffer(numDofs);
+
+ ScalarField *Perm[dim];
+ for (int j = 0; j < dim; ++j) //Permeability only in main directions xx and yy
+ Perm[j] = writer.allocateManagedBuffer(numDofs);
+
+ *boxVolume = 0;
+
+ VectorField *velocityN = writer.template allocateManagedBuffer<double, dim>(numDofs);
+ VectorField *velocityW = writer.template allocateManagedBuffer<double, dim>(numDofs);
+ ImplicitVelocityOutput<TypeTag> velocityOutput(this->problem_());
+
+ if (velocityOutput.enableOutput()) // check if velocity output is demanded
+ {
+ // initialize velocity fields
+ for (unsigned int i = 0; i < numDofs; ++i)
+ {
+ (*velocityN)[i] = Scalar(0);
+ (*velocityW)[i] = Scalar(0);
+ (*cellNum)[i] = Scalar(0.0);
+ }
+ }
+
+ unsigned numElements = this->gridView_().size(0);
+ ScalarField *rank =
+ writer.allocateManagedBuffer (numElements);
+
+ FVElementGeometry fvGeometry;
+ VolumeVariables volVars;
+ ElementVolumeVariables elemVolVars;
+
+ for (const auto& element : Dune::elements(this->gridView_()))
+ {
+ int idx = this->problem_().elementMapper().index(element);
+ (*rank)[idx] = this->gridView_().comm().rank();
+ fvGeometry.update(this->gridView_(), element);
+
+ elemVolVars.update(this->problem_(),
+ element,
+ fvGeometry,
+ false /* oldSol? */);
+
+ int numVerts = element.subEntities(dim);
+
+ for (int i = 0; i < numVerts; ++i)
+ {
+ int globalIdx = this->vertexMapper().subIndex(element, i, dim);
+ volVars.update(sol[globalIdx],
+ this->problem_(),
+ element,
+ fvGeometry,
+ i,
+ false);
+
+ (*Sg)[globalIdx] = volVars.saturation(nPhaseIdx);
+ (*Sl)[globalIdx] = volVars.saturation(wPhaseIdx);
+ (*pg)[globalIdx] = volVars.pressure(nPhaseIdx);
+ (*pl)[globalIdx] = volVars.pressure(wPhaseIdx);
+ (*pc)[globalIdx] = volVars.capillaryPressure();
+ (*rhoL)[globalIdx] = volVars.density(wPhaseIdx);
+ (*rhoG)[globalIdx] = volVars.density(nPhaseIdx);
+ (*mobL)[globalIdx] = volVars.mobility(wPhaseIdx);
+ (*mobG)[globalIdx] = volVars.mobility(nPhaseIdx);
+ (*boxVolume)[globalIdx] += fvGeometry.subContVol[i].volume;
+ (*poro)[globalIdx] = volVars.porosity();
+
+ for (int sPhaseIdx = 0; sPhaseIdx < numSPhases; ++sPhaseIdx)
+ {
+ (*precipitateVolumeFraction[sPhaseIdx])[globalIdx] = volVars.precipitateVolumeFraction(sPhaseIdx + numPhases);
+ }
+ (*temperature)[globalIdx] = volVars.temperature();
+ (*permeabilityFactor)[globalIdx] = volVars.permeabilityFactor();
+ (*phasePresence)[globalIdx] = this->staticDat_[globalIdx].phasePresence;
+
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx)
+ {
+ (*massFraction[phaseIdx][compIdx])[globalIdx]= volVars.massFraction(phaseIdx,compIdx);
+
+ Valgrind::CheckDefined((*massFraction[phaseIdx][compIdx])[globalIdx]);
+
+ }
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx)
+ (*molarity[compIdx])[globalIdx] = (volVars.molarity(wPhaseIdx, compIdx));
+
+ Tensor K = this->perm_(this->problem_().spatialParams().intrinsicPermeability(element, fvGeometry, i));
+
+ for (int j = 0; j<dim; ++j)
+ (*Perm[j])[globalIdx] = K[j][j] * volVars.permeabilityFactor();
+ };
+
+ // velocity output
+ if(velocityOutput.enableOutput()){
+ velocityOutput.calculateVelocity(*velocityW, elemVolVars, fvGeometry, element, wPhaseIdx);
+ velocityOutput.calculateVelocity(*velocityN, elemVolVars, fvGeometry, element, nPhaseIdx);
+ }
+ } // loop over element
+
+ writer.attachVertexData(*Sg, "Sg");
+ writer.attachVertexData(*Sl, "Sl");
+ writer.attachVertexData(*pg, "pg");
+ writer.attachVertexData(*pl, "pl");
+ writer.attachVertexData(*pc, "pc");
+ writer.attachVertexData(*rhoL, "rhoL");
+ writer.attachVertexData(*rhoG, "rhoG");
+ writer.attachVertexData(*mobL, "mobL");
+ writer.attachVertexData(*mobG, "mobG");
+ writer.attachVertexData(*poro, "porosity");
+ writer.attachVertexData(*permeabilityFactor, "permeabilityFactor");
+ writer.attachVertexData(*temperature, "temperature");
+ writer.attachVertexData(*phasePresence, "phase presence");
+ writer.attachVertexData(*boxVolume, "boxVolume");
+
+
+ for (int i = 0; i < numSPhases; ++i)
+ {
+ std::ostringstream oss;
+ oss << "precipitateVolumeFraction_"
+ << FluidSystem::phaseName(numPhases + i);
+ writer.attachDofData(*precipitateVolumeFraction[i], oss.str().c_str(), isBox);
+ }
+
+ writer.attachVertexData(*Perm[0], "Kxx");
+ if (dim >= 2)
+ writer.attachVertexData(*Perm[1], "Kyy");
+ if (dim == 3)
+ writer.attachVertexData(*Perm[2], "Kzz");
+
+ for (int i = 0; i < numPhases; ++i)
+ {
+ for (int j = 0; j < numComponents; ++j)
+ {
+ std::ostringstream oss;
+ oss << "X^"
+ << FluidSystem::phaseName(i)
+ << "_"
+ << FluidSystem::componentName(j);
+ writer.attachVertexData(*massFraction[i][j], oss.str().c_str());
+ }
+ }
+
+ for (int j = 0; j < numComponents; ++j)
+ {
+ std::ostringstream oss;
+ oss << "m^w_"
+ << FluidSystem::componentName(j);
+ writer.attachVertexData(*molarity[j], oss.str().c_str());
+ }
+
+ if (velocityOutput.enableOutput()) // check if velocity output is demanded
+ {
+ writer.attachDofData(*velocityW, "velocityW", isBox, dim);
+ writer.attachDofData(*velocityN, "velocityN", isBox, dim);
+ }
+
+ writer.attachCellData(*rank, "process rank");
+ }
+
+ /*!
+ * \brief Update the static data of all vertices in the grid.
+ *
+ * \param curGlobalSol The current global solution
+ * \param oldGlobalSol The previous global solution
+ */
+ void updateStaticData(SolutionVector &curGlobalSol,
+ const SolutionVector &oldGlobalSol)
+ {
+ bool wasSwitched = false;
+
+ for (unsigned i = 0; i < this->staticDat_.size(); ++i)
+ this->staticDat_[i].visited = false;
+
+ FVElementGeometry fvGeometry;
+ static VolumeVariables volVars;
+ for (const auto& element : Dune::elements(this->gridView_()))
+ {
+ fvGeometry.update(this->gridView_(), element);
+ for (int i = 0; i < fvGeometry.numScv; ++i)
+ {
+ int globalIdx = this->vertexMapper().subIndex(element, i, dim);
+
+ if (this->staticDat_[globalIdx].visited)
+ continue;
+
+ this->staticDat_[globalIdx].visited = true;
+ volVars.update(curGlobalSol[globalIdx],
+ this->problem_(),
+ element,
+ fvGeometry,
+ i,
+ false);
+ const GlobalPosition &global = element.geometry().corner(i);
+ if (primaryVarSwitch_(curGlobalSol,
+ volVars,
+ globalIdx,
+ global))
+ { wasSwitched = true;
+ }
+ }
+ }
+
+ // make sure that if there was a variable switch in an
+ // other partition we will also set the switch flag
+ // for our partition.
+ if (this->gridView_().comm().size() > 1)
+ wasSwitched = this->gridView_().comm().max(wasSwitched);
+
+ setSwitched_(wasSwitched);
+ }
+protected:
+
+ /*!
+ * \brief Set whether there was a primary variable switch after in
+ * the last timestep.
+ */
+ void setSwitched_(bool yesno)
+ {
+ switchFlag_ = yesno;
+ }
+
+ /*!
+ * \copydoc 2pnc::primaryVarSwitch_
+ */
+ bool primaryVarSwitch_(SolutionVector &globalSol,
+ const VolumeVariables &volVars, int globalIdx,
+ const GlobalPosition &globalPos)
+ {
+ // evaluate primary variable switch
+ bool wouldSwitch = false;
+ int phasePresence = this->staticDat_[globalIdx].phasePresence;
+ int newPhasePresence = phasePresence;
+
+ //check if a primary variable switch is necessary
+ if (phasePresence == bothPhases)
+ {
+ Scalar Smin = 0.0; //saturation threshold
+ if (this->staticDat_[globalIdx].wasSwitched)
+ Smin = -0.01;
+
+ //if saturation of liquid phase is smaller 0 switch
+ if (volVars.saturation(wPhaseIdx) <= Smin)
+ {
+ wouldSwitch = true;
+ //liquid phase has to disappear
+ std::cout << "Liquid Phase disappears at vertex " << globalIdx
+ << ", coordinated: " << globalPos << ", Sl: "
+ << volVars.saturation(wPhaseIdx) << std::endl;
+ newPhasePresence = nPhaseOnly;
+
+ //switch not depending on formulation
+ //switch "Sl" to "xgH20"
+ globalSol[globalIdx][switchIdx]
+ = volVars.moleFraction(nPhaseIdx, wCompIdx /*H2O*/);
+ //Here unlike 2pnc model we do not switch all components to to mole fraction in gas phase
+ }
+ //if saturation of gas phase is smaller than 0 switch
+ else if (volVars.saturation(nPhaseIdx) <= Smin)
+ {
+ wouldSwitch = true;
+ //gas phase has to disappear
+ std::cout << "Gas Phase disappears at vertex " << globalIdx
+ << ", coordinated: " << globalPos << ", Sg: "
+ << volVars.saturation(nPhaseIdx) << std::endl;
+ newPhasePresence = wPhaseOnly;
+
+ //switch "Sl" to "xlN2"
+ globalSol[globalIdx][switchIdx]
+ = volVars.moleFraction(wPhaseIdx, nCompIdx /*N2*/);
+ }
+ }
+ else if (phasePresence == nPhaseOnly)
+ {
+ Scalar sumxl = 0;
+ //Calculate sum of mole fractions (water and air) in the hypothetical liquid phase
+ //WARNING: Here numComponents is replaced by numMajorComponents as the solutes
+ //are only present in the liquid phase and cannot condense as the liquid (water).
+ for (int compIdx = 0; compIdx < numComponents; compIdx++)
+ {
+ sumxl += volVars.moleFraction(wPhaseIdx, compIdx);
+ }
+ Scalar xlmax = 1.0;
+ if (sumxl > xlmax)
+ wouldSwitch = true;
+ if (this->staticDat_[globalIdx].wasSwitched)
+ xlmax *=1.02;
+
+ //if the sum of the mole fractions would be larger than
+ //1, wetting phase appears
+ if (sumxl/*sum of mole fractions*/ > xlmax/*1*/)
+ {
+ // liquid phase appears
+ std::cout << "Liquid Phase appears at vertex " << globalIdx
+ << ", coordinated: " << globalPos << ", sumxl: "
+ << sumxl << std::endl;
+ newPhasePresence = bothPhases;
+ if (formulation == pgSl)
+ globalSol[globalIdx][switchIdx] = 0.0;
+ else if (formulation == plSg)
+ globalSol[globalIdx][switchIdx] = 1.0;
+ //Here unlike 2pnc model we do not switch all components to to mole fraction in gas phase
+ }
+ }
+ else if (phasePresence == wPhaseOnly)
+ {
+ Scalar xgmax = 1;
+ Scalar sumxg = 0;
+ //Calculate sum of mole fractions in the hypothetical gas phase
+ for (int compIdx = 0; compIdx < numComponents; compIdx++)
+ {
+ sumxg += volVars.moleFraction(nPhaseIdx, compIdx);
+ }
+ if (sumxg > xgmax)
+ wouldSwitch = true;
+ if (this->staticDat_[globalIdx].wasSwitched)
+ xgmax *=1.02;
+ //liquid phase appears if sum is larger than one
+ if (sumxg > xgmax)
+ {
+ std::cout << "Gas Phase appears at vertex " << globalIdx
+ << ", coordinated: " << globalPos << ", sumxg: "
+ << sumxg << std::endl;
+ newPhasePresence = bothPhases;
+ //saturation of the liquid phase set to 0.9999 (if formulation pgSl and vice versa)
+ if (formulation == pgSl)
+ globalSol[globalIdx][switchIdx] = 0.999;
+ else if (formulation == plSg)
+ globalSol[globalIdx][switchIdx] = 0.001;
+
+ }
+ }
+ this->staticDat_[globalIdx].phasePresence = newPhasePresence;
+ this->staticDat_[globalIdx].wasSwitched = wouldSwitch;
+ return phasePresence != newPhasePresence;
+ }
+ // parameters given in constructor
+ bool switchFlag_;
+};
+
+}
+
+#include "propertydefaults.hh"
+
+#endif
diff --git a/dumux/porousmediumflow/2pncmin/implicit/properties.hh b/dumux/porousmediumflow/2pncmin/implicit/properties.hh
new file mode 100644
index 0000000000..2171d0bc83
--- /dev/null
+++ b/dumux/porousmediumflow/2pncmin/implicit/properties.hh
@@ -0,0 +1,65 @@
+// -**- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \ingroup Properties
+ * \ingroup ImplicitProperties
+ * \ingroup TwoPNCMinModel
+ *
+ * \file
+ *
+ * \brief Defines the properties required for the two-phase n-component mineralization
+ * fully implicit model.
+ */
+#ifndef DUMUX_2PNCMIN_PROPERTIES_HH
+#define DUMUX_2PNCMIN_PROPERTIES_HH
+
+#include <dumux/porousmediumflow/2pnc/implicit/properties.hh>
+
+namespace Dumux
+{
+
+namespace Properties
+{
+//////////////////////////////////////////////////////////////////
+// Type tags
+//////////////////////////////////////////////////////////////////
+
+//! The type tag for the isothermal two phase n component mineralisation problems
+NEW_TYPE_TAG(TwoPNCMin, INHERITS_FROM(TwoPNC));
+NEW_TYPE_TAG(BoxTwoPNCMin, INHERITS_FROM(BoxModel, TwoPNCMin));
+NEW_TYPE_TAG(CCTwoPNCMin, INHERITS_FROM(CCModel, TwoPNCMin));
+
+//////////////////////////////////////////////////////////////////
+// Property tags
+//////////////////////////////////////////////////////////////////
+
+NEW_PROP_TAG(NumSPhases); //!< Number of solid phases in the system
+NEW_PROP_TAG(NumFSPhases); //!< Number of fluid and solid phases in the system
+NEW_PROP_TAG(NumSComponents); //!< Number of solid components in the system
+NEW_PROP_TAG(NumPSComponents); //!< Number of fluid and solid components in the system
+NEW_PROP_TAG(NumTraceComponents); //!< Number of trace fluid components which are not considered in the calculation of the phase density
+NEW_PROP_TAG(NumSecComponents); //!< Number of secondary components which are not primary variables
+NEW_PROP_TAG(TwoPNCMinIndices); //!< Enumerations for the 2pncMin models
+NEW_PROP_TAG(useSalinity); //!< Determines if salinity is used
+NEW_PROP_TAG(SpatialParamsForchCoeff); //!< Property for the forchheimer coefficient
+
+}
+}
+
+#endif
diff --git a/dumux/porousmediumflow/2pncmin/implicit/propertydefaults.hh b/dumux/porousmediumflow/2pncmin/implicit/propertydefaults.hh
new file mode 100644
index 0000000000..e3854eb01e
--- /dev/null
+++ b/dumux/porousmediumflow/2pncmin/implicit/propertydefaults.hh
@@ -0,0 +1,143 @@
+// -**- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \ingroup Properties
+ * \ingroup ImplicitProperties
+ * \ingroup TwoPNCMinModel
+ * \file
+ *
+ * \brief Defines default values for most properties required by the
+ * two-phase n-component mineralization fully implicit model.
+ */
+#ifndef DUMUX_2PNCMIN_PROPERTY_DEFAULTS_HH
+#define DUMUX_2PNCMIN_PROPERTY_DEFAULTS_HH
+
+#include "indices.hh"
+#include "model.hh"
+#include "indices.hh"
+#include "fluxvariables.hh"
+#include "volumevariables.hh"
+#include "properties.hh"
+
+#include <dumux/porousmediumflow/2pnc/implicit/newtoncontroller.hh>
+#include <dumux/porousmediumflow/implicit/darcyfluxvariables.hh>
+#include <dumux/material/spatialparams/implicitspatialparams.hh>
+
+namespace Dumux
+{
+
+namespace Properties {
+//////////////////////////////////////////////////////////////////
+// Property values
+//////////////////////////////////////////////////////////////////
+
+/*!
+ * \brief Set the property for the number of secondary components.
+ * Secondary components are components calculated from
+ * primary components by equilibrium relations and
+ * do not have mass balance equation on their own.
+ * These components are important in the context of bio-mineralization applications.
+ * We just forward the number from the fluid system
+ *
+ */
+SET_PROP(TwoPNCMin, NumSecComponents)
+{
+private:
+ typedef typename GET_PROP_TYPE(TypeTag, PTAG(FluidSystem)) FluidSystem;
+
+public:
+ static const int value = FluidSystem::numSecComponents;
+
+};
+/*!
+ * \brief Set the property for the number of solid phases, excluding the non-reactive matrix.
+ *
+ * We just forward the number from the fluid system
+ *
+ */
+SET_PROP(TwoPNCMin, NumSPhases)
+{
+private:
+ typedef typename GET_PROP_TYPE(TypeTag, PTAG(FluidSystem)) FluidSystem;
+
+public:
+ static const int value = FluidSystem::numSPhases;
+};
+
+/*!
+ * \brief Set the property for the number of equations.
+ * For each component and each precipitated mineral/solid phase one equation has to
+ * be solved.
+ */
+SET_PROP(TwoPNCMin, NumEq)
+{
+private:
+ typedef typename GET_PROP_TYPE(TypeTag, PTAG(FluidSystem)) FluidSystem;
+
+public:
+ static const int value = FluidSystem::numComponents + FluidSystem::numSPhases;
+};
+
+/*!
+ * \brief The fluid state which is used by the volume variables to
+ * store the thermodynamic state. This should be chosen
+ * appropriately for the model ((non-)isothermal, equilibrium, ...).
+ * This can be done in the problem.
+ */
+SET_PROP(TwoPNCMin, FluidState){
+ private:
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+ public:
+ typedef Dumux::CompositionalFluidState<Scalar, FluidSystem> type;
+};
+
+//! Use the 2pncmin local residual operator
+SET_TYPE_PROP(TwoPNCMin,
+ LocalResidual,
+ TwoPNCMinLocalResidual<TypeTag>);
+
+//! the Model property
+SET_TYPE_PROP(TwoPNCMin, Model, TwoPNCMinModel<TypeTag>);
+
+//! the VolumeVariables property
+SET_TYPE_PROP(TwoPNCMin, VolumeVariables, TwoPNCMinVolumeVariables<TypeTag>);
+
+//! the FluxVariables property
+SET_TYPE_PROP(TwoPNCMin, FluxVariables, TwoPNCMinFluxVariables<TypeTag>);
+
+//! The indices required by the isothermal 2pNcMin model
+SET_TYPE_PROP(TwoPNCMin, Indices, TwoPNCMinIndices <TypeTag, /*PVOffset=*/0>);
+
+//! disable useSalinity for the calculation of osmotic pressure by default
+SET_BOOL_PROP(TwoPNCMin, useSalinity, false);
+
+
+//! default value for the forchheimer coefficient
+// Source: Ward, J.C. 1964 Turbulent flow in porous media. ASCE J. Hydraul. Div 90.
+// Actually the Forchheimer coefficient is also a function of the dimensions of the
+// porous medium. Taking it as a constant is only a first approximation
+// (Nield, Bejan, Convection in porous media, 2006, p. 10)
+SET_SCALAR_PROP(TwoPNCMin, SpatialParamsForchCoeff, 0.55);
+
+}
+
+}
+
+#endif
diff --git a/dumux/porousmediumflow/2pncmin/implicit/volumevariables.hh b/dumux/porousmediumflow/2pncmin/implicit/volumevariables.hh
new file mode 100644
index 0000000000..84850e8988
--- /dev/null
+++ b/dumux/porousmediumflow/2pncmin/implicit/volumevariables.hh
@@ -0,0 +1,549 @@
+// -**- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ *
+ * \brief Contains the quantities which are constant within a
+ * finite volume in the two-phase, n-component mineralization model.
+ */
+#ifndef DUMUX_2PNCMin_VOLUME_VARIABLES_HH
+#define DUMUX_2PNCMin_VOLUME_VARIABLES_HH
+
+#include <dumux/implicit/model.hh>
+#include <dumux/material/fluidstates/compositionalfluidstate.hh>
+#include <dumux/common/math.hh>
+#include <vector>
+#include <iostream>
+
+#include "properties.hh"
+#include "indices.hh"
+#include <dumux/material/constraintsolvers/computefromreferencephase2pncmin.hh>
+#include <dumux/material/constraintsolvers/miscible2pnccomposition.hh>
+#include <dumux/porousmediumflow/2pnc/implicit/volumevariables.hh>
+
+namespace Dumux
+{
+
+/*!
+ * \ingroup TwoPNCMinModel
+ * \ingroup ImplicitVolumeVariables
+ * \brief Contains the quantities which are are constant within a
+ * finite volume in the two-phase, n-component model.
+ */
+template <class TypeTag>
+class TwoPNCMinVolumeVariables : public TwoPNCVolumeVariables<TypeTag>
+{
+ typedef TwoPNCVolumeVariables<TypeTag> ParentType;
+ typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) Implementation;
+
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef typename GET_PROP_TYPE(TypeTag, Grid) Grid;
+ typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
+ typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
+ typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
+ typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+ typedef typename GET_PROP_TYPE(TypeTag, MaterialLaw) MaterialLaw;
+ typedef typename GET_PROP_TYPE(TypeTag, MaterialLawParams) MaterialLawParams;
+ typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
+
+ enum
+ {
+ dim = GridView::dimension,
+ dimWorld=GridView::dimensionworld,
+
+ numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
+ numSPhases = GET_PROP_VALUE(TypeTag, NumSPhases),
+ numComponents = GET_PROP_VALUE(TypeTag, NumComponents),
+ numMajorComponents = GET_PROP_VALUE(TypeTag, NumMajorComponents),
+
+ // formulations
+ formulation = GET_PROP_VALUE(TypeTag, Formulation),
+ plSg = TwoPNCFormulation::plSg,
+ pgSl = TwoPNCFormulation::pgSl,
+
+ // phase indices
+ wPhaseIdx = FluidSystem::wPhaseIdx,
+ nPhaseIdx = FluidSystem::nPhaseIdx,
+
+ // component indices
+ wCompIdx = FluidSystem::wCompIdx,
+ nCompIdx = FluidSystem::nCompIdx,
+
+ // phase presence enums
+ nPhaseOnly = Indices::nPhaseOnly,
+ wPhaseOnly = Indices::wPhaseOnly,
+ bothPhases = Indices::bothPhases,
+
+ // primary variable indices
+ pressureIdx = Indices::pressureIdx,
+ switchIdx = Indices::switchIdx,
+
+ useSalinity = GET_PROP_VALUE(TypeTag, useSalinity)
+ };
+
+ typedef typename GridView::template Codim<0>::Entity Element;
+ typedef Dune::FieldVector<Scalar, dimWorld> GlobalPosition;
+ typedef typename Grid::ctype CoordScalar;
+ typedef Dumux::Miscible2pNCComposition<Scalar, FluidSystem> Miscible2pNCComposition;
+ typedef Dumux::ComputeFromReferencePhase2pNCMin<Scalar, FluidSystem> ComputeFromReferencePhase2pNCMin;
+
+ enum { isBox = GET_PROP_VALUE(TypeTag, ImplicitIsBox) };
+ enum { dofCodim = isBox ? dim : 0 };
+public:
+
+ typedef typename GET_PROP_TYPE(TypeTag, FluidState) FluidState;
+
+ /*!
+ * \copydoc ImplicitVolumeVariables::update
+ */
+ void update(const PrimaryVariables &priVars,
+ const Problem &problem,
+ const Element &element,
+ const FVElementGeometry &fvGeometry,
+ int scvIdx,
+ bool isOldSol)
+ {
+ ParentType::update(priVars,
+ problem,
+ element,
+ fvGeometry,
+ scvIdx,
+ isOldSol);
+
+ completeFluidState(priVars, problem, element, fvGeometry, scvIdx, this->fluidState_, isOldSol);
+
+ /////////////
+ // calculate the remaining quantities
+ /////////////
+
+ // porosity evaluation
+ initialPorosity_ = problem.spatialParams().porosity(element, fvGeometry, scvIdx);
+ minimumPorosity_ = problem.spatialParams().porosityMin(element, fvGeometry, scvIdx);
+
+
+ sumPrecipitates_ = 0.0;
+ for(int sPhaseIdx = 0; sPhaseIdx < numSPhases; ++sPhaseIdx)
+ {
+ precipitateVolumeFraction_[sPhaseIdx] = priVars[numComponents + sPhaseIdx];
+ sumPrecipitates_+= precipitateVolumeFraction_[sPhaseIdx];
+ }
+
+// for(int sPhaseIdx = 0; sPhaseIdx < numSPhases; ++sPhaseIdx)
+// {
+// Chemistry chemistry; // the non static functions can not be called without abject
+// saturationIdx_[sPhaseIdx] = chemistry.omega(sPhaseIdx);
+// }
+// TODO/FIXME: The salt crust porosity is not clearly defined. However form literature review it is
+// found that the salt crust have porosity of approx. 10 %. Thus we restrict the decrease in porosity
+// to this limit. Moreover in the Problem files the precipitation should also be made dependent on local
+// porosity value, as the porous media media properties change related to salt precipitation will not be
+// accounted otherwise.
+
+// this->porosity_ = initialPorosity_ - sumPrecipitates_;
+
+ this->porosity_ = std::max(minimumPorosity_, std::max(0.0, initialPorosity_ - sumPrecipitates_));
+
+ salinity_= 0.0;
+ moleFractionSalinity_ = 0.0;
+ for (int compIdx = numMajorComponents; compIdx< numComponents; compIdx++) //sum of the mass fraction of the components
+ {
+ if(this->fluidState_.moleFraction(wPhaseIdx, compIdx)> 0)
+ {
+ salinity_+= this->fluidState_.massFraction(wPhaseIdx, compIdx);
+ moleFractionSalinity_ += this->fluidState_.moleFraction(wPhaseIdx, compIdx);
+ }
+ }
+
+// TODO/FIXME: Different relations for the porosoty-permeability changes are given here. We have to fins a way
+// so that one can select the relation form the input file.
+
+ // kozeny-Carman relation
+ permeabilityFactor_ = std::pow(((1-initialPorosity_)/(1-this->porosity_)),2)
+ * std::pow((this->porosity_/initialPorosity_),3);
+
+ // Verma-Pruess relation
+// permeabilityFactor_ = 100 * std::pow(((this->porosity_/initialPorosity_)-0.9),2);
+
+ // Modified Fair-Hatch relation with final porosity set to 0.2 and E1=1
+// permeabilityFactor_ = std::pow((this->porosity_/initialPorosity_),3)
+// * std::pow((std::pow((1 - initialPorosity_),2/3))+(std::pow((0.2 - initialPorosity_),2/3)),2)
+// / std::pow((std::pow((1 -this->porosity_),2/3))+(std::pow((0.2 -this->porosity_),2/3)),2);
+
+ //Timur relation with residual water saturation set to 0.001
+// permeabilityFactor_ = 0.136 * (std::pow(this->porosity_,4.4)) / (2000 * (std::pow(0.001,2)));
+
+ //Timur relation1 with residual water saturation set to 0.001
+// permeabilityFactor_ = 0.136 * (std::pow(this->porosity_,4.4)) / (200000 * (std::pow(0.001,2)));
+
+
+ //Bern. relation
+ // permeabilityFactor_ = std::pow((this->porosity_/initialPorosity_),8);
+
+ //Tixier relation with residual water saturation set to 0.001
+ //permeabilityFactor_ = (std::pow((250 * (std::pow(this->porosity_,3)) / 0.001),2)) / initialPermeability_;
+
+ //Coates relation with residual water saturation set to 0.001
+ //permeabilityFactor_ = (std::pow((100 * (std::pow(this->porosity_,2)) * (1-0.001) / 0.001,2))) / initialPermeability_ ;
+
+
+ // energy related quantities not contained in the fluid state
+ //asImp_().updateEnergy_(priVars, problem,element, fvGeometry, scvIdx, isOldSol);
+ }
+
+ /*!
+ * \copydoc ImplicitModel::completeFluidState
+ * \param isOldSol Specifies whether this is the previous solution or the current one
+ */
+ static void completeFluidState(const PrimaryVariables& priVars,
+ const Problem& problem,
+ const Element& element,
+ const FVElementGeometry& fvGeometry,
+ int scvIdx,
+ FluidState& fluidState,
+ bool isOldSol = false)
+
+ {
+ Scalar t = Implementation::temperature_(priVars, problem, element,fvGeometry, scvIdx);
+ fluidState.setTemperature(t);
+
+ int dofIdxGlobal = problem.model().dofMapper().subIndex(element, scvIdx, dofCodim);
+ int phasePresence = problem.model().phasePresence(dofIdxGlobal, isOldSol);
+
+ /////////////
+ // set the saturations
+ /////////////
+
+ Scalar Sg;
+ if (phasePresence == nPhaseOnly)
+ Sg = 1.0;
+ else if (phasePresence == wPhaseOnly) {
+ Sg = 0.0;
+ }
+ else if (phasePresence == bothPhases) {
+ if (formulation == plSg)
+ Sg = priVars[switchIdx];
+ else if (formulation == pgSl)
+ Sg = 1.0 - priVars[switchIdx];
+ else DUNE_THROW(Dune::InvalidStateException, "Formulation: " << formulation << " is invalid.");
+ }
+ else DUNE_THROW(Dune::InvalidStateException, "phasePresence: " << phasePresence << " is invalid.");
+ fluidState.setSaturation(nPhaseIdx, Sg);
+ fluidState.setSaturation(wPhaseIdx, 1.0 - Sg);
+
+ /////////////
+ // set the pressures of the fluid phases
+ /////////////
+
+ // calculate capillary pressure
+ const MaterialLawParams &materialParams = problem.spatialParams().materialLawParams(element, fvGeometry, scvIdx);
+ Scalar pc = MaterialLaw::pc(materialParams, 1 - Sg);
+
+ // extract the pressures
+ if (formulation == plSg) {
+ fluidState.setPressure(wPhaseIdx, priVars[pressureIdx]);
+ fluidState.setPressure(nPhaseIdx, priVars[pressureIdx] + pc);
+ }
+ else if (formulation == pgSl) {
+ fluidState.setPressure(nPhaseIdx, priVars[pressureIdx]);
+ fluidState.setPressure(wPhaseIdx, priVars[pressureIdx] - pc);
+ }
+ else DUNE_THROW(Dune::InvalidStateException, "Formulation: " << formulation << " is invalid.");
+
+ /////////////
+ // calculate the phase compositions
+ /////////////
+
+ typename FluidSystem::ParameterCache paramCache;
+
+ // now comes the tricky part: calculate phase composition
+ if (phasePresence == bothPhases) {
+ // both phases are present, phase composition results from
+ // the gas <-> liquid equilibrium. This is
+ // the job of the "MiscibleMultiPhaseComposition"
+ // constraint solver
+
+ // set the known mole fractions in the fluidState so that they
+ // can be used by the Miscible2pNcComposition constraint solver
+ for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx)
+ {
+ fluidState.setMoleFraction(wPhaseIdx, compIdx, priVars[compIdx]);
+ }
+
+ Miscible2pNCComposition::solve(fluidState,
+ paramCache,
+ wPhaseIdx, //known phaseIdx
+ /*setViscosity=*/true,
+ /*setInternalEnergy=*/false);
+ }
+ else if (phasePresence == nPhaseOnly){
+
+ Dune::FieldVector<Scalar, numComponents> moleFrac;
+ Dune::FieldVector<Scalar, numComponents> fugCoeffL;
+ Dune::FieldVector<Scalar, numComponents> fugCoeffG;
+
+ for (int compIdx=0; compIdx<numComponents; ++compIdx)
+ {
+ fugCoeffL[compIdx] = FluidSystem::fugacityCoefficient(fluidState,
+ paramCache,
+ wPhaseIdx,
+ compIdx);
+ fugCoeffG[compIdx] = FluidSystem::fugacityCoefficient(fluidState,
+ paramCache,
+ nPhaseIdx,
+ compIdx);
+ }
+ for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx)
+ moleFrac[compIdx] = (priVars[compIdx]*fugCoeffL[compIdx]*fluidState.pressure(wPhaseIdx))
+ /(fugCoeffG[compIdx]*fluidState.pressure(nPhaseIdx));
+
+ moleFrac[wCompIdx] = priVars[switchIdx];
+ Scalar sumMoleFracNotGas = 0;
+ for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx)
+ {
+ sumMoleFracNotGas+=moleFrac[compIdx];
+ }
+ sumMoleFracNotGas += moleFrac[wCompIdx];
+ moleFrac[nCompIdx] = 1 - sumMoleFracNotGas;
+
+// typedef Dune::FieldMatrix<Scalar, numComponents, numComponents> Matrix;
+// typedef Dune::FieldVector<Scalar, numComponents> Vector;
+
+
+ // Set fluid state mole fractions
+ for (int compIdx=0; compIdx<numComponents; ++compIdx)
+ {
+ fluidState.setMoleFraction(nPhaseIdx, compIdx, moleFrac[compIdx]);
+ }
+
+ // calculate the composition of the remaining phases (as
+ // well as the densities of all phases). this is the job
+ // of the "ComputeFromReferencePhase2pNc" constraint solver
+ ComputeFromReferencePhase2pNCMin::solve(fluidState,
+ paramCache,
+ nPhaseIdx,
+ nPhaseOnly,
+ /*setViscosity=*/true,
+ /*setInternalEnergy=*/false);
+
+ }
+ else if (phasePresence == wPhaseOnly){
+
+ // only the liquid phase is present, i.e. liquid phase
+ // composition is stored explicitly.
+ // extract _mass_ fractions in the gas phase
+ Dune::FieldVector<Scalar, numComponents> moleFrac;
+
+ for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx)
+ {
+ moleFrac[compIdx] = priVars[compIdx];
+ }
+ moleFrac[nCompIdx] = priVars[switchIdx];
+ Scalar sumMoleFracNotWater = 0;
+ for (int compIdx=numMajorComponents; compIdx<numComponents; ++compIdx)
+ {
+ sumMoleFracNotWater+=moleFrac[compIdx];
+ }
+ sumMoleFracNotWater += moleFrac[nCompIdx];
+ moleFrac[wCompIdx] = 1 -sumMoleFracNotWater;
+
+// convert mass to mole fractions and set the fluid state
+ for (int compIdx=0; compIdx<numComponents; ++compIdx)
+ {
+ fluidState.setMoleFraction(wPhaseIdx, compIdx, moleFrac[compIdx]);
+ }
+
+// calculate the composition of the remaining phases (as
+// well as the densities of all phases). this is the job
+// of the "ComputeFromReferencePhase2pNc" constraint solver
+ ComputeFromReferencePhase2pNCMin::solve(fluidState,
+ paramCache,
+ wPhaseIdx,
+ wPhaseOnly,
+ /*setViscosity=*/true,
+ /*setInternalEnergy=*/false);
+ }
+ paramCache.updateAll(fluidState);
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ {
+ Scalar h = Implementation::enthalpy_(fluidState, paramCache, phaseIdx);
+ fluidState.setEnthalpy(phaseIdx, h);
+ }
+ }
+ /*!
+ * \brief Returns the volume fraction of the precipitate (solid phase)
+ * for the given phaseIdx
+ *
+ * \param phaseIdx the index of the solid phase
+ */
+ Scalar precipitateVolumeFraction(int phaseIdx) const
+ { return precipitateVolumeFraction_[phaseIdx - numPhases]; }
+
+ /*!
+ * \brief Returns the inital porosity of the
+ * pure, precipitate-free porous medium
+ */
+ Scalar initialPorosity() const
+ { return initialPorosity_;}
+
+ /*!
+ * \brief Returns the inital permeability of the
+ * pure, precipitate-free porous medium
+ */
+ Scalar initialPermeability() const
+ { return initialPermeability_;}
+
+ /*!
+ * \brief Returns the factor for the reduction of the initial permeability
+ * due precipitates in the porous medium
+ */
+ Scalar permeabilityFactor() const
+ { return permeabilityFactor_; }
+
+// /*!
+// * \brief Returns the mole fraction of a component in the phase
+// *
+// * \param phaseIdx the index of the fluid phase
+// * \param compIdx the index of the component
+// */
+// Scalar moleFraction(int phaseIdx, int compIdx) const
+// {
+// return this->fluidState_.moleFraction(phaseIdx, compIdx);
+// }
+
+ /*!
+ * \brief Returns the mole fraction of the salinity in the liquid phase
+ */
+ Scalar moleFracSalinity() const
+ {
+ return moleFractionSalinity_;
+ }
+
+ /*!
+ * \brief Returns the salinity (mass fraction) in the liquid phase
+ */
+ Scalar salinity() const
+ {
+ return salinity_;
+ }
+
+ /*!
+ * \brief Returns the density of the phase for all fluid and solid phases
+ *
+ * \param phaseIdx the index of the fluid phase
+ */
+ Scalar density(int phaseIdx) const
+ {
+ if (phaseIdx < numPhases)
+ return this->fluidState_.density(phaseIdx);
+ else if (phaseIdx >= numPhases)
+ return FluidSystem::precipitateDensity(phaseIdx);
+ else
+ DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx);
+ }
+ /*!
+ * \brief Returns the mass density of a given phase within the
+ * control volume.
+ *
+ * \param phaseIdx The phase index
+ */
+ Scalar molarDensity(int phaseIdx) const
+ {
+ if (phaseIdx < numPhases)
+ return this->fluidState_.molarDensity(phaseIdx);
+ else if (phaseIdx >= numPhases)
+ return FluidSystem::precipitateMolarDensity(phaseIdx);
+ else
+ DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx);
+ }
+
+ /*!
+ * \brief Returns the molality of a component in the phase
+ *
+ * \param phaseIdx the index of the fluid phase
+ * \param compIdx the index of the component
+ * molality=\frac{n_{component}}{m_{solvent}}
+ * =\frac{n_{component}}{n_{solvent}*M_{solvent}}
+ * compIdx of the main component (solvent) in the
+ * phase is equal to the phaseIdx
+ */
+ Scalar molality(int phaseIdx, int compIdx) const // [moles/Kg]
+ { return this->fluidState_.moleFraction(phaseIdx, compIdx)
+ /(fluidState_.moleFraction(phaseIdx, phaseIdx)
+ * FluidSystem::molarMass(phaseIdx));}
+
+protected:
+ friend class TwoPNCVolumeVariables<TypeTag>;
+ static Scalar temperature_(const PrimaryVariables &priVars,
+ const Problem& problem,
+ const Element &element,
+ const FVElementGeometry &fvGeometry,
+ int scvIdx)
+ {
+ return problem.temperatureAtPos(fvGeometry.subContVol[scvIdx].global);
+ }
+
+ template<class ParameterCache>
+ static Scalar enthalpy_(const FluidState& fluidState,
+ const ParameterCache& paramCache,
+ int phaseIdx)
+ {
+ return 0;
+ }
+
+ /*!
+ * \brief Update all quantities for a given control volume.
+ *
+ * \param priVars The solution primary variables
+ * \param problem The problem
+ * \param element The element
+ * \param fvGeometry Evaluate function with solution of current or previous time step
+ * \param scvIdx The local index of the SCV (sub-control volume)
+ * \param isOldSol Evaluate function with solution of current or previous time step
+ */
+ void updateEnergy_(const PrimaryVariables &priVars,
+ const Problem &problem,
+ const Element &element,
+ const FVElementGeometry &fvGeometry,
+ const int scvIdx,
+ bool isOldSol)
+ { };
+
+ Scalar precipitateVolumeFraction_[numSPhases];
+// Scalar saturationIdx_[numSPhases];
+ Scalar permeabilityFactor_;
+ Scalar initialPorosity_;
+ Scalar initialPermeability_;
+ Scalar minimumPorosity_;
+ Scalar sumPrecipitates_;
+ Scalar salinity_;
+ Scalar moleFractionSalinity_;
+ FluidState fluidState_;
+
+private:
+ Implementation &asImp_()
+ { return *static_cast<Implementation*>(this); }
+
+ const Implementation &asImp_() const
+ { return *static_cast<const Implementation*>(this); }
+};
+
+} // end namespace
+
+#endif
diff --git a/dumux/porousmediumflow/3p3c/implicit/fluxvariables.hh b/dumux/porousmediumflow/3p3c/implicit/fluxvariables.hh
new file mode 100644
index 0000000000..a579e5090d
--- /dev/null
+++ b/dumux/porousmediumflow/3p3c/implicit/fluxvariables.hh
@@ -0,0 +1,386 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ * \brief This file contains the data which is required to calculate
+ * all fluxes of components over a face of a finite volume for
+ * the three-phase three-component model.
+ */
+#ifndef DUMUX_3P3C_FLUX_VARIABLES_HH
+#define DUMUX_3P3C_FLUX_VARIABLES_HH
+
+#include <dumux/common/math.hh>
+#include <dumux/common/spline.hh>
+
+#include "properties.hh"
+
+namespace Dumux
+{
+
+/*!
+ * \ingroup ThreePThreeCModel
+ * \ingroup ImplicitFluxVariables
+ * \brief This template class contains the data which is required to
+ * calculate all fluxes of components over a face of a finite
+ * volume for the three-phase three-component model.
+ *
+ * This means pressure and concentration gradients, phase densities at
+ * the integration point, etc.
+ */
+template <class TypeTag>
+class ThreePThreeCFluxVariables : public GET_PROP_TYPE(TypeTag, BaseFluxVariables)
+{
+ typedef typename GET_PROP_TYPE(TypeTag, BaseFluxVariables) BaseFluxVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
+
+ typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
+ typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
+
+ typedef typename GridView::template Codim<0>::Entity Element;
+ typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, EffectiveDiffusivityModel) EffectiveDiffusivityModel;
+
+ enum {
+ dim = GridView::dimension,
+ dimWorld = GridView::dimensionworld,
+ numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
+ numComponents = GET_PROP_VALUE(TypeTag, NumComponents)
+ };
+
+ typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
+
+ typedef Dune::FieldVector<Scalar, dim> DimVector;
+ typedef Dune::FieldVector<Scalar, dimWorld> GlobalPosition;
+
+ typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
+ enum {
+ wPhaseIdx = Indices::wPhaseIdx,
+ nPhaseIdx = Indices::nPhaseIdx,
+ gPhaseIdx = Indices::gPhaseIdx,
+
+ wCompIdx = Indices::wCompIdx,
+ nCompIdx = Indices::nCompIdx,
+ gCompIdx = Indices::gCompIdx
+ };
+
+public:
+ /*!
+ * \brief The constructor
+ *
+ * \param problem The problem
+ * \param element The finite element
+ * \param fvGeometry The finite-volume geometry in the fully implicit scheme
+ * \param fIdx The local index of the SCV (sub-control-volume) face
+ * \param elemVolVars The volume variables of the current element
+ * \param onBoundary Evaluate flux at inner sub-control-volume face or on a boundary face
+ */
+ ThreePThreeCFluxVariables(const Problem &problem,
+ const Element &element,
+ const FVElementGeometry &fvGeometry,
+ const int fIdx,
+ const ElementVolumeVariables &elemVolVars,
+ const bool onBoundary = false)
+ : BaseFluxVariables(problem, element, fvGeometry, fIdx, elemVolVars, onBoundary)
+ {
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
+ density_[phaseIdx] = Scalar(0);
+ molarDensity_[phaseIdx] = Scalar(0);
+ massFractionCompWGrad_[phaseIdx] = Scalar(0);
+ massFractionCompNGrad_[phaseIdx] = Scalar(0);
+ massFractionCompGGrad_[phaseIdx] = Scalar(0);
+ moleFractionCompWGrad_[phaseIdx] = Scalar(0);
+ moleFractionCompNGrad_[phaseIdx] = Scalar(0);
+ moleFractionCompGGrad_[phaseIdx] = Scalar(0);
+ }
+
+ calculateGradients_(problem, element, elemVolVars);
+ calculatePorousDiffCoeff_(problem, element, elemVolVars);
+ };
+
+private:
+ void calculateGradients_(const Problem &problem,
+ const Element &element,
+ const ElementVolumeVariables &elemVolVars)
+ {
+ // calculate gradients
+ GlobalPosition tmp(0.0);
+ for (unsigned int idx = 0;
+ idx < this->face().numFap;
+ idx++) // loop over adjacent vertices
+ {
+ // FE gradient at vertex idx
+ const GlobalPosition &feGrad = this->face().grad[idx];
+
+ // index for the element volume variables
+ int volVarsIdx = this->face().fapIndices[idx];
+
+ // the concentration gradient of the components
+ // component in the phases
+ tmp = feGrad;
+ tmp *= elemVolVars[volVarsIdx].massFraction(wPhaseIdx, wCompIdx);
+ massFractionCompWGrad_[wPhaseIdx] += tmp;
+
+ tmp = feGrad;
+ tmp *= elemVolVars[volVarsIdx].massFraction(nPhaseIdx, wCompIdx);
+ massFractionCompWGrad_[nPhaseIdx] += tmp;
+
+ tmp = feGrad;
+ tmp *= elemVolVars[volVarsIdx].massFraction(gPhaseIdx, wCompIdx);
+ massFractionCompWGrad_[gPhaseIdx] += tmp;
+
+ tmp = feGrad;
+ tmp *= elemVolVars[volVarsIdx].massFraction(wPhaseIdx, nCompIdx);
+ massFractionCompNGrad_[wPhaseIdx] += tmp;
+
+ tmp = feGrad;
+ tmp *= elemVolVars[volVarsIdx].massFraction(nPhaseIdx, nCompIdx);
+ massFractionCompNGrad_[nPhaseIdx] += tmp;
+
+ tmp = feGrad;
+ tmp *= elemVolVars[volVarsIdx].massFraction(gPhaseIdx, nCompIdx);
+ massFractionCompNGrad_[gPhaseIdx] += tmp;
+
+ tmp = feGrad;
+ tmp *= elemVolVars[volVarsIdx].massFraction(wPhaseIdx, gCompIdx);
+ massFractionCompGGrad_[wPhaseIdx] += tmp;
+
+ tmp = feGrad;
+ tmp *= elemVolVars[volVarsIdx].massFraction(nPhaseIdx, gCompIdx);
+ massFractionCompGGrad_[nPhaseIdx] += tmp;
+
+ tmp = feGrad;
+ tmp *= elemVolVars[volVarsIdx].massFraction(gPhaseIdx, gCompIdx);
+ massFractionCompGGrad_[gPhaseIdx] += tmp;
+
+ // the molar concentration gradients of the components
+ // in the phases
+ tmp = feGrad;
+ tmp *= elemVolVars[volVarsIdx].moleFraction(wPhaseIdx, wCompIdx);
+ moleFractionCompWGrad_[wPhaseIdx] += tmp;
+
+ tmp = feGrad;
+ tmp *= elemVolVars[volVarsIdx].moleFraction(nPhaseIdx, wCompIdx);
+ moleFractionCompWGrad_[nPhaseIdx] += tmp;
+
+ tmp = feGrad;
+ tmp *= elemVolVars[volVarsIdx].moleFraction(gPhaseIdx, wCompIdx);
+ moleFractionCompWGrad_[gPhaseIdx] += tmp;
+
+ tmp = feGrad;
+ tmp *= elemVolVars[volVarsIdx].moleFraction(wPhaseIdx, nCompIdx);
+ moleFractionCompNGrad_[wPhaseIdx] += tmp;
+
+ tmp = feGrad;
+ tmp *= elemVolVars[volVarsIdx].moleFraction(nPhaseIdx, nCompIdx);
+ moleFractionCompNGrad_[nPhaseIdx] += tmp;
+
+ tmp = feGrad;
+ tmp *= elemVolVars[volVarsIdx].moleFraction(gPhaseIdx, nCompIdx);
+ moleFractionCompNGrad_[gPhaseIdx] += tmp;
+
+ tmp = feGrad;
+ tmp *= elemVolVars[volVarsIdx].moleFraction(wPhaseIdx, gCompIdx);
+ moleFractionCompGGrad_[wPhaseIdx] += tmp;
+
+ tmp = feGrad;
+ tmp *= elemVolVars[volVarsIdx].moleFraction(nPhaseIdx, gCompIdx);
+ moleFractionCompGGrad_[nPhaseIdx] += tmp;
+
+ tmp = feGrad;
+ tmp *= elemVolVars[volVarsIdx].moleFraction(gPhaseIdx, gCompIdx);
+ moleFractionCompGGrad_[gPhaseIdx] += tmp;
+ }
+ }
+
+ Scalar rhoFactor_(int phaseIdx, int scvIdx, const ElementVolumeVariables &elemVolVars)
+ {
+ static const Scalar eps = 1e-2;
+ const Scalar sat = elemVolVars[scvIdx].density(phaseIdx);
+ if (sat > eps)
+ return 0.5;
+ if (sat <= 0)
+ return 0;
+
+ static const Dumux::Spline<Scalar> sp(0, eps, // x0, x1
+ 0, 0.5, // y0, y1
+ 0, 0); // m0, m1
+ return sp.eval(sat);
+ }
+
+ void calculatePorousDiffCoeff_(const Problem &problem,
+ const Element &element,
+ const ElementVolumeVariables &elemVolVars)
+ {
+
+ const VolumeVariables &volVarsI = elemVolVars[this->face().i];
+ const VolumeVariables &volVarsJ = elemVolVars[this->face().j];
+
+ Dune::FieldMatrix<Scalar, numPhases, numComponents> diffusionCoefficientMatrix_i = volVarsI.diffusionCoefficient();
+ Dune::FieldMatrix<Scalar, numPhases, numComponents> diffusionCoefficientMatrix_j = volVarsJ.diffusionCoefficient();
+
+ // the effective diffusion coefficients at vertex i and j
+ Scalar diffCoeffI;
+ Scalar diffCoeffJ;
+
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ {
+ // make sure to calculate only diffusion coefficents
+ // for phases which exist in both finite volumes
+ /* \todo take care: This should be discussed once again
+ * as long as a meaningful value can be found for the required mole fraction
+ * diffusion should work even without this one here */
+ if (volVarsI.saturation(phaseIdx) <= 0 ||
+ volVarsJ.saturation(phaseIdx) <= 0)
+ {
+ porousDiffCoeff_[phaseIdx][wCompIdx] = 0.0;
+ porousDiffCoeff_[phaseIdx][nCompIdx] = 0.0;
+ porousDiffCoeff_[phaseIdx][gCompIdx] = 0.0;
+ continue;
+ }
+
+ // Diffusion coefficient in the porous medium
+ diffCoeffI = EffectiveDiffusivityModel::effectiveDiffusivity(volVarsI.porosity(),
+ volVarsI.saturation(phaseIdx),
+ diffusionCoefficientMatrix_i[phaseIdx][wCompIdx]);
+ diffCoeffJ = EffectiveDiffusivityModel::effectiveDiffusivity(volVarsJ.porosity(),
+ volVarsJ.saturation(phaseIdx),
+ diffusionCoefficientMatrix_j[phaseIdx][wCompIdx]);
+
+ // -> harmonic mean
+ porousDiffCoeff_[phaseIdx][wCompIdx] = harmonicMean(diffCoeffI, diffCoeffJ);
+
+ // Diffusion coefficient in the porous medium
+ diffCoeffI = EffectiveDiffusivityModel::effectiveDiffusivity(volVarsI.porosity(),
+ volVarsI.saturation(phaseIdx),
+ diffusionCoefficientMatrix_i[phaseIdx][nCompIdx]);
+ diffCoeffJ = EffectiveDiffusivityModel::effectiveDiffusivity(volVarsJ.porosity(),
+ volVarsJ.saturation(phaseIdx),
+ diffusionCoefficientMatrix_j[phaseIdx][nCompIdx]);
+
+ // -> harmonic mean
+ porousDiffCoeff_[phaseIdx][nCompIdx] = harmonicMean(diffCoeffI, diffCoeffJ);
+
+ // Diffusion coefficient in the porous medium
+ diffCoeffI = EffectiveDiffusivityModel::effectiveDiffusivity(volVarsI.porosity(),
+ volVarsI.saturation(phaseIdx),
+ diffusionCoefficientMatrix_i[phaseIdx][gCompIdx]);
+ diffCoeffJ = EffectiveDiffusivityModel::effectiveDiffusivity(volVarsJ.porosity(),
+ volVarsJ.saturation(phaseIdx),
+ diffusionCoefficientMatrix_j[phaseIdx][gCompIdx]);
+
+ // -> harmonic mean
+ porousDiffCoeff_[phaseIdx][gCompIdx] = harmonicMean(diffCoeffI, diffCoeffJ);
+ }
+ }
+
+public:
+ /*!
+ * \brief The diffusivity matrix
+ *
+ * \tparam Scalar Field type
+ * \tparam numPhases The number of phases of the problem
+ * \tparam numComponents The number of components of the problem
+ */
+ Dune::FieldMatrix<Scalar, numPhases, numComponents> porousDiffCoeff() const
+ { return porousDiffCoeff_; };
+
+ /*!
+ * \brief Return density \f$\mathrm{[kg/m^3]}\f$ of a phase.
+ *
+ * \param phaseIdx The phase index
+ */
+ Scalar density(int phaseIdx) const
+ { return density_[phaseIdx]; }
+
+ /*!
+ * \brief Return molar density \f$\mathrm{[mol/m^3]}\f$ of a phase.
+ *
+ * \param phaseIdx The phase index
+ */
+ Scalar molarDensity(int phaseIdx) const
+ { return molarDensity_[phaseIdx]; }
+
+ /*!
+ * \brief The mass fraction gradient of the water in a phase.
+ *
+ * \param phaseIdx The phase index
+ */
+ const GlobalPosition &massFractionCompWGrad(int phaseIdx) const
+ {return massFractionCompWGrad_[phaseIdx];}
+
+ /*!
+ * \brief The mass fraction gradient of the contaminant in a phase.
+ *
+ * \param phaseIdx The phase index
+ */
+ const GlobalPosition &massFractionCompNGrad(int phaseIdx) const
+ { return massFractionCompNGrad_[phaseIdx]; };
+
+ /*!
+ * \brief The mass fraction gradient of gas in a phase.
+ *
+ * \param phaseIdx The phase index
+ */
+ const GlobalPosition &massFractionCompGGrad(int phaseIdx) const
+ { return massFractionCompGGrad_[phaseIdx]; };
+
+ /*!
+ * \brief The mole fraction gradient of the water in a phase.
+ *
+ * \param phaseIdx The phase index
+ */
+ const GlobalPosition &moleFractionCompWGrad(int phaseIdx) const
+ { return moleFractionCompWGrad_[phaseIdx]; };
+
+ /*!
+ * \brief The mole fraction gradient of the contaminant in a phase.
+ *
+ * \param phaseIdx The phase index
+ */
+ const GlobalPosition &moleFractionCompNGrad(int phaseIdx) const
+ { return moleFractionCompNGrad_[phaseIdx]; };
+
+ /*!
+ * \brief The mole fraction gradient of gas in a phase.
+ *
+ * \param phaseIdx The phase index
+ */
+ const GlobalPosition &moleFractionCompGGrad(int phaseIdx) const
+ { return moleFractionCompGGrad_[phaseIdx]; };
+
+protected:
+ // gradients
+ GlobalPosition massFractionCompWGrad_[numPhases];
+ GlobalPosition massFractionCompNGrad_[numPhases];
+ GlobalPosition massFractionCompGGrad_[numPhases];
+ GlobalPosition moleFractionCompWGrad_[numPhases];
+ GlobalPosition moleFractionCompNGrad_[numPhases];
+ GlobalPosition moleFractionCompGGrad_[numPhases];
+
+ // density of each face at the integration point
+ Scalar density_[numPhases], molarDensity_[numPhases];
+
+ // the diffusivity matrix for the porous medium
+ Dune::FieldMatrix<Scalar, numPhases, numComponents> porousDiffCoeff_;
+};
+
+} // end namespace
+
+#endif
diff --git a/dumux/porousmediumflow/3p3c/implicit/indices.hh b/dumux/porousmediumflow/3p3c/implicit/indices.hh
new file mode 100644
index 0000000000..cd832f5ec6
--- /dev/null
+++ b/dumux/porousmediumflow/3p3c/implicit/indices.hh
@@ -0,0 +1,90 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ * \brief Defines the indices required for the three-phase three-component
+ * fully implicit model.
+ */
+#ifndef DUMUX_3P3C_INDICES_HH
+#define DUMUX_3P3C_INDICES_HH
+
+#include "properties.hh"
+
+namespace Dumux
+{
+
+/*!
+ * \ingroup ThreePThreeCModel
+ * \ingroup ImplicitIndices
+ * \brief The indices for the isothermal three-phase three-component model.
+ *
+ * \tparam formulation The formulation, only pgSwSn is available.
+ * \tparam PVOffset The first index in a primary variable vector.
+ */
+template <class TypeTag, int PVOffset = 0>
+class ThreePThreeCIndices
+{
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+
+public:
+ // Phase indices
+ static const int wPhaseIdx = FluidSystem::wPhaseIdx; //!< index of the wetting liquid phase
+ static const int nPhaseIdx = FluidSystem::nPhaseIdx; //!< index of the nonwetting liquid phase
+ static const int gPhaseIdx = FluidSystem::gPhaseIdx; //!< index of the gas phase
+
+ // Component indices to indicate the main component
+ // of the corresponding phase at atmospheric pressure 1 bar
+ // and room temperature 20°C:
+ static const int wCompIdx = FluidSystem::wCompIdx;
+ static const int nCompIdx = FluidSystem::nCompIdx;
+ static const int gCompIdx = FluidSystem::gCompIdx;
+
+ // present phases (-> 'pseudo' primary variable)
+ static const int threePhases = 1; //!< All three phases are present
+ static const int wPhaseOnly = 2; //!< Only the water phase is present
+ static const int gnPhaseOnly = 3; //!< Only gas and NAPL phases are present
+ static const int wnPhaseOnly = 4; //!< Only water and NAPL phases are present
+ static const int gPhaseOnly = 5; //!< Only gas phase is present
+ static const int wgPhaseOnly = 6; //!< Only water and gas phases are present
+
+ // Primary variable indices
+ static const int pressureIdx = PVOffset + 0; //!< Index for gas phase pressure in a solution vector
+ static const int switch1Idx = PVOffset + 1; //!< Index 1 of saturation or mole fraction
+ static const int switch2Idx = PVOffset + 2; //!< Index 2 of saturation or mole fraction
+
+ //! Index for gas phase pressure in a solution vector
+ static const int pgIdx = pressureIdx;
+ //! Index of either the saturation of the wetting phase or the mole fraction secondary component if a phase is not present
+ static const int sOrX1Idx = switch1Idx;
+ //! Index of either the saturation of the nonwetting phase or the mole fraction secondary component if a phase is not present
+ static const int sOrX2Idx = switch2Idx;
+
+ // equation indices
+ static const int conti0EqIdx = PVOffset + wCompIdx; //!< Index of the mass conservation equation for the water component
+ static const int conti1EqIdx = conti0EqIdx + nCompIdx; //!< Index of the mass conservation equation for the contaminant component
+ static const int conti2EqIdx = conti0EqIdx + gCompIdx; //!< Index of the mass conservation equation for the gas component
+
+ static const int contiWEqIdx = conti0EqIdx + wCompIdx; //!< index of the mass conservation equation for the water component
+ static const int contiNEqIdx = conti0EqIdx + nCompIdx; //!< index of the mass conservation equation for the contaminant component
+ static const int contiGEqIdx = conti0EqIdx + gCompIdx; //!< index of the mass conservation equation for the air component
+};
+
+}
+
+#endif
diff --git a/dumux/porousmediumflow/3p3c/implicit/localresidual.hh b/dumux/porousmediumflow/3p3c/implicit/localresidual.hh
new file mode 100644
index 0000000000..79014d6c22
--- /dev/null
+++ b/dumux/porousmediumflow/3p3c/implicit/localresidual.hh
@@ -0,0 +1,238 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ *
+ * \brief Element-wise calculation of the Jacobian matrix for problems
+ * using the three-phase three-component fully implicit model.
+ */
+#ifndef DUMUX_3P3C_LOCAL_RESIDUAL_HH
+#define DUMUX_3P3C_LOCAL_RESIDUAL_HH
+
+#include "properties.hh"
+
+namespace Dumux
+{
+/*!
+ * \ingroup ThreePThreeCModel
+ * \ingroup ImplicitLocalResidual
+ * \brief Element-wise calculation of the Jacobian matrix for problems
+ * using the three-phase three-component fully implicit model.
+ *
+ * This class is used to fill the gaps in BoxLocalResidual for the 3P3C flow.
+ */
+template<class TypeTag>
+class ThreePThreeCLocalResidual: public GET_PROP_TYPE(TypeTag, BaseLocalResidual)
+{
+protected:
+ typedef typename GET_PROP_TYPE(TypeTag, LocalResidual) Implementation;
+
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
+
+ enum {
+ numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
+ numComponents = GET_PROP_VALUE(TypeTag, NumComponents),
+
+ conti0EqIdx = Indices::conti0EqIdx,//!< Index of the mass conservation equation for the water component
+ conti1EqIdx = Indices::conti1EqIdx,//!< Index of the mass conservation equation for the contaminant component
+ conti2EqIdx = Indices::conti2EqIdx,//!< Index of the mass conservation equation for the gas component
+
+ wPhaseIdx = Indices::wPhaseIdx,
+ nPhaseIdx = Indices::nPhaseIdx,
+ gPhaseIdx = Indices::gPhaseIdx,
+
+ wCompIdx = Indices::wCompIdx,
+ nCompIdx = Indices::nCompIdx,
+ gCompIdx = Indices::gCompIdx
+ };
+
+ typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, FluxVariables) FluxVariables;
+
+public:
+ /*!
+ * \brief Evaluate the amount of all conservation quantities
+ * (e.g. phase mass) within a sub-control volume.
+ *
+ * The result should be averaged over the volume (e.g. phase mass
+ * inside a sub control volume divided by the volume)
+ *
+ * \param storage The mass of the component within the sub-control volume
+ * \param scvIdx The SCV (sub-control-volume) index
+ * \param usePrevSol Evaluate function with solution of current or previous time step
+ */
+ void computeStorage(PrimaryVariables &storage, const int scvIdx, bool usePrevSol) const
+ {
+ // if flag usePrevSol is set, the solution from the previous
+ // time step is used, otherwise the current solution is
+ // used. The secondary variables are used accordingly. This
+ // is required to compute the derivative of the storage term
+ // using the implicit euler method.
+ const ElementVolumeVariables &elemVolVars =
+ usePrevSol
+ ? this->prevVolVars_()
+ : this->curVolVars_();
+ const VolumeVariables &volVars = elemVolVars[scvIdx];
+
+ // compute storage term of all components within all phases
+ storage = 0;
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx)
+ {
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ {
+ storage[conti0EqIdx + compIdx] +=
+ volVars.porosity()
+ * volVars.saturation(phaseIdx)
+ * volVars.molarDensity(phaseIdx)
+ * volVars.moleFraction(phaseIdx, compIdx);
+ }
+ }
+ }
+
+ /*!
+ * \brief Evaluates the total flux of all conservation quantities
+ * over a face of a sub-control volume.
+ *
+ * \param flux The flux over the SCV (sub-control-volume) face for each component
+ * \param fIdx The index of the SCV face
+ * \param onBoundary A boolean variable to specify whether the flux variables
+ * are calculated for interior SCV faces or boundary faces, default=false
+ */
+ void computeFlux(PrimaryVariables &flux, const int fIdx, const bool onBoundary=false) const
+ {
+ FluxVariables fluxVars(this->problem_(),
+ this->element_(),
+ this->fvGeometry_(),
+ fIdx,
+ this->curVolVars_(),
+ onBoundary);
+
+ flux = 0;
+ asImp_()->computeAdvectiveFlux(flux, fluxVars);
+ asImp_()->computeDiffusiveFlux(flux, fluxVars);
+ }
+
+ /*!
+ * \brief Evaluates the advective mass flux of all components over
+ * a face of a subcontrol volume.
+ *
+ * \param flux The advective flux over the sub-control-volume face for each component
+ * \param fluxVars The flux variables at the current SCV
+ */
+
+ void computeAdvectiveFlux(PrimaryVariables &flux, const FluxVariables &fluxVars) const
+ {
+ Scalar massUpwindWeight = GET_PARAM_FROM_GROUP(TypeTag, Scalar, Implicit, MassUpwindWeight);
+
+ ////////
+ // advective fluxes of all components in all phases
+ ////////
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ {
+ // data attached to upstream and the downstream vertices
+ // of the current phase
+ const VolumeVariables &up = this->curVolVars_(fluxVars.upstreamIdx(phaseIdx));
+ const VolumeVariables &dn = this->curVolVars_(fluxVars.downstreamIdx(phaseIdx));
+
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx)
+ {
+ // add advective flux of current component in current
+ // phase
+ // if alpha > 0 and alpha < 1 then both upstream and downstream
+ // nodes need their contribution
+ // if alpha == 1 (which is mostly the case) then, the downstream
+ // node is not evaluated
+ int eqIdx = conti0EqIdx + compIdx;
+ flux[eqIdx] += fluxVars.volumeFlux(phaseIdx)
+ * (massUpwindWeight
+ * up.molarDensity(phaseIdx)
+ * up.moleFraction(phaseIdx, compIdx)
+ +
+ (1.0 - massUpwindWeight)
+ * dn.molarDensity(phaseIdx)
+ * dn.moleFraction(phaseIdx, compIdx));
+ }
+ }
+ }
+
+ /*!
+ * \brief Adds the diffusive mass flux of all components over
+ * a face of a subcontrol volume.
+ *
+ * \param flux The diffusive flux over the sub-control-volume face for each component
+ * \param fluxVars The flux variables at the current SCV
+ */
+
+ void computeDiffusiveFlux(PrimaryVariables &flux, const FluxVariables &fluxVars) const
+ {
+ // TODO: reference!? Dune::FieldMatrix<Scalar, numPhases, numComponents> averagedPorousDiffCoeffMatrix = fluxVars.porousDiffCoeff();
+ // add diffusive flux of gas component in liquid phase
+ Scalar tmp = - fluxVars.porousDiffCoeff()[wPhaseIdx][gCompIdx] * fluxVars.molarDensity(wPhaseIdx);
+ tmp *= (fluxVars.moleFractionCompGGrad(wPhaseIdx) * fluxVars.face().normal);
+ Scalar jGW = tmp;
+
+ tmp = - fluxVars.porousDiffCoeff()[wPhaseIdx][nCompIdx] * fluxVars.molarDensity(wPhaseIdx);
+ tmp *= (fluxVars.moleFractionCompNGrad(wPhaseIdx) * fluxVars.face().normal);
+ Scalar jNW = tmp;
+
+ Scalar jWW = -(jGW+jNW);
+
+ tmp = - fluxVars.porousDiffCoeff()[gPhaseIdx][wCompIdx] * fluxVars.molarDensity(gPhaseIdx);
+ tmp *= (fluxVars.moleFractionCompWGrad(gPhaseIdx) * fluxVars.face().normal);
+ Scalar jWG = tmp;
+
+ tmp = - fluxVars.porousDiffCoeff()[gPhaseIdx][nCompIdx] * fluxVars.molarDensity(gPhaseIdx);
+ tmp *= (fluxVars.moleFractionCompNGrad(gPhaseIdx) * fluxVars.face().normal);
+ Scalar jNG = tmp;
+
+ Scalar jGG = -(jWG+jNG);
+
+ tmp = - fluxVars.porousDiffCoeff()[nPhaseIdx][wCompIdx] * fluxVars.molarDensity(nPhaseIdx);
+ tmp *= (fluxVars.moleFractionCompWGrad(nPhaseIdx) * fluxVars.face().normal);
+ Scalar jWN = tmp;
+
+ tmp = - fluxVars.porousDiffCoeff()[nPhaseIdx][gCompIdx] * fluxVars.molarDensity(nPhaseIdx);
+ tmp *= (fluxVars.moleFractionCompGGrad(nPhaseIdx) * fluxVars.face().normal);
+ Scalar jGN = tmp;
+
+ Scalar jNN = -(jGN+jWN);
+
+ flux[conti0EqIdx] += jWW+jWG+jWN;
+ flux[conti1EqIdx] += jNW+jNG+jNN;
+ flux[conti2EqIdx] += jGW+jGG+jGN;
+ }
+
+protected:
+ Implementation *asImp_()
+ {
+ return static_cast<Implementation *> (this);
+ }
+
+ const Implementation *asImp_() const
+ {
+ return static_cast<const Implementation *> (this);
+ }
+};
+
+} // end namespace
+
+#endif
diff --git a/dumux/porousmediumflow/3p3c/implicit/model.hh b/dumux/porousmediumflow/3p3c/implicit/model.hh
new file mode 100644
index 0000000000..6801ed9d4d
--- /dev/null
+++ b/dumux/porousmediumflow/3p3c/implicit/model.hh
@@ -0,0 +1,1020 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ *
+ * \brief Adaption of the fully implicit scheme to the three-phase three-component
+ * flow model.
+ *
+ * The model is designed for simulating three fluid phases with water, gas, and
+ * a liquid contaminant (NAPL - non-aqueous phase liquid)
+ */
+#ifndef DUMUX_3P3C_MODEL_HH
+#define DUMUX_3P3C_MODEL_HH
+
+#include <dumux/porousmediumflow/implicit/velocityoutput.hh>
+#include "properties.hh"
+
+namespace Dumux
+{
+/*!
+ * \ingroup ThreePThreeCModel
+ * \brief Adaption of the fully implicit scheme to the three-phase three-component
+ * flow model.
+ *
+ * This model implements three-phase three-component flow of three fluid phases
+ * \f$\alpha \in \{ water, gas, NAPL \}\f$ each composed of up to three components
+ * \f$\kappa \in \{ water, air, contaminant \}\f$. The standard multiphase Darcy
+ * approach is used as the equation for the conservation of momentum:
+ * \f[
+ v_\alpha = - \frac{k_{r\alpha}}{\mu_\alpha} \mathbf{K}
+ \left(\textbf{grad}\, p_\alpha - \varrho_{\alpha} \mbox{\bf g} \right)
+ * \f]
+ *
+ * By inserting this into the equations for the conservation of the
+ * components, one transport equation for each component is obtained as
+ * \f{eqnarray*}
+ && \phi \frac{\partial (\sum_\alpha \varrho_{\alpha,mol} x_\alpha^\kappa
+ S_\alpha )}{\partial t}
+ - \sum\limits_\alpha \text{div} \left\{ \frac{k_{r\alpha}}{\mu_\alpha}
+ \varrho_{\alpha,mol} x_\alpha^\kappa \mathbf{K}
+ (\textbf{grad}\, p_\alpha - \varrho_{\alpha,mass} \mbox{\bf g}) \right\}
+ \nonumber \\
+ \nonumber \\
+ && - \sum\limits_\alpha \text{div} \left\{ D_\text{pm}^\kappa \varrho_{\alpha,mol}
+ \textbf{grad} x^\kappa_{\alpha} \right\}
+ - q^\kappa = 0 \qquad \forall \kappa , \; \forall \alpha
+ \f}
+ *
+ * Note that these balance equations are molar.
+ *
+ * All equations are discretized using a vertex-centered finite volume (box)
+ * or cell-centered finite volume scheme as spatial
+ * and the implicit Euler method as time discretization.
+ *
+ * The model uses commonly applied auxiliary conditions like
+ * \f$S_w + S_n + S_g = 1\f$ for the saturations and
+ * \f$x^w_\alpha + x^a_\alpha + x^c_\alpha = 1\f$ for the mole fractions.
+ * Furthermore, the phase pressures are related to each other via
+ * capillary pressures between the fluid phases, which are functions of
+ * the saturation, e.g. according to the approach of Parker et al.
+ *
+ * The used primary variables are dependent on the locally present fluid phases.
+ * An adaptive primary variable switch is included. The phase state is stored for all nodes
+ * of the system. The following cases can be distinguished:
+ * <ul>
+ * <li> All three phases are present: Primary variables are two saturations \f$(S_w\f$ and \f$S_n)\f$,
+ * and a pressure, in this case \f$p_g\f$. </li>
+ * <li> Only the water phase is present: Primary variables are now the mole fractions of air and
+ * contaminant in the water phase \f$(x_w^a\f$ and \f$x_w^c)\f$, as well as the gas pressure, which is,
+ * of course, in a case where only the water phase is present, just the same as the water pressure. </li>
+ * <li> Gas and NAPL phases are present: Primary variables \f$(S_n\f$, \f$x_g^w\f$, \f$p_g)\f$. </li>
+ * <li> Water and NAPL phases are present: Primary variables \f$(S_n\f$, \f$x_w^a\f$, \f$p_g)\f$. </li>
+ * <li> Only gas phase is present: Primary variables \f$(x_g^w\f$, \f$x_g^c\f$, \f$p_g)\f$. </li>
+ * <li> Water and gas phases are present: Primary variables \f$(S_w\f$, \f$x_w^g\f$, \f$p_g)\f$. </li>
+ * </ul>
+ */
+template<class TypeTag>
+class ThreePThreeCModel: public GET_PROP_TYPE(TypeTag, BaseModel)
+{
+ typedef typename GET_PROP_TYPE(TypeTag, BaseModel) ParentType;
+
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+ typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
+
+ typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
+ typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, SolutionVector) SolutionVector;
+ typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
+
+ enum {
+ dim = GridView::dimension,
+ dimWorld = GridView::dimensionworld,
+
+ numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
+ numComponents = GET_PROP_VALUE(TypeTag, NumComponents),
+
+ switch1Idx = Indices::switch1Idx,
+ switch2Idx = Indices::switch2Idx,
+
+
+ wPhaseIdx = Indices::wPhaseIdx,
+ nPhaseIdx = Indices::nPhaseIdx,
+ gPhaseIdx = Indices::gPhaseIdx,
+
+ wCompIdx = Indices::wCompIdx,
+ nCompIdx = Indices::nCompIdx,
+ gCompIdx = Indices::gCompIdx,
+
+ threePhases = Indices::threePhases,
+ wPhaseOnly = Indices::wPhaseOnly,
+ gnPhaseOnly = Indices::gnPhaseOnly,
+ wnPhaseOnly = Indices::wnPhaseOnly,
+ gPhaseOnly = Indices::gPhaseOnly,
+ wgPhaseOnly = Indices::wgPhaseOnly
+
+ };
+
+ typedef Dune::FieldVector<Scalar, dimWorld> GlobalPosition;
+ enum { isBox = GET_PROP_VALUE(TypeTag, ImplicitIsBox) };
+ enum { dofCodim = isBox ? dim : 0 };
+
+public:
+ /*!
+ * \brief Initialize the static data with the initial solution.
+ *
+ * \param problem The problem to be solved
+ */
+ void init(Problem &problem)
+ {
+ ParentType::init(problem);
+
+ staticDat_.resize(this->numDofs());
+
+ setSwitched_(false);
+
+ if (isBox)
+ {
+ for (const auto& vertex : Dune::vertices(this->gridView_()))
+ {
+ int vIdxGlobal = this->dofMapper().index(vertex);
+
+ const GlobalPosition &globalPos = vertex.geometry().corner(0);
+
+ // initialize phase presence
+ staticDat_[vIdxGlobal].phasePresence
+ = this->problem_().initialPhasePresence(vertex, vIdxGlobal,
+ globalPos);
+ staticDat_[vIdxGlobal].wasSwitched = false;
+
+ staticDat_[vIdxGlobal].oldPhasePresence
+ = staticDat_[vIdxGlobal].phasePresence;
+ }
+ }
+ else
+ {
+ for (const auto& element : Dune::elements(this->gridView_()))
+ {
+ int eIdxGlobal = this->dofMapper().index(element);
+ const GlobalPosition &globalPos = element.geometry().center();
+
+ // initialize phase presence
+ staticDat_[eIdxGlobal].phasePresence
+ = this->problem_().initialPhasePresence(*this->gridView_().template begin<dim> (),
+ eIdxGlobal, globalPos);
+ staticDat_[eIdxGlobal].wasSwitched = false;
+
+ staticDat_[eIdxGlobal].oldPhasePresence
+ = staticDat_[eIdxGlobal].phasePresence;
+ }
+ }
+ }
+
+ /*!
+ * \brief Compute the total storage inside one phase of all
+ * conservation quantities.
+ *
+ * \param storage Contains the storage of each component for one phase
+ * \param phaseIdx The phase index
+ */
+ void globalPhaseStorage(PrimaryVariables &storage, const int phaseIdx)
+ {
+ storage = 0;
+
+ for (const auto& element : Dune::elements(this->gridView_())) {
+ if(element.partitionType() == Dune::InteriorEntity)
+ {
+ this->localResidual().evalPhaseStorage(element, phaseIdx);
+
+ for (unsigned int i = 0; i < this->localResidual().storageTerm().size(); ++i)
+ storage += this->localResidual().storageTerm()[i];
+ }
+ }
+ if (this->gridView_().comm().size() > 1)
+ storage = this->gridView_().comm().sum(storage);
+ }
+
+
+ /*!
+ * \brief Called by the update() method if applying the newton
+ * method was unsuccessful.
+ */
+ void updateFailed()
+ {
+ ParentType::updateFailed();
+
+ setSwitched_(false);
+ resetPhasePresence_();
+ };
+
+ /*!
+ * \brief Called by the problem if a time integration was
+ * successful, post processing of the solution is done and the
+ * result has been written to disk.
+ *
+ * This should prepare the model for the next time integration.
+ */
+ void advanceTimeLevel()
+ {
+ ParentType::advanceTimeLevel();
+
+ // update the phase state
+ updateOldPhasePresence_();
+ setSwitched_(false);
+ }
+
+ /*!
+ * \brief Return true if the primary variables were switched for
+ * at least one vertex after the last timestep.
+ */
+ bool switched() const
+ {
+ return switchFlag_;
+ }
+
+ /*!
+ * \brief Returns the phase presence of the current or the old solution of a degree of freedom.
+ *
+ * \param dofIdxGlobal The global index of the degree of freedom
+ * \param oldSol Evaluate function with solution of current or previous time step
+ */
+ int phasePresence(int dofIdxGlobal, bool oldSol) const
+ {
+ return
+ oldSol
+ ? staticDat_[dofIdxGlobal].oldPhasePresence
+ : staticDat_[dofIdxGlobal].phasePresence;
+ }
+
+ /*!
+ * \brief Append all quantities of interest which can be derived
+ * from the solution of the current time step to the VTK
+ * writer.
+ *
+ * \param sol The solution vector
+ * \param writer The writer for multi-file VTK datasets
+ */
+ template<class MultiWriter>
+ void addOutputVtkFields(const SolutionVector &sol,
+ MultiWriter &writer)
+ {
+ typedef Dune::BlockVector<Dune::FieldVector<double, 1> > ScalarField;
+ typedef Dune::BlockVector<Dune::FieldVector<double, dimWorld> > VectorField;
+
+ // get the number of degrees of freedom
+ unsigned numDofs = this->numDofs();
+
+ // create the required scalar fields
+ ScalarField *saturation[numPhases];
+ ScalarField *pressure[numPhases];
+ ScalarField *density[numPhases];
+
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++ phaseIdx) {
+ saturation[phaseIdx] = writer.allocateManagedBuffer(numDofs);
+ pressure[phaseIdx] = writer.allocateManagedBuffer(numDofs);
+ density[phaseIdx] = writer.allocateManagedBuffer(numDofs);
+ }
+
+ ScalarField *phasePresence = writer.allocateManagedBuffer (numDofs);
+ ScalarField *moleFraction[numPhases][numComponents];
+ for (int i = 0; i < numPhases; ++i)
+ for (int j = 0; j < numComponents; ++j)
+ moleFraction[i][j] = writer.allocateManagedBuffer (numDofs);
+ ScalarField *temperature = writer.allocateManagedBuffer (numDofs);
+ ScalarField *poro = writer.allocateManagedBuffer(numDofs);
+ VectorField *velocityN = writer.template allocateManagedBuffer<double, dimWorld>(numDofs);
+ VectorField *velocityW = writer.template allocateManagedBuffer<double, dimWorld>(numDofs);
+ VectorField *velocityG = writer.template allocateManagedBuffer<double, dimWorld>(numDofs);
+ ImplicitVelocityOutput<TypeTag> velocityOutput(this->problem_());
+
+ if (velocityOutput.enableOutput()) // check if velocity output is demanded
+ {
+ // initialize velocity fields
+ for (unsigned int i = 0; i < numDofs; ++i)
+ {
+ (*velocityN)[i] = Scalar(0);
+ (*velocityW)[i] = Scalar(0);
+ (*velocityG)[i] = Scalar(0);
+ }
+ }
+
+ unsigned numElements = this->gridView_().size(0);
+ ScalarField *rank = writer.allocateManagedBuffer (numElements);
+
+ for (const auto& element : Dune::elements(this->gridView_()))
+ {
+ if(element.partitionType() == Dune::InteriorEntity)
+ {
+ int eIdx = this->problem_().elementMapper().index(element);
+ (*rank)[eIdx] = this->gridView_().comm().rank();
+
+ FVElementGeometry fvGeometry;
+ fvGeometry.update(this->gridView_(), element);
+
+
+ ElementVolumeVariables elemVolVars;
+ elemVolVars.update(this->problem_(),
+ element,
+ fvGeometry,
+ false /* oldSol? */);
+
+ for (int scvIdx = 0; scvIdx < fvGeometry.numScv; ++scvIdx)
+ {
+ int dofIdxGlobal = this->dofMapper().subIndex(element, scvIdx, dofCodim);
+
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++ phaseIdx) {
+ (*saturation[phaseIdx])[dofIdxGlobal] = elemVolVars[scvIdx].saturation(phaseIdx);
+ (*pressure[phaseIdx])[dofIdxGlobal] = elemVolVars[scvIdx].pressure(phaseIdx);
+ (*density[phaseIdx])[dofIdxGlobal] = elemVolVars[scvIdx].density(phaseIdx);
+ }
+
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx) {
+ (*moleFraction[phaseIdx][compIdx])[dofIdxGlobal] =
+ elemVolVars[scvIdx].moleFraction(phaseIdx,
+ compIdx);
+
+ Valgrind::CheckDefined((*moleFraction[phaseIdx][compIdx])[dofIdxGlobal]);
+ }
+ }
+
+ (*poro)[dofIdxGlobal] = elemVolVars[scvIdx].porosity();
+ (*temperature)[dofIdxGlobal] = elemVolVars[scvIdx].temperature();
+ (*phasePresence)[dofIdxGlobal] = staticDat_[dofIdxGlobal].phasePresence;
+ }
+
+ // velocity output
+ velocityOutput.calculateVelocity(*velocityW, elemVolVars, fvGeometry, element, wPhaseIdx);
+ velocityOutput.calculateVelocity(*velocityN, elemVolVars, fvGeometry, element, nPhaseIdx);
+ velocityOutput.calculateVelocity(*velocityN, elemVolVars, fvGeometry, element, gPhaseIdx);
+ }
+ }
+
+ writer.attachDofData(*saturation[wPhaseIdx], "Sw", isBox);
+ writer.attachDofData(*saturation[nPhaseIdx], "Sn", isBox);
+ writer.attachDofData(*saturation[gPhaseIdx], "Sg", isBox);
+ writer.attachDofData(*pressure[wPhaseIdx], "pw", isBox);
+ writer.attachDofData(*pressure[nPhaseIdx], "pn", isBox);
+ writer.attachDofData(*pressure[gPhaseIdx], "pg", isBox);
+ writer.attachDofData(*density[wPhaseIdx], "rhow", isBox);
+ writer.attachDofData(*density[nPhaseIdx], "rhon", isBox);
+ writer.attachDofData(*density[gPhaseIdx], "rhog", isBox);
+
+ for (int i = 0; i < numPhases; ++i)
+ {
+ for (int j = 0; j < numComponents; ++j)
+ {
+ std::ostringstream oss;
+ oss << "x^"
+ << FluidSystem::componentName(j)
+ << "_"
+ << FluidSystem::phaseName(i);
+ writer.attachDofData(*moleFraction[i][j], oss.str().c_str(), isBox);
+ }
+ }
+ writer.attachDofData(*poro, "porosity", isBox);
+ writer.attachDofData(*temperature, "temperature", isBox);
+ writer.attachDofData(*phasePresence, "phase presence", isBox);
+
+ if (velocityOutput.enableOutput()) // check if velocity output is demanded
+ {
+ writer.attachDofData(*velocityW, "velocityW", isBox, dim);
+ writer.attachDofData(*velocityN, "velocityN", isBox, dim);
+ writer.attachDofData(*velocityG, "velocityG", isBox, dim);
+ }
+
+ writer.attachCellData(*rank, "process rank");
+ }
+
+ /*!
+ * \brief Write the current solution to a restart file.
+ *
+ * \param outStream The output stream of one entity for the restart file
+ * \param entity The entity, either a vertex or an element
+ */
+ template<class Entity>
+ void serializeEntity(std::ostream &outStream, const Entity &entity)
+ {
+ // write primary variables
+ ParentType::serializeEntity(outStream, entity);
+
+ int dofIdxGlobal = this->dofMapper().index(entity);
+
+ if (!outStream.good())
+ DUNE_THROW(Dune::IOError, "Could not serialize entity " << dofIdxGlobal);
+
+ outStream << staticDat_[dofIdxGlobal].phasePresence << " ";
+ }
+
+ /*!
+ * \brief Reads the current solution from a restart file.
+ *
+ * \param inStream The input stream of one entity from the restart file
+ * \param entity The entity, either a vertex or an element
+ */
+ template<class Entity>
+ void deserializeEntity(std::istream &inStream, const Entity &entity)
+ {
+ // read primary variables
+ ParentType::deserializeEntity(inStream, entity);
+
+ // read phase presence
+ int dofIdxGlobal = this->dofMapper().index(entity);
+
+ if (!inStream.good())
+ DUNE_THROW(Dune::IOError,
+ "Could not deserialize entity " << dofIdxGlobal);
+
+ inStream >> staticDat_[dofIdxGlobal].phasePresence;
+ staticDat_[dofIdxGlobal].oldPhasePresence
+ = staticDat_[dofIdxGlobal].phasePresence;
+
+ }
+
+ /*!
+ * \brief Update the static data of all vertices in the grid.
+ *
+ * \param curGlobalSol The current global solution
+ * \param oldGlobalSol The previous global solution
+ */
+ void updateStaticData(SolutionVector &curGlobalSol,
+ const SolutionVector &oldGlobalSol)
+ {
+ bool wasSwitched = false;
+ int succeeded;
+ try {
+
+ for (unsigned i = 0; i < staticDat_.size(); ++i)
+ staticDat_[i].visited = false;
+
+ FVElementGeometry fvGeometry;
+ static VolumeVariables volVars;
+ for (const auto& element : Dune::elements(this->gridView_()))
+ {
+ fvGeometry.update(this->gridView_(), element);
+ for (int scvIdx = 0; scvIdx < fvGeometry.numScv; ++scvIdx)
+ {
+ int dofIdxGlobal = this->dofMapper().subIndex(element, scvIdx, dofCodim);
+
+ if (staticDat_[dofIdxGlobal].visited)
+ continue;
+
+ staticDat_[dofIdxGlobal].visited = true;
+ volVars.update(curGlobalSol[dofIdxGlobal],
+ this->problem_(),
+ element,
+ fvGeometry,
+ scvIdx,
+ false);
+ const GlobalPosition &globalPos = fvGeometry.subContVol[scvIdx].global;
+ if (primaryVarSwitch_(curGlobalSol,
+ volVars,
+ dofIdxGlobal,
+ globalPos))
+ {
+ this->jacobianAssembler().markDofRed(dofIdxGlobal);
+ wasSwitched = true;
+ }
+ }
+ }
+ succeeded = 1;
+ }
+ catch (Dumux::NumericalProblem &e)
+ {
+ std::cout << "\n"
+ << "Rank " << this->problem_().gridView().comm().rank()
+ << " caught an exception while updating the static data." << e.what()
+ << "\n";
+ succeeded = 0;
+ }
+ //make sure that all processes succeeded. If not throw a NumericalProblem to decrease the time step size.
+ if (this->gridView_().comm().size() > 1)
+ succeeded = this->gridView_().comm().min(succeeded);
+
+ if (!succeeded) {
+ DUNE_THROW(NumericalProblem,
+ "A process did not succeed in updating the static data.");
+ return;
+ }
+
+ // make sure that if there was a variable switch in an
+ // other partition we will also set the switch flag
+ // for our partition.
+ if (this->gridView_().comm().size() > 1)
+ wasSwitched = this->gridView_().comm().max(wasSwitched);
+
+ setSwitched_(wasSwitched);
+ }
+
+protected:
+ /*!
+ * \brief Data which is attached to each vertex and is not only
+ * stored locally.
+ */
+ struct StaticVars
+ {
+ int phasePresence;
+ bool wasSwitched;
+
+ int oldPhasePresence;
+ bool visited;
+ };
+
+ /*!
+ * \brief Reset the current phase presence of all vertices to the old one.
+ *
+ * This is done after an update failed.
+ */
+ void resetPhasePresence_()
+ {
+ for (unsigned int i = 0; i < this->numDofs(); ++i)
+ {
+ staticDat_[i].phasePresence
+ = staticDat_[i].oldPhasePresence;
+ staticDat_[i].wasSwitched = false;
+ }
+ }
+
+ /*!
+ * \brief Set the old phase of all verts state to the current one.
+ */
+ void updateOldPhasePresence_()
+ {
+ for (unsigned int i = 0; i < this->numDofs(); ++i)
+ {
+ staticDat_[i].oldPhasePresence
+ = staticDat_[i].phasePresence;
+ staticDat_[i].wasSwitched = false;
+ }
+ }
+
+ /*!
+ * \brief Set whether there was a primary variable switch after in
+ * the last timestep.
+ */
+ void setSwitched_(bool yesno)
+ {
+ switchFlag_ = yesno;
+ }
+
+ // perform variable switch at a vertex; Returns true if a
+ // variable switch was performed.
+ bool primaryVarSwitch_(SolutionVector &globalSol,
+ const VolumeVariables &volVars,
+ int dofIdxGlobal,
+ const GlobalPosition &globalPos)
+ {
+ // evaluate primary variable switch
+ bool wouldSwitch = false;
+ int phasePresence = staticDat_[dofIdxGlobal].phasePresence;
+ int newPhasePresence = phasePresence;
+
+ // check if a primary var switch is necessary
+ if (phasePresence == threePhases)
+ {
+ Scalar Smin = 0;
+ if (staticDat_[dofIdxGlobal].wasSwitched)
+ Smin = -0.01;
+
+ if (volVars.saturation(gPhaseIdx) <= Smin)
+ {
+ wouldSwitch = true;
+ // gas phase disappears
+ std::cout << "Gas phase disappears at vertex " << dofIdxGlobal
+ << ", coordinates: " << globalPos << ", sg: "
+ << volVars.saturation(gPhaseIdx) << std::endl;
+ newPhasePresence = wnPhaseOnly;
+
+ globalSol[dofIdxGlobal][switch1Idx]
+ = volVars.moleFraction(wPhaseIdx, gCompIdx);
+ }
+ else if (volVars.saturation(wPhaseIdx) <= Smin)
+ {
+ wouldSwitch = true;
+ // water phase disappears
+ std::cout << "Water phase disappears at vertex " << dofIdxGlobal
+ << ", coordinates: " << globalPos << ", sw: "
+ << volVars.saturation(wPhaseIdx) << std::endl;
+ newPhasePresence = gnPhaseOnly;
+
+ globalSol[dofIdxGlobal][switch1Idx]
+ = volVars.moleFraction(gPhaseIdx, wCompIdx);
+ }
+ else if (volVars.saturation(nPhaseIdx) <= Smin)
+ {
+ wouldSwitch = true;
+ // NAPL phase disappears
+ std::cout << "NAPL phase disappears at vertex " << dofIdxGlobal
+ << ", coordinates: " << globalPos << ", sn: "
+ << volVars.saturation(nPhaseIdx) << std::endl;
+ newPhasePresence = wgPhaseOnly;
+
+ globalSol[dofIdxGlobal][switch2Idx]
+ = volVars.moleFraction(gPhaseIdx, nCompIdx);
+ }
+ }
+ else if (phasePresence == wPhaseOnly)
+ {
+ bool gasFlag = 0;
+ bool nonwettingFlag = 0;
+ // calculate fractions of the partial pressures in the
+ // hypothetical gas phase
+ Scalar xwg = volVars.moleFraction(gPhaseIdx, wCompIdx);
+ Scalar xgg = volVars.moleFraction(gPhaseIdx, gCompIdx);
+ Scalar xng = volVars.moleFraction(gPhaseIdx, nCompIdx);
+ /* take care:
+ for xgg in case wPhaseOnly we compute xgg=henry_air*x2w
+ for xwg in case wPhaseOnly we compute xwg=pwsat
+ for xng in case wPhaseOnly we compute xng=henry_NAPL*x1w
+ */
+
+ Scalar xgMax = 1.0;
+ if (xwg + xgg + xng > xgMax)
+ wouldSwitch = true;
+ if (staticDat_[dofIdxGlobal].wasSwitched)
+ xgMax *= 1.02;
+
+ // if the sum of the mole fractions would be larger than
+ // 100%, gas phase appears
+ if (xwg + xgg + xng > xgMax)
+ {
+ // gas phase appears
+ std::cout << "gas phase appears at vertex " << dofIdxGlobal
+ << ", coordinates: " << globalPos << ", xwg + xgg + xng: "
+ << xwg + xgg + xng << std::endl;
+ gasFlag = 1;
+ }
+
+ // calculate fractions in the hypothetical NAPL phase
+ Scalar xnn = volVars.moleFraction(nPhaseIdx, nCompIdx);
+ /* take care:
+ for xnn in case wPhaseOnly we compute xnn=henry_mesitylene*x1w,
+ where a hypothetical gas pressure is assumed for the Henry
+ x0n is set to NULL (all NAPL phase is dirty)
+ x2n is set to NULL (all NAPL phase is dirty)
+ */
+
+ Scalar xnMax = 1.0;
+ if (xnn > xnMax)
+ wouldSwitch = true;
+ if (staticDat_[dofIdxGlobal].wasSwitched)
+ xnMax *= 1.02;
+
+ // if the sum of the hypothetical mole fractions would be larger than
+ // 100%, NAPL phase appears
+ if (xnn > xnMax)
+ {
+ // NAPL phase appears
+ std::cout << "NAPL phase appears at vertex " << dofIdxGlobal
+ << ", coordinates: " << globalPos << ", xnn: "
+ << xnn << std::endl;
+ nonwettingFlag = 1;
+ }
+
+ if ((gasFlag == 1) && (nonwettingFlag == 0))
+ {
+ newPhasePresence = wgPhaseOnly;
+ globalSol[dofIdxGlobal][switch1Idx] = 0.9999;
+ globalSol[dofIdxGlobal][switch2Idx] = 0.0001;
+ }
+ else if ((gasFlag == 1) && (nonwettingFlag == 1))
+ {
+ newPhasePresence = threePhases;
+ globalSol[dofIdxGlobal][switch1Idx] = 0.9999;
+ globalSol[dofIdxGlobal][switch2Idx] = 0.0001;
+ }
+ else if ((gasFlag == 0) && (nonwettingFlag == 1))
+ {
+ newPhasePresence = wnPhaseOnly;
+ globalSol[dofIdxGlobal][switch1Idx]
+ = volVars.moleFraction(wPhaseIdx, gCompIdx);
+ globalSol[dofIdxGlobal][switch2Idx] = 0.0001;
+ }
+ }
+ else if (phasePresence == gnPhaseOnly)
+ {
+ bool nonwettingFlag = 0;
+ bool wettingFlag = 0;
+
+ Scalar Smin = 0.0;
+ if (staticDat_[dofIdxGlobal].wasSwitched)
+ Smin = -0.01;
+
+ if (volVars.saturation(nPhaseIdx) <= Smin)
+ {
+ wouldSwitch = true;
+ // NAPL phase disappears
+ std::cout << "NAPL phase disappears at vertex " << dofIdxGlobal
+ << ", coordinates: " << globalPos << ", sn: "
+ << volVars.saturation(nPhaseIdx) << std::endl;
+ nonwettingFlag = 1;
+ }
+
+
+ // calculate fractions of the hypothetical water phase
+ Scalar xww = volVars.moleFraction(wPhaseIdx, wCompIdx);
+ /*
+ take care:, xww, if no water is present, then take xww=xwg*pg/pwsat .
+ If this is larger than 1, then water appears
+ */
+ Scalar xwMax = 1.0;
+ if (xww > xwMax)
+ wouldSwitch = true;
+ if (staticDat_[dofIdxGlobal].wasSwitched)
+ xwMax *= 1.02;
+
+ // if the sum of the mole fractions would be larger than
+ // 100%, gas phase appears
+ if (xww > xwMax)
+ {
+ // water phase appears
+ std::cout << "water phase appears at vertex " << dofIdxGlobal
+ << ", coordinates: " << globalPos << ", xww=xwg*pg/pwsat : "
+ << xww << std::endl;
+ wettingFlag = 1;
+ }
+
+ if ((wettingFlag == 1) && (nonwettingFlag == 0))
+ {
+ newPhasePresence = threePhases;
+ globalSol[dofIdxGlobal][switch1Idx] = 0.0001;
+ globalSol[dofIdxGlobal][switch2Idx] = volVars.saturation(nPhaseIdx);
+ }
+ else if ((wettingFlag == 1) && (nonwettingFlag == 1))
+ {
+ newPhasePresence = wgPhaseOnly;
+ globalSol[dofIdxGlobal][switch1Idx] = 0.0001;
+ globalSol[dofIdxGlobal][switch2Idx]
+ = volVars.moleFraction(gPhaseIdx, nCompIdx);
+ }
+ else if ((wettingFlag == 0) && (nonwettingFlag == 1))
+ {
+ newPhasePresence = gPhaseOnly;
+ globalSol[dofIdxGlobal][switch1Idx]
+ = volVars.moleFraction(gPhaseIdx, wCompIdx);
+ globalSol[dofIdxGlobal][switch2Idx]
+ = volVars.moleFraction(gPhaseIdx, nCompIdx);
+ }
+ }
+ else if (phasePresence == wnPhaseOnly)
+ {
+ bool nonwettingFlag = 0;
+ bool gasFlag = 0;
+
+ Scalar Smin = 0.0;
+ if (staticDat_[dofIdxGlobal].wasSwitched)
+ Smin = -0.01;
+
+ if (volVars.saturation(nPhaseIdx) <= Smin)
+ {
+ wouldSwitch = true;
+ // NAPL phase disappears
+ std::cout << "NAPL phase disappears at vertex " << dofIdxGlobal
+ << ", coordinates: " << globalPos << ", sn: "
+ << volVars.saturation(nPhaseIdx) << std::endl;
+ nonwettingFlag = 1;
+ }
+
+ // calculate fractions of the partial pressures in the
+ // hypothetical gas phase
+ Scalar xwg = volVars.moleFraction(gPhaseIdx, wCompIdx);
+ Scalar xgg = volVars.moleFraction(gPhaseIdx, gCompIdx);
+ Scalar xng = volVars.moleFraction(gPhaseIdx, nCompIdx);
+ /* take care:
+ for xgg in case wPhaseOnly we compute xgg=henry_air*x2w
+ for xwg in case wPhaseOnly we compute xwg=pwsat
+ for xng in case wPhaseOnly we compute xng=henry_NAPL*x1w
+ */
+ Scalar xgMax = 1.0;
+ if (xwg + xgg + xng > xgMax)
+ wouldSwitch = true;
+ if (staticDat_[dofIdxGlobal].wasSwitched)
+ xgMax *= 1.02;
+
+ // if the sum of the mole fractions would be larger than
+ // 100%, gas phase appears
+ if (xwg + xgg + xng > xgMax)
+ {
+ // gas phase appears
+ std::cout << "gas phase appears at vertex " << dofIdxGlobal
+ << ", coordinates: " << globalPos << ", xwg + xgg + xng: "
+ << xwg + xgg + xng << std::endl;
+ gasFlag = 1;
+ }
+
+ if ((gasFlag == 1) && (nonwettingFlag == 0))
+ {
+ newPhasePresence = threePhases;
+ globalSol[dofIdxGlobal][switch1Idx] = volVars.saturation(wPhaseIdx);
+ globalSol[dofIdxGlobal][switch2Idx] = volVars.saturation(nPhaseIdx);
+ }
+ else if ((gasFlag == 1) && (nonwettingFlag == 1))
+ {
+ newPhasePresence = wgPhaseOnly;
+ globalSol[dofIdxGlobal][switch1Idx] = volVars.saturation(wPhaseIdx);
+ globalSol[dofIdxGlobal][switch2Idx]
+ = volVars.moleFraction(gPhaseIdx, nCompIdx);
+ }
+ else if ((gasFlag == 0) && (nonwettingFlag == 1))
+ {
+ newPhasePresence = wPhaseOnly;
+ globalSol[dofIdxGlobal][switch1Idx]
+ = volVars.moleFraction(wPhaseIdx, gCompIdx);
+ globalSol[dofIdxGlobal][switch2Idx]
+ = volVars.moleFraction(wPhaseIdx, nCompIdx);
+ }
+ }
+ else if (phasePresence == gPhaseOnly)
+ {
+ bool nonwettingFlag = 0;
+ bool wettingFlag = 0;
+
+ // calculate fractions in the hypothetical NAPL phase
+ Scalar xnn = volVars.moleFraction(nPhaseIdx, nCompIdx);
+ /*
+ take care:, xnn, if no NAPL phase is there, take xnn=xng*pg/pcsat
+ if this is larger than 1, then NAPL appears
+ */
+
+ Scalar xnMax = 1.0;
+ if (xnn > xnMax)
+ wouldSwitch = true;
+ if (staticDat_[dofIdxGlobal].wasSwitched)
+ xnMax *= 1.02;
+
+ // if the sum of the hypothetical mole fraction would be larger than
+ // 100%, NAPL phase appears
+ if (xnn > xnMax)
+ {
+ // NAPL phase appears
+ std::cout << "NAPL phase appears at vertex " << dofIdxGlobal
+ << ", coordinates: " << globalPos << ", xnn: "
+ << xnn << std::endl;
+ nonwettingFlag = 1;
+ }
+ // calculate fractions of the hypothetical water phase
+ Scalar xww = volVars.moleFraction(wPhaseIdx, wCompIdx);
+ /*
+ take care:, xww, if no water is present, then take xww=xwg*pg/pwsat .
+ If this is larger than 1, then water appears
+ */
+ Scalar xwMax = 1.0;
+ if (xww > xwMax)
+ wouldSwitch = true;
+ if (staticDat_[dofIdxGlobal].wasSwitched)
+ xwMax *= 1.02;
+
+ // if the sum of the mole fractions would be larger than
+ // 100%, gas phase appears
+ if (xww > xwMax)
+ {
+ // water phase appears
+ std::cout << "water phase appears at vertex " << dofIdxGlobal
+ << ", coordinates: " << globalPos << ", xww=xwg*pg/pwsat : "
+ << xww << std::endl;
+ wettingFlag = 1;
+ }
+ if ((wettingFlag == 1) && (nonwettingFlag == 0))
+ {
+ newPhasePresence = wgPhaseOnly;
+ globalSol[dofIdxGlobal][switch1Idx] = 0.0001;
+ globalSol[dofIdxGlobal][switch2Idx]
+ = volVars.moleFraction(gPhaseIdx, nCompIdx);
+ }
+ else if ((wettingFlag == 1) && (nonwettingFlag == 1))
+ {
+ newPhasePresence = threePhases;
+ globalSol[dofIdxGlobal][switch1Idx] = 0.0001;
+ globalSol[dofIdxGlobal][switch2Idx] = 0.0001;
+ }
+ else if ((wettingFlag == 0) && (nonwettingFlag == 1))
+ {
+ newPhasePresence = gnPhaseOnly;
+ globalSol[dofIdxGlobal][switch1Idx]
+ = volVars.moleFraction(gPhaseIdx, wCompIdx);
+ globalSol[dofIdxGlobal][switch2Idx] = 0.0001;
+ }
+ }
+ else if (phasePresence == wgPhaseOnly)
+ {
+ bool nonwettingFlag = 0;
+ bool gasFlag = 0;
+ bool wettingFlag = 0;
+
+ // get the fractions in the hypothetical NAPL phase
+ Scalar xnn = volVars.moleFraction(nPhaseIdx, nCompIdx);
+
+ // take care: if the NAPL phase is not present, take
+ // xnn=xng*pg/pcsat if this is larger than 1, then NAPL
+ // appears
+ Scalar xnMax = 1.0;
+ if (xnn > xnMax)
+ wouldSwitch = true;
+ if (staticDat_[dofIdxGlobal].wasSwitched)
+ xnMax *= 1.02;
+
+ // if the sum of the hypothetical mole fraction would be larger than
+ // 100%, NAPL phase appears
+ if (xnn > xnMax)
+ {
+ // NAPL phase appears
+ std::cout << "NAPL phase appears at vertex " << dofIdxGlobal
+ << ", coordinates: " << globalPos << ", xnn: "
+ << xnn << std::endl;
+ nonwettingFlag = 1;
+ }
+
+ Scalar Smin = -1.e-6;
+ if (staticDat_[dofIdxGlobal].wasSwitched)
+ Smin = -0.01;
+
+ if (volVars.saturation(gPhaseIdx) <= Smin)
+ {
+ wouldSwitch = true;
+ // gas phase disappears
+ std::cout << "Gas phase disappears at vertex " << dofIdxGlobal
+ << ", coordinates: " << globalPos << ", sg: "
+ << volVars.saturation(gPhaseIdx) << std::endl;
+ gasFlag = 1;
+ }
+
+ Smin = 0.0;
+ if (staticDat_[dofIdxGlobal].wasSwitched)
+ Smin = -0.01;
+
+ if (volVars.saturation(wPhaseIdx) <= Smin)
+ {
+ wouldSwitch = true;
+ // gas phase disappears
+ std::cout << "Water phase disappears at vertex " << dofIdxGlobal
+ << ", coordinates: " << globalPos << ", sw: "
+ << volVars.saturation(wPhaseIdx) << std::endl;
+ wettingFlag = 1;
+ }
+
+ if ((gasFlag == 0) && (nonwettingFlag == 1) && (wettingFlag == 1))
+ {
+ newPhasePresence = gnPhaseOnly;
+ globalSol[dofIdxGlobal][switch1Idx]
+ = volVars.moleFraction(gPhaseIdx, wCompIdx);
+ globalSol[dofIdxGlobal][switch2Idx] = 0.0001;
+ }
+ else if ((gasFlag == 0) && (nonwettingFlag == 1) && (wettingFlag == 0))
+ {
+ newPhasePresence = threePhases;
+ globalSol[dofIdxGlobal][switch1Idx] = volVars.saturation(wPhaseIdx);
+ globalSol[dofIdxGlobal][switch2Idx] = 0.0;
+ }
+ else if ((gasFlag == 1) && (nonwettingFlag == 0) && (wettingFlag == 0))
+ {
+ newPhasePresence = wPhaseOnly;
+ globalSol[dofIdxGlobal][switch1Idx]
+ = volVars.moleFraction(wPhaseIdx, gCompIdx);
+ globalSol[dofIdxGlobal][switch2Idx]
+ = volVars.moleFraction(wPhaseIdx, nCompIdx);
+ }
+ else if ((gasFlag == 0) && (nonwettingFlag == 0) && (wettingFlag == 1))
+ {
+ newPhasePresence = gPhaseOnly;
+ globalSol[dofIdxGlobal][switch1Idx]
+ = volVars.moleFraction(gPhaseIdx, wCompIdx);
+ globalSol[dofIdxGlobal][switch2Idx]
+ = volVars.moleFraction(gPhaseIdx, nCompIdx);
+ }
+ }
+
+ staticDat_[dofIdxGlobal].phasePresence = newPhasePresence;
+ staticDat_[dofIdxGlobal].wasSwitched = wouldSwitch;
+ return phasePresence != newPhasePresence;
+ }
+
+ // parameters given in constructor
+ std::vector<StaticVars> staticDat_;
+ bool switchFlag_;
+};
+
+}
+
+#include "propertydefaults.hh"
+
+#endif
diff --git a/dumux/porousmediumflow/3p3c/implicit/newtoncontroller.hh b/dumux/porousmediumflow/3p3c/implicit/newtoncontroller.hh
new file mode 100644
index 0000000000..053b2cb01f
--- /dev/null
+++ b/dumux/porousmediumflow/3p3c/implicit/newtoncontroller.hh
@@ -0,0 +1,86 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ * \brief A three-phase three-component specific controller for the newton solver.
+ *
+ * This controller 'knows' what a 'physically meaningful' solution is
+ * which allows the newton method to abort quicker if the solution is
+ * way out of bounds.
+ */
+#ifndef DUMUX_3P3C_NEWTON_CONTROLLER_HH
+#define DUMUX_3P3C_NEWTON_CONTROLLER_HH
+
+#include "properties.hh"
+
+#include <dumux/nonlinear/newtoncontroller.hh>
+
+namespace Dumux {
+/*!
+ * \ingroup Newton
+ * \ingroup ThreePThreeCModel
+ * \brief A three-phase three-component specific controller for the newton solver.
+ *
+ * This controller 'knows' what a 'physically meaningful' solution is
+ * which allows the newton method to abort quicker if the solution is
+ * way out of bounds.
+ */
+template <class TypeTag>
+class ThreePThreeCNewtonController : public NewtonController<TypeTag>
+{
+ typedef NewtonController<TypeTag> ParentType;
+ typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
+ typedef typename GET_PROP_TYPE(TypeTag, SolutionVector) SolutionVector;
+
+public:
+ ThreePThreeCNewtonController(const Problem &problem)
+ : ParentType(problem)
+ {};
+
+
+ /*!
+ * \brief Called after each Newton update
+ *
+ * \param uCurrentIter The current global solution vector
+ * \param uLastIter The previous global solution vector
+ */
+ void newtonEndStep(SolutionVector &uCurrentIter,
+ const SolutionVector &uLastIter)
+ {
+ // call the method of the base class
+ this->method().model().updateStaticData(uCurrentIter, uLastIter);
+ ParentType::newtonEndStep(uCurrentIter, uLastIter);
+ }
+
+
+ /*!
+ * \brief Returns true if the current solution can be considered to
+ * be accurate enough
+ */
+ bool newtonConverged()
+ {
+ if (this->method().model().switched())
+ return false;
+
+ return ParentType::newtonConverged();
+ };
+};
+}
+
+#endif
diff --git a/dumux/porousmediumflow/3p3c/implicit/properties.hh b/dumux/porousmediumflow/3p3c/implicit/properties.hh
new file mode 100644
index 0000000000..52a2762e8c
--- /dev/null
+++ b/dumux/porousmediumflow/3p3c/implicit/properties.hh
@@ -0,0 +1,82 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \ingroup Properties
+ * \ingroup ImplicitProperties
+ * \ingroup ThreePThreeCModel
+ */
+/*!
+ * \file
+ *
+ * \brief Defines the properties required for the three-phase three-component
+ * fully implicit model.
+ */
+#ifndef DUMUX_3P3C_PROPERTIES_HH
+#define DUMUX_3P3C_PROPERTIES_HH
+
+#include <dumux/implicit/box/properties.hh>
+#include <dumux/implicit/cellcentered/properties.hh>
+#include <dumux/porousmediumflow/nonisothermal/implicit/properties.hh>
+
+
+namespace Dumux
+{
+
+namespace Properties
+{
+//////////////////////////////////////////////////////////////////
+// Type tags
+//////////////////////////////////////////////////////////////////
+
+//! The type tags for the implicit three-phase three-component problems
+NEW_TYPE_TAG(ThreePThreeC);
+NEW_TYPE_TAG(BoxThreePThreeC, INHERITS_FROM(BoxModel, ThreePThreeC));
+NEW_TYPE_TAG(CCThreePThreeC, INHERITS_FROM(CCModel, ThreePThreeC));
+
+//! The type tags for the corresponding non-isothermal problems
+NEW_TYPE_TAG(ThreePThreeCNI, INHERITS_FROM(ThreePThreeC, NonIsothermal));
+NEW_TYPE_TAG(BoxThreePThreeCNI, INHERITS_FROM(BoxModel, ThreePThreeCNI));
+NEW_TYPE_TAG(CCThreePThreeCNI, INHERITS_FROM(CCModel, ThreePThreeCNI));
+
+//////////////////////////////////////////////////////////////////
+// Property tags
+//////////////////////////////////////////////////////////////////
+
+NEW_PROP_TAG(NumPhases); //!< Number of fluid phases in the system
+NEW_PROP_TAG(NumComponents); //!< Number of fluid components in the system
+NEW_PROP_TAG(Indices); //!< Enumerations for the model
+NEW_PROP_TAG(SpatialParams); //!< The type of the spatial parameters
+NEW_PROP_TAG(FluidSystem); //!< Type of the multi-component relations
+NEW_PROP_TAG(FluidState); //!< Type of the fluid state to be used
+
+NEW_PROP_TAG(MaterialLaw); //!< The material law which ought to be used (extracted from the spatial parameters)
+NEW_PROP_TAG(MaterialLawParams); //!< The parameters of the material law (extracted from the spatial parameters)
+NEW_PROP_TAG(EffectiveDiffusivityModel); //!< The employed model for the computation of the effective diffusivity
+
+NEW_PROP_TAG(ProblemEnableGravity); //!< Returns whether gravity is considered in the problem
+NEW_PROP_TAG(ImplicitMassUpwindWeight); //!< The value of the upwind parameter for the mobility
+NEW_PROP_TAG(ImplicitMobilityUpwindWeight); //!< Weight for the upwind mobility in the velocity calculation
+NEW_PROP_TAG(UseConstraintSolver); //!< Determines whether a constraint solver should be used explicitly
+NEW_PROP_TAG(BaseFluxVariables); //! The base flux variables
+NEW_PROP_TAG(SpatialParamsForchCoeff); //!< Property for the forchheimer coefficient
+NEW_PROP_TAG(VtkAddVelocity); //!< Returns whether velocity vectors are written into the vtk output
+}
+}
+
+#endif
diff --git a/dumux/porousmediumflow/3p3c/implicit/propertydefaults.hh b/dumux/porousmediumflow/3p3c/implicit/propertydefaults.hh
new file mode 100644
index 0000000000..aff1b567da
--- /dev/null
+++ b/dumux/porousmediumflow/3p3c/implicit/propertydefaults.hh
@@ -0,0 +1,210 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \ingroup Properties
+ * \ingroup ImplicitProperties
+ * \ingroup ThreePThreeCModel
+ * \file
+ *
+ * \brief Defines default values for most properties required by the
+ * three-phase three-component fully implicit model.
+ */
+#ifndef DUMUX_3P3C_PROPERTY_DEFAULTS_HH
+#define DUMUX_3P3C_PROPERTY_DEFAULTS_HH
+
+#include "indices.hh"
+
+#include "model.hh"
+#include "fluxvariables.hh"
+#include "volumevariables.hh"
+#include "properties.hh"
+#include "newtoncontroller.hh"
+#include "localresidual.hh"
+
+#include <dumux/porousmediumflow/nonisothermal/implicit/propertydefaults.hh>
+#include <dumux/material/fluidmatrixinteractions/diffusivitymillingtonquirk.hh>
+#include <dumux/porousmediumflow/implicit/darcyfluxvariables.hh>
+#include <dumux/material/spatialparams/implicitspatialparams.hh>
+#include <dumux/material/fluidmatrixinteractions/3p/thermalconductivitysomerton3p.hh>
+
+namespace Dumux
+{
+
+namespace Properties {
+//////////////////////////////////////////////////////////////////
+// Property values
+//////////////////////////////////////////////////////////////////
+
+/*!
+ * \brief Set the property for the number of components.
+ *
+ * We just forward the number from the fluid system and use an static
+ * assert to make sure it is 3.
+ */
+SET_PROP(ThreePThreeC, NumComponents)
+{
+ private:
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+
+ public:
+ static const int value = FluidSystem::numComponents;
+
+ static_assert(value == 3,
+ "Only fluid systems with 3 components are supported by the 3p3c model!");
+};
+
+/*!
+ * \brief Set the property for the number of fluid phases.
+ *
+ * We just forward the number from the fluid system and use an static
+ * assert to make sure it is 3.
+ */
+SET_PROP(ThreePThreeC, NumPhases)
+{
+ private:
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+
+ public:
+ static const int value = FluidSystem::numPhases;
+ static_assert(value == 3,
+ "Only fluid systems with 3 phases are supported by the 3p3c model!");
+};
+
+/*!
+ * \brief The fluid state which is used by the volume variables to
+ * store the thermodynamic state. This should be chosen
+ * appropriately for the model ((non-)isothermal, equilibrium, ...).
+ * This can be done in the problem.
+ */
+SET_PROP(ThreePThreeC, FluidState){
+ private:
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+ public:
+ typedef Dumux::CompositionalFluidState<Scalar, FluidSystem> type;
+};
+
+SET_INT_PROP(ThreePThreeC, NumEq, 3); //!< set the number of equations to 2
+
+/*!
+ * \brief Set the property for the material parameters by extracting
+ * it from the material law.
+ */
+SET_TYPE_PROP(ThreePThreeC, MaterialLawParams, typename GET_PROP_TYPE(TypeTag, MaterialLaw)::Params);
+
+//! The local residual function of the conservation equations
+SET_TYPE_PROP(ThreePThreeC, LocalResidual, ThreePThreeCLocalResidual<TypeTag>);
+
+//! Use the 3p3c specific newton controller for the 3p3c model
+SET_TYPE_PROP(ThreePThreeC, NewtonController, ThreePThreeCNewtonController<TypeTag>);
+
+//! the Model property
+SET_TYPE_PROP(ThreePThreeC, Model, ThreePThreeCModel<TypeTag>);
+
+//! the VolumeVariables property
+SET_TYPE_PROP(ThreePThreeC, VolumeVariables, ThreePThreeCVolumeVariables<TypeTag>);
+
+//! the FluxVariables property
+SET_TYPE_PROP(ThreePThreeC, FluxVariables, ThreePThreeCFluxVariables<TypeTag>);
+
+//! define the base flux variables to realize Darcy flow
+SET_TYPE_PROP(ThreePThreeC, BaseFluxVariables, ImplicitDarcyFluxVariables<TypeTag>);
+
+//! the upwind factor for the mobility.
+SET_SCALAR_PROP(ThreePThreeC, ImplicitMassUpwindWeight, 1.0);
+
+//! set default mobility upwind weight to 1.0, i.e. fully upwind
+SET_SCALAR_PROP(ThreePThreeC, ImplicitMobilityUpwindWeight, 1.0);
+
+//! Determines whether a constraint solver should be used explicitly
+SET_BOOL_PROP(ThreePThreeC, UseConstraintSolver, false);
+
+//! The indices required by the isothermal 3p3c model
+SET_TYPE_PROP(ThreePThreeC, Indices, ThreePThreeCIndices<TypeTag, /*PVOffset=*/0>);
+
+//! The spatial parameters to be employed.
+//! Use ImplicitSpatialParams by default.
+SET_TYPE_PROP(ThreePThreeC, SpatialParams, ImplicitSpatialParams<TypeTag>);
+
+//! The model after Millington (1961) is used for the effective diffusivity
+SET_PROP(ThreePThreeC, EffectiveDiffusivityModel)
+{ private :
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ public:
+ typedef DiffusivityMillingtonQuirk<Scalar> type;
+};
+
+// disable velocity output by default
+SET_BOOL_PROP(ThreePThreeC, VtkAddVelocity, false);
+
+// enable gravity by default
+SET_BOOL_PROP(ThreePThreeC, ProblemEnableGravity, true);
+
+//! default value for the forchheimer coefficient
+// Source: Ward, J.C. 1964 Turbulent flow in porous media. ASCE J. Hydraul. Div 90.
+// Actually the Forchheimer coefficient is also a function of the dimensions of the
+// porous medium. Taking it as a constant is only a first approximation
+// (Nield, Bejan, Convection in porous media, 2006, p. 10)
+SET_SCALAR_PROP(BoxModel, SpatialParamsForchCoeff, 0.55);
+
+//! Somerton is used as default model to compute the effective thermal heat conductivity
+SET_PROP(ThreePThreeCNI, ThermalConductivityModel)
+{
+private:
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
+public:
+ typedef ThermalConductivitySomerton<Scalar, Indices> type;
+};
+
+//! temperature is already written by the isothermal model
+SET_BOOL_PROP(ThreePThreeCNI, NiOutputLevel, 0);
+
+//////////////////////////////////////////////////////////////////
+// Property values for isothermal model required for the general non-isothermal model
+//////////////////////////////////////////////////////////////////
+
+// set isothermal Model
+SET_TYPE_PROP(ThreePThreeCNI, IsothermalModel, ThreePThreeCModel<TypeTag>);
+
+// set isothermal FluxVariables
+SET_TYPE_PROP(ThreePThreeCNI, IsothermalFluxVariables, ThreePThreeCFluxVariables<TypeTag>);
+
+//set isothermal VolumeVariables
+SET_TYPE_PROP(ThreePThreeCNI, IsothermalVolumeVariables, ThreePThreeCVolumeVariables<TypeTag>);
+
+//set isothermal LocalResidual
+SET_TYPE_PROP(ThreePThreeCNI, IsothermalLocalResidual, ThreePThreeCLocalResidual<TypeTag>);
+
+//set isothermal Indices
+SET_PROP(ThreePThreeCNI, IsothermalIndices)
+{
+
+public:
+ typedef ThreePThreeCIndices<TypeTag, /*PVOffset=*/0> type;
+};
+
+//set isothermal NumEq
+SET_INT_PROP(ThreePThreeCNI, IsothermalNumEq, 3);
+
+}
+
+}
+
+#endif
diff --git a/dumux/porousmediumflow/3p3c/implicit/volumevariables.hh b/dumux/porousmediumflow/3p3c/implicit/volumevariables.hh
new file mode 100644
index 0000000000..4a940147a9
--- /dev/null
+++ b/dumux/porousmediumflow/3p3c/implicit/volumevariables.hh
@@ -0,0 +1,750 @@
+// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
+// vi: set et ts=4 sw=4 sts=4:
+/*****************************************************************************
+ * See the file COPYING for full copying permissions. *
+ * *
+ * This program is free software: you can redistribute it and/or modify *
+ * it under the terms of the GNU General Public License as published by *
+ * the Free Software Foundation, either version 2 of the License, or *
+ * (at your option) any later version. *
+ * *
+ * This program is distributed in the hope that it will be useful, *
+ * but WITHOUT ANY WARRANTY; without even the implied warranty of *
+ * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the *
+ * GNU General Public License for more details. *
+ * *
+ * You should have received a copy of the GNU General Public License *
+ * along with this program. If not, see <http://www.gnu.org/licenses/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ *
+ * \brief Contains the quantities which are constant within a
+ * finite volume in the three-phase three-component model.
+ */
+#ifndef DUMUX_3P3C_VOLUME_VARIABLES_HH
+#define DUMUX_3P3C_VOLUME_VARIABLES_HH
+
+#include <dumux/implicit/model.hh>
+#include <dumux/material/constants.hh>
+#include <dumux/material/fluidstates/compositionalfluidstate.hh>
+#include <dumux/material/constraintsolvers/computefromreferencephase.hh>
+#include <dumux/material/constraintsolvers/misciblemultiphasecomposition.hh>
+#include "properties.hh"
+
+namespace Dumux
+{
+
+/*!
+ * \ingroup ThreePThreeCModel
+ * \ingroup ImplicitVolumeVariables
+ * \brief Contains the quantities which are are constant within a
+ * finite volume in the three-phase three-component model.
+ */
+template <class TypeTag>
+class ThreePThreeCVolumeVariables : public ImplicitVolumeVariables<TypeTag>
+{
+ typedef ImplicitVolumeVariables<TypeTag> ParentType;
+ typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) Implementation;
+
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
+ typedef typename GET_PROP_TYPE(TypeTag, Problem) Problem;
+ typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
+ typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+ typedef typename GET_PROP_TYPE(TypeTag, MaterialLaw) MaterialLaw;
+ typedef typename GET_PROP_TYPE(TypeTag, MaterialLawParams) MaterialLawParams;
+
+ // constraint solvers
+ typedef Dumux::MiscibleMultiPhaseComposition<Scalar, FluidSystem> MiscibleMultiPhaseComposition;
+ typedef Dumux::ComputeFromReferencePhase<Scalar, FluidSystem> ComputeFromReferencePhase;
+
+ typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
+ enum {
+ dim = GridView::dimension,
+
+ numPhases = GET_PROP_VALUE(TypeTag, NumPhases),
+ numComponents = GET_PROP_VALUE(TypeTag, NumComponents),
+
+ wCompIdx = Indices::wCompIdx,
+ gCompIdx = Indices::gCompIdx,
+ nCompIdx = Indices::nCompIdx,
+
+ wPhaseIdx = Indices::wPhaseIdx,
+ gPhaseIdx = Indices::gPhaseIdx,
+ nPhaseIdx = Indices::nPhaseIdx,
+
+ switch1Idx = Indices::switch1Idx,
+ switch2Idx = Indices::switch2Idx,
+ pressureIdx = Indices::pressureIdx
+ };
+
+ // present phases
+ enum {
+ threePhases = Indices::threePhases,
+ wPhaseOnly = Indices::wPhaseOnly,
+ gnPhaseOnly = Indices::gnPhaseOnly,
+ wnPhaseOnly = Indices::wnPhaseOnly,
+ gPhaseOnly = Indices::gPhaseOnly,
+ wgPhaseOnly = Indices::wgPhaseOnly
+ };
+
+ typedef typename GridView::template Codim<0>::Entity Element;
+
+ static const Scalar R; // universial gas constant
+
+ enum { isBox = GET_PROP_VALUE(TypeTag, ImplicitIsBox) };
+ enum { dofCodim = isBox ? dim : 0 };
+
+public:
+
+ typedef typename GET_PROP_TYPE(TypeTag, FluidState) FluidState;
+
+ /*!
+ * \copydoc ImplicitVolumeVariables::update
+ */
+ void update(const PrimaryVariables &priVars,
+ const Problem &problem,
+ const Element &element,
+ const FVElementGeometry &fvGeometry,
+ const int scvIdx,
+ bool isOldSol)
+ {
+ ParentType::update(priVars,
+ problem,
+ element,
+ fvGeometry,
+ scvIdx,
+ isOldSol);
+
+ bool useConstraintSolver = GET_PROP_VALUE(TypeTag, UseConstraintSolver);
+
+ // capillary pressure parameters
+ const MaterialLawParams &materialParams =
+ problem.spatialParams().materialLawParams(element, fvGeometry, scvIdx);
+
+ int dofIdxGlobal = problem.model().dofMapper().subIndex(element, scvIdx, dofCodim);
+ int phasePresence = problem.model().phasePresence(dofIdxGlobal, isOldSol);
+
+ Scalar temp = Implementation::temperature_(priVars, problem, element, fvGeometry, scvIdx);
+ fluidState_.setTemperature(temp);
+
+ /* first the saturations */
+ if (phasePresence == threePhases)
+ {
+ sw_ = priVars[switch1Idx];
+ sn_ = priVars[switch2Idx];
+ sg_ = 1. - sw_ - sn_;
+ }
+ else if (phasePresence == wPhaseOnly)
+ {
+ sw_ = 1.;
+ sn_ = 0.;
+ sg_ = 0.;
+ }
+ else if (phasePresence == gnPhaseOnly)
+ {
+ sw_ = 0.;
+ sn_ = priVars[switch2Idx];
+ sg_ = 1. - sn_;
+ }
+ else if (phasePresence == wnPhaseOnly)
+ {
+ sn_ = priVars[switch2Idx];
+ sw_ = 1. - sn_;
+ sg_ = 0.;
+ }
+ else if (phasePresence == gPhaseOnly)
+ {
+ sw_ = 0.;
+ sn_ = 0.;
+ sg_ = 1.;
+ }
+ else if (phasePresence == wgPhaseOnly)
+ {
+ sw_ = priVars[switch1Idx];
+ sn_ = 0.;
+ sg_ = 1. - sw_;
+ }
+ else DUNE_THROW(Dune::InvalidStateException, "phasePresence: " << phasePresence << " is invalid.");
+ Valgrind::CheckDefined(sg_);
+
+ fluidState_.setSaturation(wPhaseIdx, sw_);
+ fluidState_.setSaturation(gPhaseIdx, sg_);
+ fluidState_.setSaturation(nPhaseIdx, sn_);
+
+ /* now the pressures */
+ pg_ = priVars[pressureIdx];
+
+ // calculate capillary pressures
+ Scalar pcgw = MaterialLaw::pcgw(materialParams, sw_);
+ Scalar pcnw = MaterialLaw::pcnw(materialParams, sw_);
+ Scalar pcgn = MaterialLaw::pcgn(materialParams, sw_ + sn_);
+
+ Scalar pcAlpha = MaterialLaw::pcAlpha(materialParams, sn_);
+ Scalar pcNW1 = 0.0; // TODO: this should be possible to assign in the problem file
+
+ pn_ = pg_- pcAlpha * pcgn - (1.-pcAlpha)*(pcgw - pcNW1);
+ pw_ = pn_ - pcAlpha * pcnw - (1.-pcAlpha)*pcNW1;
+
+ fluidState_.setPressure(wPhaseIdx, pw_);
+ fluidState_.setPressure(gPhaseIdx, pg_);
+ fluidState_.setPressure(nPhaseIdx, pn_);
+
+ // calculate and set all fugacity coefficients. this is
+ // possible because we require all phases to be an ideal
+ // mixture, i.e. fugacity coefficients are not supposed to
+ // depend on composition!
+ typename FluidSystem::ParameterCache paramCache;
+ // assert(FluidSystem::isIdealGas(gPhaseIdx));
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++ phaseIdx) {
+ assert(FluidSystem::isIdealMixture(phaseIdx));
+
+ for (int compIdx = 0; compIdx < numComponents; ++ compIdx) {
+ Scalar phi = FluidSystem::fugacityCoefficient(fluidState_, paramCache, phaseIdx, compIdx);
+ fluidState_.setFugacityCoefficient(phaseIdx, compIdx, phi);
+ }
+ }
+
+ // now comes the tricky part: calculate phase composition
+ if (phasePresence == threePhases) {
+ // all phases are present, phase compositions are a
+ // result of the the gas <-> liquid equilibrium. This is
+ // the job of the "MiscibleMultiPhaseComposition"
+ // constraint solver ...
+ if (useConstraintSolver) {
+ MiscibleMultiPhaseComposition::solve(fluidState_,
+ paramCache,
+ /*setViscosity=*/true,
+ /*setInternalEnergy=*/false);
+ }
+ // ... or calculated explicitly this way ...
+ else {
+ Scalar partPressH2O = FluidSystem::fugacityCoefficient(fluidState_,
+ wPhaseIdx,
+ wCompIdx) * pw_;
+ Scalar partPressNAPL = FluidSystem::fugacityCoefficient(fluidState_,
+ nPhaseIdx,
+ nCompIdx) * pn_;
+ Scalar partPressAir = pg_ - partPressH2O - partPressNAPL;
+
+ Scalar xgn = partPressNAPL/pg_;
+ Scalar xgw = partPressH2O/pg_;
+ Scalar xgg = partPressAir/pg_;
+
+ // actually, it's nothing else than Henry coefficient
+ Scalar xwn = partPressNAPL
+ / (FluidSystem::fugacityCoefficient(fluidState_,
+ wPhaseIdx,nCompIdx)
+ * pw_);
+ Scalar xwg = partPressAir
+ / (FluidSystem::fugacityCoefficient(fluidState_,
+ wPhaseIdx,gCompIdx)
+ * pw_);
+ Scalar xww = 1.-xwg-xwn;
+
+ Scalar xnn = 1.-2.e-10;
+ Scalar xna = 1.e-10;
+ Scalar xnw = 1.e-10;
+
+ fluidState_.setMoleFraction(wPhaseIdx, wCompIdx, xww);
+ fluidState_.setMoleFraction(wPhaseIdx, gCompIdx, xwg);
+ fluidState_.setMoleFraction(wPhaseIdx, nCompIdx, xwn);
+ fluidState_.setMoleFraction(gPhaseIdx, wCompIdx, xgw);
+ fluidState_.setMoleFraction(gPhaseIdx, gCompIdx, xgg);
+ fluidState_.setMoleFraction(gPhaseIdx, nCompIdx, xgn);
+ fluidState_.setMoleFraction(nPhaseIdx, wCompIdx, xnw);
+ fluidState_.setMoleFraction(nPhaseIdx, gCompIdx, xna);
+ fluidState_.setMoleFraction(nPhaseIdx, nCompIdx, xnn);
+
+ Scalar rhoW = FluidSystem::density(fluidState_, wPhaseIdx);
+ Scalar rhoG = FluidSystem::density(fluidState_, gPhaseIdx);
+ Scalar rhoN = FluidSystem::density(fluidState_, nPhaseIdx);
+
+ fluidState_.setDensity(wPhaseIdx, rhoW);
+ fluidState_.setDensity(gPhaseIdx, rhoG);
+ fluidState_.setDensity(nPhaseIdx, rhoN);
+ }
+ }
+ else if (phasePresence == wPhaseOnly) {
+ // only the water phase is present, water phase composition is
+ // stored explicitly.
+
+ // extract mole fractions in the water phase
+ Scalar xwg = priVars[switch1Idx];
+ Scalar xwn = priVars[switch2Idx];
+ Scalar xww = 1 - xwg - xwn;
+
+ // write water mole fractions in the fluid state
+ fluidState_.setMoleFraction(wPhaseIdx, wCompIdx, xww);
+ fluidState_.setMoleFraction(wPhaseIdx, gCompIdx, xwg);
+ fluidState_.setMoleFraction(wPhaseIdx, nCompIdx, xwn);
+
+ // calculate the composition of the remaining phases (as
+ // well as the densities of all phases). this is the job
+ // of the "ComputeFromReferencePhase" constraint solver ...
+ if (useConstraintSolver)
+ {
+ ComputeFromReferencePhase::solve(fluidState_,
+ paramCache,
+ wPhaseIdx,
+ /*setViscosity=*/true,
+ /*setInternalEnergy=*/false);
+ }
+ // ... or calculated explicitly this way ...
+ else {
+ // note that the gas phase is actually not existing!
+ // thus, this is used as phase switch criterion
+ Scalar xgg = xwg * FluidSystem::fugacityCoefficient(fluidState_,
+ wPhaseIdx,gCompIdx)
+ * pw_ / pg_;
+ Scalar xgn = xwn * FluidSystem::fugacityCoefficient(fluidState_,
+ wPhaseIdx,nCompIdx)
+ * pw_ / pg_;
+ Scalar xgw = FluidSystem::fugacityCoefficient(fluidState_,
+ wPhaseIdx,wCompIdx)
+ * pw_ / pg_;
+
+
+ // note that the gas phase is actually not existing!
+ // thus, this is used as phase switch criterion
+ Scalar xnn = xwn * FluidSystem::fugacityCoefficient(fluidState_,
+ wPhaseIdx,nCompIdx)
+ * pw_;
+ Scalar xna = 1.e-10;
+ Scalar xnw = 1.e-10;
+
+ fluidState_.setMoleFraction(gPhaseIdx, wCompIdx, xgw);
+ fluidState_.setMoleFraction(gPhaseIdx, gCompIdx, xgg);
+ fluidState_.setMoleFraction(gPhaseIdx, nCompIdx, xgn);
+ fluidState_.setMoleFraction(nPhaseIdx, wCompIdx, xnw);
+ fluidState_.setMoleFraction(nPhaseIdx, gCompIdx, xna);
+ fluidState_.setMoleFraction(nPhaseIdx, nCompIdx, xnn);
+
+ Scalar rhoW = FluidSystem::density(fluidState_, wPhaseIdx);
+ Scalar rhoG = FluidSystem::density(fluidState_, gPhaseIdx);
+ Scalar rhoN = FluidSystem::density(fluidState_, nPhaseIdx);
+
+ fluidState_.setDensity(wPhaseIdx, rhoW);
+ fluidState_.setDensity(gPhaseIdx, rhoG);
+ fluidState_.setDensity(nPhaseIdx, rhoN);
+ }
+ }
+ else if (phasePresence == gnPhaseOnly) {
+ // only gas and NAPL phases are present
+ // we have all (partly hypothetical) phase pressures
+ // and temperature and the mole fraction of water in
+ // the gas phase
+
+ // we have all (partly hypothetical) phase pressures
+ // and temperature and the mole fraction of water in
+ // the gas phase
+ Scalar partPressNAPL = fluidState_.fugacityCoefficient(nPhaseIdx, nCompIdx)*pn_;
+
+ Scalar xgw = priVars[switch1Idx];
+ Scalar xgn = partPressNAPL/pg_;
+ Scalar xgg = 1.-xgw-xgn;
+
+ // write mole fractions in the fluid state
+ fluidState_.setMoleFraction(gPhaseIdx, wCompIdx, xgw);
+ fluidState_.setMoleFraction(gPhaseIdx, gCompIdx, xgg);
+ fluidState_.setMoleFraction(gPhaseIdx, nCompIdx, xgn);
+
+ // calculate the composition of the remaining phases (as
+ // well as the densities of all phases). this is the job
+ // of the "ComputeFromReferencePhase" constraint solver
+ ComputeFromReferencePhase::solve(fluidState_,
+ paramCache,
+ gPhaseIdx,
+ /*setViscosity=*/true,
+ /*setInternalEnergy=*/false);
+ }
+ else if (phasePresence == wnPhaseOnly) {
+ // only water and NAPL phases are present
+ Scalar pPartialC = fluidState_.fugacityCoefficient(nPhaseIdx,nCompIdx)*pn_;
+ Scalar henryC = fluidState_.fugacityCoefficient(wPhaseIdx,nCompIdx)*pw_;
+
+ Scalar xwg = priVars[switch1Idx];
+ Scalar xwn = pPartialC/henryC;
+ Scalar xww = 1.-xwg-xwn;
+
+ // write mole fractions in the fluid state
+ fluidState_.setMoleFraction(wPhaseIdx, wCompIdx, xww);
+ fluidState_.setMoleFraction(wPhaseIdx, gCompIdx, xwg);
+ fluidState_.setMoleFraction(wPhaseIdx, nCompIdx, xwn);
+
+ // calculate the composition of the remaining phases (as
+ // well as the densities of all phases). this is the job
+ // of the "ComputeFromReferencePhase" constraint solver
+ ComputeFromReferencePhase::solve(fluidState_,
+ paramCache,
+ wPhaseIdx,
+ /*setViscosity=*/true,
+ /*setInternalEnergy=*/false);
+ }
+ else if (phasePresence == gPhaseOnly) {
+ // only the gas phase is present, gas phase composition is
+ // stored explicitly here below.
+
+ const Scalar xgw = priVars[switch1Idx];
+ const Scalar xgn = priVars[switch2Idx];
+ Scalar xgg = 1 - xgw - xgn;
+
+ // write mole fractions in the fluid state
+ fluidState_.setMoleFraction(gPhaseIdx, wCompIdx, xgw);
+ fluidState_.setMoleFraction(gPhaseIdx, gCompIdx, xgg);
+ fluidState_.setMoleFraction(gPhaseIdx, nCompIdx, xgn);
+
+ // calculate the composition of the remaining phases (as
+ // well as the densities of all phases). this is the job
+ // of the "ComputeFromReferencePhase" constraint solver ...
+ if (useConstraintSolver)
+ {
+ ComputeFromReferencePhase::solve(fluidState_,
+ paramCache,
+ gPhaseIdx,
+ /*setViscosity=*/true,
+ /*setInternalEnergy=*/false);
+ }
+ // ... or calculated explicitly this way ...
+ else {
+
+ // note that the water phase is actually not existing!
+ // thus, this is used as phase switch criterion
+ Scalar xww = xgw * pg_
+ / (FluidSystem::fugacityCoefficient(fluidState_,
+ wPhaseIdx,wCompIdx)
+ * pw_);
+ Scalar xwn = 1.e-10;
+ Scalar xwg = 1.e-10;
+
+ // note that the NAPL phase is actually not existing!
+ // thus, this is used as phase switch criterion
+ Scalar xnn = xgn * pg_
+ / (FluidSystem::fugacityCoefficient(fluidState_,
+ nPhaseIdx,nCompIdx)
+ * pn_);
+ Scalar xna = 1.e-10;
+ Scalar xnw = 1.e-10;
+
+ fluidState_.setMoleFraction(wPhaseIdx, wCompIdx, xww);
+ fluidState_.setMoleFraction(wPhaseIdx, gCompIdx, xwg);
+ fluidState_.setMoleFraction(wPhaseIdx, nCompIdx, xwn);
+ fluidState_.setMoleFraction(nPhaseIdx, wCompIdx, xnw);
+ fluidState_.setMoleFraction(nPhaseIdx, gCompIdx, xna);
+ fluidState_.setMoleFraction(nPhaseIdx, nCompIdx, xnn);
+
+ Scalar rhoW = FluidSystem::density(fluidState_, wPhaseIdx);
+ Scalar rhoG = FluidSystem::density(fluidState_, gPhaseIdx);
+ Scalar rhoN = FluidSystem::density(fluidState_, nPhaseIdx);
+
+ fluidState_.setDensity(wPhaseIdx, rhoW);
+ fluidState_.setDensity(gPhaseIdx, rhoG);
+ fluidState_.setDensity(nPhaseIdx, rhoN);
+ }
+ }
+ else if (phasePresence == wgPhaseOnly) {
+ // only water and gas phases are present
+ Scalar xgn = priVars[switch2Idx];
+ Scalar partPressH2O = fluidState_.fugacityCoefficient(wPhaseIdx, wCompIdx)*pw_;
+
+ Scalar xgw = partPressH2O/pg_;
+ Scalar xgg = 1.-xgn-xgw;
+
+ // write mole fractions in the fluid state
+ fluidState_.setMoleFraction(gPhaseIdx, wCompIdx, xgw);
+ fluidState_.setMoleFraction(gPhaseIdx, gCompIdx, xgg);
+ fluidState_.setMoleFraction(gPhaseIdx, nCompIdx, xgn);
+
+ // calculate the composition of the remaining phases (as
+ // well as the densities of all phases). this is the job
+ // of the "ComputeFromReferencePhase" constraint solver ...
+ if (useConstraintSolver)
+ {
+ ComputeFromReferencePhase::solve(fluidState_,
+ paramCache,
+ gPhaseIdx,
+ /*setViscosity=*/true,
+ /*setInternalEnergy=*/false);
+ }
+ // ... or calculated explicitly this way ...
+ else {
+ // actually, it's nothing else than Henry coefficient
+ Scalar xwn = xgn * pg_
+ / (FluidSystem::fugacityCoefficient(fluidState_,
+ wPhaseIdx,nCompIdx)
+ * pw_);
+ Scalar xwg = xgg * pg_
+ / (FluidSystem::fugacityCoefficient(fluidState_,
+ wPhaseIdx,gCompIdx)
+ * pw_);
+ Scalar xww = 1.-xwg-xwn;
+
+ // note that the NAPL phase is actually not existing!
+ // thus, this is used as phase switch criterion
+ Scalar xnn = xgn * pg_
+ / (FluidSystem::fugacityCoefficient(fluidState_,
+ nPhaseIdx,nCompIdx)
+ * pn_);
+ Scalar xna = 1.e-10;
+ Scalar xnw = 1.e-10;
+
+ fluidState_.setMoleFraction(wPhaseIdx, wCompIdx, xww);
+ fluidState_.setMoleFraction(wPhaseIdx, gCompIdx, xwg);
+ fluidState_.setMoleFraction(wPhaseIdx, nCompIdx, xwn);
+ fluidState_.setMoleFraction(nPhaseIdx, wCompIdx, xnw);
+ fluidState_.setMoleFraction(nPhaseIdx, gCompIdx, xna);
+ fluidState_.setMoleFraction(nPhaseIdx, nCompIdx, xnn);
+
+ Scalar rhoW = FluidSystem::density(fluidState_, wPhaseIdx);
+ Scalar rhoG = FluidSystem::density(fluidState_, gPhaseIdx);
+ Scalar rhoN = FluidSystem::density(fluidState_, nPhaseIdx);
+
+ fluidState_.setDensity(wPhaseIdx, rhoW);
+ fluidState_.setDensity(gPhaseIdx, rhoG);
+ fluidState_.setDensity(nPhaseIdx, rhoN);
+ }
+ }
+ else
+ assert(false); // unhandled phase state
+
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
+ // Mobilities
+ const Scalar mu =
+ FluidSystem::viscosity(fluidState_,
+ paramCache,
+ phaseIdx);
+ fluidState_.setViscosity(phaseIdx,mu);
+
+ Scalar kr;
+ kr = MaterialLaw::kr(materialParams, phaseIdx,
+ fluidState_.saturation(wPhaseIdx),
+ fluidState_.saturation(nPhaseIdx),
+ fluidState_.saturation(gPhaseIdx));
+ mobility_[phaseIdx] = kr / mu;
+ Valgrind::CheckDefined(mobility_[phaseIdx]);
+ }
+
+ // material dependent parameters for NAPL adsorption
+ bulkDensTimesAdsorpCoeff_ =
+ MaterialLaw::bulkDensTimesAdsorpCoeff(materialParams);
+
+ /* ATTENTION: The conversion to effective diffusion parameters
+ * for the porous media happens at another place!
+ */
+
+ // diffusivity coefficents
+ diffusionCoefficient_[gPhaseIdx][wCompIdx] =
+ FluidSystem::diffusionCoefficient(fluidState_,
+ paramCache,
+ gPhaseIdx,
+ wCompIdx);
+ diffusionCoefficient_[gPhaseIdx][nCompIdx] =
+ FluidSystem::diffusionCoefficient(fluidState_,
+ paramCache,
+ gPhaseIdx,
+ nCompIdx);
+ diffusionCoefficient_[gPhaseIdx][gCompIdx] = 0.0; // dummy, should not be used !
+
+ diffusionCoefficient_[wPhaseIdx][gCompIdx] =
+ FluidSystem::diffusionCoefficient(fluidState_,
+ paramCache,
+ wPhaseIdx,
+ gCompIdx);
+ diffusionCoefficient_[wPhaseIdx][nCompIdx] =
+ FluidSystem::diffusionCoefficient(fluidState_,
+ paramCache,
+ wPhaseIdx,
+ nCompIdx);
+ diffusionCoefficient_[wPhaseIdx][wCompIdx] = 0.0; // dummy, should not be used !
+
+ /* no diffusion in NAPL phase considered at the moment */
+ diffusionCoefficient_[nPhaseIdx][nCompIdx] = 0.0;
+ diffusionCoefficient_[nPhaseIdx][wCompIdx] = 0.0;
+ diffusionCoefficient_[nPhaseIdx][gCompIdx] = 0.0;
+
+ Valgrind::CheckDefined(diffusionCoefficient_);
+
+ // porosity
+ porosity_ = problem.spatialParams().porosity(element,
+ fvGeometry,
+ scvIdx);
+ Valgrind::CheckDefined(porosity_);
+
+ // energy related quantities not contained in the fluid state
+ asImp_().updateEnergy_(priVars, problem, element, fvGeometry, scvIdx, isOldSol);
+ // compute and set the enthalpy
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
+ {
+ Scalar h = Implementation::enthalpy_(fluidState_, paramCache, phaseIdx);
+ fluidState_.setEnthalpy(phaseIdx, h);
+ }
+ }
+
+ /*!
+ * \brief Returns the phase state for the control volume.
+ */
+ const FluidState &fluidState() const
+ { return fluidState_; }
+
+ /*!
+ * \brief Returns the effective saturation of a given phase within
+ * the control volume.
+ *
+ * \param phaseIdx The phase index
+ */
+ Scalar saturation(const int phaseIdx) const
+ { return fluidState_.saturation(phaseIdx); }
+
+ /*!
+ * \brief Returns the mass fraction of a given component in a
+ * given phase within the control volume in \f$[-]\f$.
+ *
+ * \param phaseIdx The phase index
+ * \param compIdx The component index
+ */
+ Scalar massFraction(const int phaseIdx, const int compIdx) const
+ { return fluidState_.massFraction(phaseIdx, compIdx); }
+
+ /*!
+ * \brief Returns the mole fraction of a given component in a
+ * given phase within the control volume in \f$[-]\f$.
+ *
+ * \param phaseIdx The phase index
+ * \param compIdx The component index
+ */
+ Scalar moleFraction(const int phaseIdx, const int compIdx) const
+ { return fluidState_.moleFraction(phaseIdx, compIdx); }
+
+ /*!
+ * \brief Returns the mass density of a given phase within the
+ * control volume.
+ *
+ * \param phaseIdx The phase index
+ */
+ Scalar density(const int phaseIdx) const
+ { return fluidState_.density(phaseIdx); }
+
+ /*!
+ * \brief Returns the molar density of a given phase within the
+ * control volume.
+ *
+ * \param phaseIdx The phase index
+ */
+ Scalar molarDensity(const int phaseIdx) const
+ { return fluidState_.density(phaseIdx) / fluidState_.averageMolarMass(phaseIdx); }
+
+ /*!
+ * \brief Returns the effective pressure of a given phase within
+ * the control volume.
+ *
+ * \param phaseIdx The phase index
+ */
+ Scalar pressure(const int phaseIdx) const
+ { return fluidState_.pressure(phaseIdx); }
+
+ /*!
+ * \brief Returns temperature inside the sub-control volume.
+ *
+ * Note that we assume thermodynamic equilibrium, i.e. the
+ * temperatures of the rock matrix and of all fluid phases are
+ * identical.
+ */
+ Scalar temperature() const
+ { return fluidState_.temperature(/*phaseIdx=*/0); }
+
+ /*!
+ * \brief Returns the effective mobility of a given phase within
+ * the control volume.
+ *
+ * \param phaseIdx The phase index
+ */
+ Scalar mobility(const int phaseIdx) const
+ {
+ return mobility_[phaseIdx];
+ }
+
+ /*!
+ * \brief Returns the effective capillary pressure within the control volume.
+ */
+ Scalar capillaryPressure() const
+ { return fluidState_.capillaryPressure(); }
+
+ /*!
+ * \brief Returns the average porosity within the control volume.
+ */
+ Scalar porosity() const
+ { return porosity_; }
+
+ /*!
+ * \brief Returns the diffusivity coefficient matrix.
+ */
+ Dune::FieldMatrix<Scalar, numPhases, numComponents> diffusionCoefficient() const
+ { return diffusionCoefficient_; }
+
+ /*!
+ * \brief Returns the adsorption information.
+ */
+ Scalar bulkDensTimesAdsorpCoeff() const
+ { return bulkDensTimesAdsorpCoeff_; }
+
+
+protected:
+
+ static Scalar temperature_(const PrimaryVariables &priVars,
+ const Problem &problem,
+ const Element &element,
+ const FVElementGeometry &fvGeometry,
+ const int scvIdx)
+ {
+ return problem.temperatureAtPos(fvGeometry.subContVol[scvIdx].global);
+ }
+
+ /*!
+ * \brief Called by update() to compute the energy related quantities
+ */
+ void updateEnergy_(const PrimaryVariables &priVars,
+ const Problem &problem,
+ const Element &element,
+ const FVElementGeometry &fvGeometry,
+ const int scvIdx,
+ bool isOldSol)
+ { }
+
+ template<class ParameterCache>
+ static Scalar enthalpy_(const FluidState& fluidState,
+ const ParameterCache& paramCache,
+ const int phaseIdx)
+ {
+ return 0;
+ }
+
+ Scalar sw_, sg_, sn_, pg_, pw_, pn_;
+
+ Scalar moleFrac_[numPhases][numComponents];
+ Scalar massFrac_[numPhases][numComponents];
+
+ Scalar porosity_; //!< Effective porosity within the control volume
+ Scalar mobility_[numPhases]; //!< Effective mobility within the control volume
+ Scalar bulkDensTimesAdsorpCoeff_; //!< the basis for calculating adsorbed NAPL
+ /* We need a tensor here !! */
+ //!< Binary diffusion coefficients of the 3 components in the phases
+ Dune::FieldMatrix<Scalar, numPhases, numComponents> diffusionCoefficient_;
+ FluidState fluidState_;
+
+private:
+ Implementation &asImp_()
+ { return *static_cast<Implementation*>(this); }
+
+ const Implementation &asImp_() const
+ { return *static_cast<const Implementation*>(this); }
+};
+
+template <class TypeTag>
+const typename ThreePThreeCVolumeVariables<TypeTag>::Scalar ThreePThreeCVolumeVariables<TypeTag>::R
+ = Constants<typename GET_PROP_TYPE(TypeTag, Scalar)>::R;
+
+} // end namespace
+
+#endif
diff --git a/test/material/fluidmatrixinteractions/2p/thermalconductivityjohansenproblem.hh b/test/material/fluidmatrixinteractions/2p/thermalconductivityjohansenproblem.hh
index bf4a1ced20..dd84bc4751 100644
--- a/test/material/fluidmatrixinteractions/2p/thermalconductivityjohansenproblem.hh
+++ b/test/material/fluidmatrixinteractions/2p/thermalconductivityjohansenproblem.hh
@@ -28,7 +28,7 @@
#include <dumux/material/fluidsystems/h2on2fluidsystem.hh>
-#include <dumux/implicit/2p2c/2p2cmodel.hh>
+#include <dumux/porousmediumflow/2p2c/implicit/model.hh>
#include <dumux/porousmediumflow/implicit/problem.hh>
#include <dumux/material/fluidmatrixinteractions/2p/thermalconductivityjohansen.hh>
diff --git a/test/material/fluidmatrixinteractions/2p/thermalconductivitysomertonproblem.hh b/test/material/fluidmatrixinteractions/2p/thermalconductivitysomertonproblem.hh
index 965ac84f8a..48d65dbdd9 100644
--- a/test/material/fluidmatrixinteractions/2p/thermalconductivitysomertonproblem.hh
+++ b/test/material/fluidmatrixinteractions/2p/thermalconductivitysomertonproblem.hh
@@ -28,7 +28,7 @@
#include <dumux/material/fluidsystems/h2on2fluidsystem.hh>
-#include <dumux/implicit/2p2c/2p2cmodel.hh>
+#include <dumux/porousmediumflow/2p2c/implicit/model.hh>
#include <dumux/porousmediumflow/implicit/problem.hh>
#include <dumux/material/fluidmatrixinteractions/2p/thermalconductivitysomerton.hh>
diff --git a/test/material/fluidmatrixinteractions/2p/thermalconductivityspatialparams.hh b/test/material/fluidmatrixinteractions/2p/thermalconductivityspatialparams.hh
index 6d193a258e..c33dc54687 100644
--- a/test/material/fluidmatrixinteractions/2p/thermalconductivityspatialparams.hh
+++ b/test/material/fluidmatrixinteractions/2p/thermalconductivityspatialparams.hh
@@ -29,7 +29,7 @@
#include <dumux/material/fluidmatrixinteractions/2p/regularizedbrookscorey.hh>
#include <dumux/material/fluidmatrixinteractions/2p/efftoabslaw.hh>
-#include <dumux/implicit/2p2c/2p2cmodel.hh>
+#include <dumux/porousmediumflow/2p2c/implicit/model.hh>
namespace Dumux
{
diff --git a/test/material/fluidmatrixinteractions/effectivediffusivityconstanttauproblem.hh b/test/material/fluidmatrixinteractions/effectivediffusivityconstanttauproblem.hh
index 5bc8aa394a..64e0963b96 100644
--- a/test/material/fluidmatrixinteractions/effectivediffusivityconstanttauproblem.hh
+++ b/test/material/fluidmatrixinteractions/effectivediffusivityconstanttauproblem.hh
@@ -28,7 +28,7 @@
#include <dumux/material/fluidsystems/h2on2fluidsystem.hh>
-#include <dumux/implicit/2p2c/2p2cmodel.hh>
+#include <dumux/porousmediumflow/2p2c/implicit/model.hh>
#include <dumux/porousmediumflow/implicit/problem.hh>
#include <dumux/material/fluidmatrixinteractions/diffusivityconstanttau.hh>
diff --git a/test/material/fluidmatrixinteractions/effectivediffusivitymillingtonquirkproblem.hh b/test/material/fluidmatrixinteractions/effectivediffusivitymillingtonquirkproblem.hh
index 40dcb8d30a..1cb0d2d979 100644
--- a/test/material/fluidmatrixinteractions/effectivediffusivitymillingtonquirkproblem.hh
+++ b/test/material/fluidmatrixinteractions/effectivediffusivitymillingtonquirkproblem.hh
@@ -28,7 +28,7 @@
#include <dumux/material/fluidsystems/h2on2fluidsystem.hh>
-#include <dumux/implicit/2p2c/2p2cmodel.hh>
+#include <dumux/porousmediumflow/2p2c/implicit/model.hh>
#include <dumux/porousmediumflow/implicit/problem.hh>
#include <dumux/material/fluidmatrixinteractions/diffusivitymillingtonquirk.hh>
diff --git a/test/material/fluidmatrixinteractions/effectivediffusivityspatialparams.hh b/test/material/fluidmatrixinteractions/effectivediffusivityspatialparams.hh
index e778697e64..eebfbfa931 100644
--- a/test/material/fluidmatrixinteractions/effectivediffusivityspatialparams.hh
+++ b/test/material/fluidmatrixinteractions/effectivediffusivityspatialparams.hh
@@ -29,7 +29,7 @@
#include <dumux/material/fluidmatrixinteractions/2p/regularizedbrookscorey.hh>
#include <dumux/material/fluidmatrixinteractions/2p/efftoabslaw.hh>
-#include <dumux/implicit/2p2c/2p2cmodel.hh>
+#include <dumux/porousmediumflow/2p2c/implicit/model.hh>
namespace Dumux
{
diff --git a/test/multidomain/2cnistokes2p2cni/2p2cnisubproblem.hh b/test/multidomain/2cnistokes2p2cni/2p2cnisubproblem.hh
index 23d36df3ac..20688c0c7b 100644
--- a/test/multidomain/2cnistokes2p2cni/2p2cnisubproblem.hh
+++ b/test/multidomain/2cnistokes2p2cni/2p2cnisubproblem.hh
@@ -27,7 +27,7 @@
#include <dune/common/float_cmp.hh>
#include <dumux/porousmediumflow/implicit/problem.hh>
-#include <dumux/implicit/2p2c/2p2cmodel.hh>
+#include <dumux/porousmediumflow/2p2c/implicit/model.hh>
#include <dumux/io/gnuplotinterface.hh>
#include <dumux/multidomain/2cnistokes2p2cni/2p2cnicouplinglocalresidual.hh>
#include <dumux/multidomain/common/subdomainpropertydefaults.hh>
diff --git a/test/multidomain/2cnizeroeq2p2cni/2p2cnisubproblem.hh b/test/multidomain/2cnizeroeq2p2cni/2p2cnisubproblem.hh
index 5866f3a692..45504fe96b 100644
--- a/test/multidomain/2cnizeroeq2p2cni/2p2cnisubproblem.hh
+++ b/test/multidomain/2cnizeroeq2p2cni/2p2cnisubproblem.hh
@@ -24,7 +24,7 @@
#ifndef DUMUX_2P2CNISUB_PROBLEM_HH
#define DUMUX_2P2CNISUB_PROBLEM_HH
-#include <dumux/implicit/2p2c/2p2cindices.hh>
+#include <dumux/porousmediumflow/2p2c/implicit/indices.hh>
#include <dumux/porousmediumflow/implicit/problem.hh>
#include <dumux/material/fluidmatrixinteractions/2p/thermalconductivityjohansen.hh>
#include <dumux/material/fluidmatrixinteractions/2p/thermalconductivitysomerton.hh>
diff --git a/test/multidomain/2cstokes2p2c/2p2csubproblem.hh b/test/multidomain/2cstokes2p2c/2p2csubproblem.hh
index d1eb5f75b8..edfb76caf2 100644
--- a/test/multidomain/2cstokes2p2c/2p2csubproblem.hh
+++ b/test/multidomain/2cstokes2p2c/2p2csubproblem.hh
@@ -26,7 +26,7 @@
#include <dune/common/float_cmp.hh>
-#include <dumux/implicit/2p2c/2p2cindices.hh>
+#include <dumux/porousmediumflow/2p2c/implicit/indices.hh>
#include <dumux/porousmediumflow/implicit/problem.hh>
#include <dumux/multidomain/2cstokes2p2c/2p2ccouplinglocalresidual.hh>
#include <dumux/multidomain/common/subdomainpropertydefaults.hh>
diff --git a/test/multidomain/2czeroeq2p2c/2p2csubproblem.hh b/test/multidomain/2czeroeq2p2c/2p2csubproblem.hh
index 706e50daa6..f7a26669f0 100644
--- a/test/multidomain/2czeroeq2p2c/2p2csubproblem.hh
+++ b/test/multidomain/2czeroeq2p2c/2p2csubproblem.hh
@@ -25,7 +25,7 @@
#ifndef DUMUX_TWOPTWOC_SUBPROBLEM_HH
#define DUMUX_TWOPTWOC_SUBPROBLEM_HH
-#include <dumux/implicit/2p2c/2p2cindices.hh>
+#include <dumux/porousmediumflow/2p2c/implicit/indices.hh>
#include <dumux/porousmediumflow/implicit/problem.hh>
#include <dumux/multidomain/common/subdomainpropertydefaults.hh>
#include <dumux/multidomain/common/multidomainlocaloperator.hh>
diff --git a/test/porousmediumflow/1p2c/implicit/1p2cniconductionproblem.hh b/test/porousmediumflow/1p2c/implicit/1p2cniconductionproblem.hh
index 30fe8390ae..533e9a3789 100644
--- a/test/porousmediumflow/1p2c/implicit/1p2cniconductionproblem.hh
+++ b/test/porousmediumflow/1p2c/implicit/1p2cniconductionproblem.hh
@@ -27,7 +27,7 @@
#include <dune/grid/io/file/dgfparser/dgfyasp.hh>
-#include <dumux/implicit/1p2c/1p2cmodel.hh>
+#include <dumux/porousmediumflow/1p2c/implicit/model.hh>
#include <dumux/porousmediumflow/implicit/problem.hh>
#include <dumux/material/fluidsystems/h2on2liquidphasefluidsystem.hh>
diff --git a/test/porousmediumflow/1p2c/implicit/1p2cniconvectionproblem.hh b/test/porousmediumflow/1p2c/implicit/1p2cniconvectionproblem.hh
index 33c23231f3..df86cd7e4c 100644
--- a/test/porousmediumflow/1p2c/implicit/1p2cniconvectionproblem.hh
+++ b/test/porousmediumflow/1p2c/implicit/1p2cniconvectionproblem.hh
@@ -28,7 +28,7 @@
#include <dune/grid/io/file/dgfparser/dgfyasp.hh>
-#include <dumux/implicit/1p2c/1p2cmodel.hh>
+#include <dumux/porousmediumflow/1p2c/implicit/model.hh>
#include <dumux/porousmediumflow/implicit/problem.hh>
#include <dumux/material/components/h2o.hh>
#include <dumux/material/fluidsystems/h2on2liquidphasefluidsystem.hh>
diff --git a/test/porousmediumflow/1p2c/implicit/1p2coutflowproblem.hh b/test/porousmediumflow/1p2c/implicit/1p2coutflowproblem.hh
index 86479bb40d..7e1f814c1d 100644
--- a/test/porousmediumflow/1p2c/implicit/1p2coutflowproblem.hh
+++ b/test/porousmediumflow/1p2c/implicit/1p2coutflowproblem.hh
@@ -29,7 +29,7 @@
#endif
#include <dune/grid/io/file/dgfparser/dgfyasp.hh>
-#include <dumux/implicit/1p2c/1p2cmodel.hh>
+#include <dumux/porousmediumflow/1p2c/implicit/model.hh>
#include <dumux/porousmediumflow/implicit/problem.hh>
#include <dumux/material/fluidsystems/h2on2liquidphasefluidsystem.hh>
diff --git a/test/porousmediumflow/2p2c/implicit/injectionproblem.hh b/test/porousmediumflow/2p2c/implicit/injectionproblem.hh
index 6a4c19181c..eea1ceaeff 100644
--- a/test/porousmediumflow/2p2c/implicit/injectionproblem.hh
+++ b/test/porousmediumflow/2p2c/implicit/injectionproblem.hh
@@ -26,7 +26,7 @@
#include <dune/grid/io/file/dgfparser/dgfyasp.hh>
-#include <dumux/implicit/2p2c/2p2cmodel.hh>
+#include <dumux/porousmediumflow/2p2c/implicit/model.hh>
#include <dumux/porousmediumflow/implicit/problem.hh>
#include <dumux/material/fluidsystems/h2on2fluidsystem.hh>
diff --git a/test/porousmediumflow/2p2c/implicit/injectionspatialparams.hh b/test/porousmediumflow/2p2c/implicit/injectionspatialparams.hh
index 029140c28e..3b9181bf70 100644
--- a/test/porousmediumflow/2p2c/implicit/injectionspatialparams.hh
+++ b/test/porousmediumflow/2p2c/implicit/injectionspatialparams.hh
@@ -31,7 +31,7 @@
#include <dumux/material/fluidmatrixinteractions/2p/regularizedbrookscorey.hh>
#include <dumux/material/fluidmatrixinteractions/2p/efftoabslaw.hh>
-#include <dumux/implicit/2p2c/2p2cproperties.hh>
+#include <dumux/porousmediumflow/2p2c/implicit/properties.hh>
namespace Dumux
{
diff --git a/test/porousmediumflow/2p2c/implicit/waterairproblem.hh b/test/porousmediumflow/2p2c/implicit/waterairproblem.hh
index fd01cefbc8..ba6b25f33e 100644
--- a/test/porousmediumflow/2p2c/implicit/waterairproblem.hh
+++ b/test/porousmediumflow/2p2c/implicit/waterairproblem.hh
@@ -29,7 +29,7 @@
#include <dumux/material/fluidsystems/h2on2fluidsystem.hh>
-#include <dumux/implicit/2p2c/2p2cmodel.hh>
+#include <dumux/porousmediumflow/2p2c/implicit/model.hh>
#include <dumux/porousmediumflow/implicit/problem.hh>
#include "waterairspatialparams.hh"
diff --git a/test/porousmediumflow/2p2c/implicit/waterairspatialparams.hh b/test/porousmediumflow/2p2c/implicit/waterairspatialparams.hh
index b3b071d942..a8f534877e 100644
--- a/test/porousmediumflow/2p2c/implicit/waterairspatialparams.hh
+++ b/test/porousmediumflow/2p2c/implicit/waterairspatialparams.hh
@@ -31,7 +31,7 @@
#include <dumux/material/fluidmatrixinteractions/2p/regularizedbrookscorey.hh>
#include <dumux/material/fluidmatrixinteractions/2p/efftoabslaw.hh>
-#include <dumux/implicit/2p2c/2p2cmodel.hh>
+#include <dumux/porousmediumflow/2p2c/implicit/model.hh>
namespace Dumux
{
diff --git a/test/porousmediumflow/2pnc/implicit/fuelcellproblem.hh b/test/porousmediumflow/2pnc/implicit/fuelcellproblem.hh
index 19d547f1ab..fe77d0fd46 100644
--- a/test/porousmediumflow/2pnc/implicit/fuelcellproblem.hh
+++ b/test/porousmediumflow/2pnc/implicit/fuelcellproblem.hh
@@ -25,7 +25,7 @@
#define DUMUX_FUELCELL_PROBLEM_HH
#include <dumux/io/cubegridcreator.hh>
-#include <dumux/implicit/2pnc/2pncmodel.hh>
+#include <dumux/porousmediumflow/2pnc/implicit/model.hh>
#include <dumux/porousmediumflow/implicit/problem.hh>
#include <dumux/material/fluidsystems/h2on2o2fluidsystem.hh>
#include <dumux/material/constants.hh>
diff --git a/test/porousmediumflow/2pnc/implicit/fuelcellspatialparams.hh b/test/porousmediumflow/2pnc/implicit/fuelcellspatialparams.hh
index 9ee7aed63e..a194f5667b 100644
--- a/test/porousmediumflow/2pnc/implicit/fuelcellspatialparams.hh
+++ b/test/porousmediumflow/2pnc/implicit/fuelcellspatialparams.hh
@@ -31,7 +31,7 @@
#include <dumux/material/fluidmatrixinteractions/2p/regularizedbrookscorey.hh>
#include <dumux/material/fluidmatrixinteractions/2p/regularizedvangenuchten.hh>
#include <dumux/material/fluidmatrixinteractions/2p/philtophoblaw.hh>
-#include <dumux/implicit/2pnc/2pncmodel.hh>
+#include <dumux/porousmediumflow/2pnc/implicit/model.hh>
namespace Dumux
{
diff --git a/test/porousmediumflow/2pncmin/implicit/dissolutionproblem.hh b/test/porousmediumflow/2pncmin/implicit/dissolutionproblem.hh
index 73644c5552..6027ac1a96 100644
--- a/test/porousmediumflow/2pncmin/implicit/dissolutionproblem.hh
+++ b/test/porousmediumflow/2pncmin/implicit/dissolutionproblem.hh
@@ -24,7 +24,7 @@
#ifndef DUMUX_DISSOLUTION_PROBLEM_HH
#define DUMUX_DISSOLUTION_PROBLEM_HH
-#include <dumux/implicit/2pncmin/2pncminmodel.hh>
+#include <dumux/porousmediumflow/2pncmin/implicit/model.hh>
#include <dumux/porousmediumflow/implicit/problem.hh>
#include<dumux/material/fluidsystems/brineairfluidsystem.hh>
diff --git a/test/porousmediumflow/2pncmin/implicit/dissolutionspatialparams.hh b/test/porousmediumflow/2pncmin/implicit/dissolutionspatialparams.hh
index dc40d8de56..6a79121406 100644
--- a/test/porousmediumflow/2pncmin/implicit/dissolutionspatialparams.hh
+++ b/test/porousmediumflow/2pncmin/implicit/dissolutionspatialparams.hh
@@ -19,7 +19,7 @@
#ifndef DUMUX_INJECTION_SPATIAL_PARAMETERS_HH
#define DUMUX_INJECTION_SPATIAL_PARAMETERS_HH
-#include <dumux/implicit/2pncmin/2pncminindices.hh>
+#include <dumux/porousmediumflow/2pncmin/implicit/indices.hh>
#include <dumux/material/spatialparams/implicitspatialparams.hh>
#include <dumux/material/fluidmatrixinteractions/2p/linearmaterial.hh>
#include <dumux/material/fluidmatrixinteractions/2p/regularizedbrookscorey.hh>
diff --git a/test/porousmediumflow/3p/implicit/3pnispatialparams.hh b/test/porousmediumflow/3p/implicit/3pnispatialparams.hh
index 441231520f..a83292de10 100644
--- a/test/porousmediumflow/3p/implicit/3pnispatialparams.hh
+++ b/test/porousmediumflow/3p/implicit/3pnispatialparams.hh
@@ -24,7 +24,7 @@
#ifndef DUMUX_THREEPNI_SPATIAL_PARAMS_HH
#define DUMUX_THREEPNI_SPATIAL_PARAMS_HH
-#include <dumux/implicit/3p3c/3p3cindices.hh>
+#include <dumux/porousmediumflow/3p3c/implicit/indices.hh>
#include <dumux/material/spatialparams/implicitspatialparams.hh>
#include <dumux/material/fluidmatrixinteractions/3p/regularizedparkervangen3p.hh>
#include <dumux/material/fluidmatrixinteractions/3p/regularizedparkervangen3pparams.hh>
diff --git a/test/porousmediumflow/3p/implicit/infiltration3pspatialparams.hh b/test/porousmediumflow/3p/implicit/infiltration3pspatialparams.hh
index bcf6547a55..92db70a4d6 100644
--- a/test/porousmediumflow/3p/implicit/infiltration3pspatialparams.hh
+++ b/test/porousmediumflow/3p/implicit/infiltration3pspatialparams.hh
@@ -25,7 +25,7 @@
#ifndef DUMUX_INFILTRATION_THREEP_SPATIAL_PARAMS_HH
#define DUMUX_INFILTRATION_THREEP_SPATIAL_PARAMS_HH
-#include <dumux/implicit/3p3c/3p3cindices.hh>
+#include <dumux/porousmediumflow/3p3c/implicit/indices.hh>
#include <dumux/material/spatialparams/implicitspatialparams.hh>
#include <dumux/material/fluidmatrixinteractions/3p/regularizedparkervangen3p.hh>
#include <dumux/material/fluidmatrixinteractions/3p/regularizedparkervangen3pparams.hh>
diff --git a/test/porousmediumflow/3p3c/implicit/columnxylolproblem.hh b/test/porousmediumflow/3p3c/implicit/columnxylolproblem.hh
index 2f10cd732d..28b2566923 100644
--- a/test/porousmediumflow/3p3c/implicit/columnxylolproblem.hh
+++ b/test/porousmediumflow/3p3c/implicit/columnxylolproblem.hh
@@ -29,7 +29,7 @@
#include <dumux/material/fluidsystems/h2oairxylenefluidsystem.hh>
-#include <dumux/implicit/3p3c/3p3cmodel.hh>
+#include <dumux/porousmediumflow/3p3c/implicit/model.hh>
#include <dumux/porousmediumflow/implicit/problem.hh>
#include "columnxylolspatialparams.hh"
diff --git a/test/porousmediumflow/3p3c/implicit/columnxylolspatialparams.hh b/test/porousmediumflow/3p3c/implicit/columnxylolspatialparams.hh
index 436f3a033d..c4bd4ac7c3 100644
--- a/test/porousmediumflow/3p3c/implicit/columnxylolspatialparams.hh
+++ b/test/porousmediumflow/3p3c/implicit/columnxylolspatialparams.hh
@@ -24,7 +24,7 @@
#ifndef DUMUX_COLUMNXYLOL_SPATIAL_PARAMS_HH
#define DUMUX_COLUMNXYLOL_SPATIAL_PARAMS_HH
-#include <dumux/implicit/3p3c/3p3cindices.hh>
+#include <dumux/porousmediumflow/3p3c/implicit/indices.hh>
#include <dumux/material/spatialparams/implicitspatialparams.hh>
#include <dumux/material/fluidmatrixinteractions/3p/regularizedparkervangen3p.hh>
#include <dumux/material/fluidmatrixinteractions/3p/regularizedparkervangen3pparams.hh>
diff --git a/test/porousmediumflow/3p3c/implicit/infiltrationproblem.hh b/test/porousmediumflow/3p3c/implicit/infiltrationproblem.hh
index 8eaf28c0ed..5a3129a3ec 100644
--- a/test/porousmediumflow/3p3c/implicit/infiltrationproblem.hh
+++ b/test/porousmediumflow/3p3c/implicit/infiltrationproblem.hh
@@ -29,7 +29,7 @@
#include <dumux/material/fluidsystems/h2oairmesitylenefluidsystem.hh>
-#include <dumux/implicit/3p3c/3p3cmodel.hh>
+#include <dumux/porousmediumflow/3p3c/implicit/model.hh>
#include <dumux/porousmediumflow/implicit/problem.hh>
#include "infiltrationspatialparameters.hh"
diff --git a/test/porousmediumflow/3p3c/implicit/infiltrationspatialparameters.hh b/test/porousmediumflow/3p3c/implicit/infiltrationspatialparameters.hh
index e5b22b8677..024e32bffd 100644
--- a/test/porousmediumflow/3p3c/implicit/infiltrationspatialparameters.hh
+++ b/test/porousmediumflow/3p3c/implicit/infiltrationspatialparameters.hh
@@ -26,7 +26,7 @@
#ifndef DUMUX_INFILTRATION_SPATIAL_PARAMETERS_HH
#define DUMUX_INFILTRATION_SPATIAL_PARAMETERS_HH
-#include <dumux/implicit/3p3c/3p3cindices.hh>
+#include <dumux/porousmediumflow/3p3c/implicit/indices.hh>
#include <dumux/material/spatialparams/implicitspatialparams.hh>
#include <dumux/material/fluidmatrixinteractions/3p/regularizedparkervangen3p.hh>
#include <dumux/material/fluidmatrixinteractions/3p/regularizedparkervangen3pparams.hh>
diff --git a/test/porousmediumflow/3p3c/implicit/kuevetteproblem.hh b/test/porousmediumflow/3p3c/implicit/kuevetteproblem.hh
index 0b5dba8358..2f07ac940f 100644
--- a/test/porousmediumflow/3p3c/implicit/kuevetteproblem.hh
+++ b/test/porousmediumflow/3p3c/implicit/kuevetteproblem.hh
@@ -31,7 +31,7 @@
#include <dumux/material/fluidsystems/h2oairmesitylenefluidsystem.hh>
-#include <dumux/implicit/3p3c/3p3cmodel.hh>
+#include <dumux/porousmediumflow/3p3c/implicit/model.hh>
#include <dumux/porousmediumflow/implicit/problem.hh>
#include "kuevettespatialparams.hh"
diff --git a/test/porousmediumflow/3p3c/implicit/kuevettespatialparams.hh b/test/porousmediumflow/3p3c/implicit/kuevettespatialparams.hh
index 1bd6bbec7f..39f1e2fc1d 100644
--- a/test/porousmediumflow/3p3c/implicit/kuevettespatialparams.hh
+++ b/test/porousmediumflow/3p3c/implicit/kuevettespatialparams.hh
@@ -26,7 +26,7 @@
#include <dune/common/float_cmp.hh>
-#include <dumux/implicit/3p3c/3p3cindices.hh>
+#include <dumux/porousmediumflow/3p3c/implicit/indices.hh>
#include <dumux/material/spatialparams/implicitspatialparams.hh>
#include <dumux/material/fluidmatrixinteractions/3p/regularizedparkervangen3p.hh>
#include <dumux/material/fluidmatrixinteractions/3p/regularizedparkervangen3pparams.hh>
--
GitLab