From d566020e98375b468904ad54b92ad996b85740ba Mon Sep 17 00:00:00 2001
From: Philipp Nuske <philipp.nuske@mailbox.org>
Date: Wed, 9 Apr 2014 16:25:44 +0000
Subject: [PATCH] Adding a new test problem for the mpnc model: Local chemical
equilibrium and local thermal non-equilibrium with two energy equations.
A new fluidsystem with constant properties is implemented.
The fluid temperature on the right boundary is verified by an analytical approximation for the stationary configuration.
reviewed by Christoph
git-svn-id: svn://svn.iws.uni-stuttgart.de/DUMUX/dumux/trunk@12743 2fb0f335-1f38-0410-981e-8018bf24f1b0
---
.../purewatersimplefluidsystem.hh | 581 ++++++
test/implicit/mpnc/CMakeLists.txt | 11 +
test/implicit/mpnc/Makefile.am | 3 +-
test/implicit/mpnc/combustionproblem1c.hh | 792 ++++++++
test/implicit/mpnc/combustionspatialparams.hh | 372 ++++
.../combustionOutflowGridLinNX100LogNx100.dgf | 410 +++++
.../combustionOutflowGridLinNX200LogNx200.dgf | 810 +++++++++
.../combustionOutflowGridLinNX400LogNx400.dgf | 1610 +++++++++++++++++
.../combustionOutflowGridLinNX40LogNx40.dgf | 170 ++
.../mpnc/test_boxmpncthermalnonequil.cc | 64 +
.../mpnc/test_boxmpncthermalnonequil.input | 83 +
test/references/combustion-reference.vtp | 614 +++++++
12 files changed, 5519 insertions(+), 1 deletion(-)
create mode 100644 dumux/material/fluidsystems/purewatersimplefluidsystem.hh
create mode 100644 test/implicit/mpnc/combustionproblem1c.hh
create mode 100644 test/implicit/mpnc/combustionspatialparams.hh
create mode 100644 test/implicit/mpnc/grids/combustionOutflowGridLinNX100LogNx100.dgf
create mode 100644 test/implicit/mpnc/grids/combustionOutflowGridLinNX200LogNx200.dgf
create mode 100644 test/implicit/mpnc/grids/combustionOutflowGridLinNX400LogNx400.dgf
create mode 100644 test/implicit/mpnc/grids/combustionOutflowGridLinNX40LogNx40.dgf
create mode 100644 test/implicit/mpnc/test_boxmpncthermalnonequil.cc
create mode 100644 test/implicit/mpnc/test_boxmpncthermalnonequil.input
create mode 100644 test/references/combustion-reference.vtp
diff --git a/dumux/material/fluidsystems/purewatersimplefluidsystem.hh b/dumux/material/fluidsystems/purewatersimplefluidsystem.hh
new file mode 100644
index 0000000000..00182da50b
--- /dev/null
+++ b/dumux/material/fluidsystems/purewatersimplefluidsystem.hh
@@ -0,0 +1,581 @@
+// -*- 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 twophase fluid system with water and nitrogen as components.
+ */
+#ifndef DUMUX_PURE_WATER_FLUID_SYSTEM_HH
+#define DUMUX_PURE_WATER_FLUID_SYSTEM_HH
+
+#include <cassert>
+
+#include <dumux/material/idealgas.hh>
+
+#include <dumux/material/components/n2.hh>
+#include <dumux/material/components/h2o.hh>
+#include <dumux/material/components/simpleh2o.hh>
+#include <dumux/material/components/tabulatedcomponent.hh>
+#include <dumux/material/binarycoefficients/h2o_n2.hh>
+
+#include <dumux/common/valgrind.hh>
+#include <dumux/common/exceptions.hh>
+
+#include <dumux/material/fluidsystems/basefluidsystem.hh>
+
+#ifdef DUMUX_PROPERTIES_HH
+#include <dumux/common/basicproperties.hh>
+#include <dumux/material/fluidsystems/defaultcomponents.hh>
+#endif
+
+namespace Dumux
+{
+namespace FluidSystems
+{
+
+/*!
+ * \ingroup Fluidsystems
+ *
+ * \brief A two-phase fluid system with water as sole component.
+ * Values are taken from Shi & Wang, A numerical investigation of transpiration cooling with liquid coolant phase change, Transport in Porous Media, 2011
+ *
+ * This FluidSystem can be used without the PropertySystem that is applied in Dumux,
+ * as all Parameters are defined via template parameters. Hence it is in an
+ * additional namespace Dumux::FluidSystem::.
+ * An adapter class using Dumux::FluidSystem<TypeTag> is also provided
+ * at the end of this file.
+ */
+template <class Scalar, bool useComplexRelations = false>
+class PureWaterSimpleFluidSystem
+ : public BaseFluidSystem<Scalar, PureWaterSimpleFluidSystem<Scalar, useComplexRelations> >
+{
+ typedef PureWaterSimpleFluidSystem<Scalar, useComplexRelations> ThisType;
+ typedef BaseFluidSystem<Scalar, ThisType> Base;
+
+ // convenience typedefs
+ typedef Dumux::IdealGas<Scalar> IdealGas;
+ typedef Dumux::SimpleH2O<Scalar> SimpleH2O;
+ typedef Dumux::N2<Scalar> SimpleN2;
+
+public:
+ /****************************************
+ * Fluid phase related static parameters
+ ****************************************/
+
+ //! Number of phases in the fluid system
+ static constexpr int numPhases = 2;
+
+ static constexpr int wPhaseIdx = 0; // index of the wetting phase
+ static constexpr int nPhaseIdx = 1; // index of the non-wetting phase
+ static constexpr int sPhaseIdx = 2; // Index of the solid phase
+
+ // export 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 = wPhaseIdx;
+ static const int nCompIdx = nPhaseIdx;
+
+ /*!
+ * \brief Return the human readable name of a fluid phase
+ *
+ * \param phaseIdx The index of the fluid phase to consider
+ */
+ static const char *phaseName(int phaseIdx)
+ {
+ static const char *name[] = {
+ "w",
+ "n",
+ "s"
+ };
+
+ assert(0 <= phaseIdx && phaseIdx < numPhases);
+ return name[phaseIdx];
+ }
+
+ /*!
+ * \brief Return whether a phase is liquid
+ *
+ * \param phaseIdx The index of the fluid phase to consider
+ */
+ static bool isLiquid(int phaseIdx)
+ {
+ assert(0 <= phaseIdx && phaseIdx < numPhases);
+ return phaseIdx != nPhaseIdx;
+ }
+
+ /*!
+ * \brief Returns true if and only if a fluid phase is assumed to
+ * be an ideal mixture.
+ *
+ * We define an ideal mixture as a fluid phase where the fugacity
+ * coefficients of all components times the pressure of the phase
+ * are indepent on the fluid composition. This assumtion is true
+ * if Henry's law and Rault's law apply. If you are unsure what
+ * this function should return, it is safe to return false. The
+ * only damage done will be (slightly) increased computation times
+ * in some cases.
+ *
+ * \param phaseIdx The index of the fluid phase to consider
+ */
+ static bool isIdealMixture(int phaseIdx)
+ {
+ assert(0 <= phaseIdx && phaseIdx < numPhases);
+ // we assume Henry's and Rault's laws for the water phase and
+ // and no interaction between gas molecules of different
+ // components, so all phases are ideal mixtures!
+ return true;
+ }
+
+ /*!
+ * \brief Returns true if and only if a fluid phase is assumed to
+ * be compressible.
+ *
+ * Compressible means that the partial derivative of the density
+ * to the fluid pressure is always larger than zero.
+ *
+ * \param phaseIdx The index of the fluid phase to consider
+ */
+ static bool isCompressible(int phaseIdx)
+ {
+ assert(0 <= phaseIdx && phaseIdx < numPhases);
+ // gases are always compressible
+ if (phaseIdx == nPhaseIdx)
+ return true;
+ // the water component decides for the liquid phase...
+ return H2O::liquidIsCompressible();
+ }
+
+ /*!
+ * \brief Returns true if and only if a fluid phase is assumed to
+ * be an ideal gas.
+ *
+ * \param phaseIdx The index of the fluid phase to consider
+ */
+ static bool isIdealGas(int phaseIdx)
+ {
+ assert(0 <= phaseIdx && phaseIdx < numPhases);
+
+ if (phaseIdx == nPhaseIdx)
+ // let the components decide
+ return H2O::gasIsIdeal() && N2::gasIsIdeal();
+ return false; // not a gas
+ }
+
+ /****************************************
+ * Component related static parameters
+ ****************************************/
+
+ //! Number of components in the fluid system
+ static constexpr int numComponents = 2;
+
+ static constexpr int H2OIdx = 0;
+ static constexpr int N2Idx = 1;
+
+ //! The components for pure water
+ typedef SimpleH2O H2O;
+
+ //! The components for pure nitrogen
+ typedef SimpleN2 N2;
+
+ /*!
+ * \brief Return the human readable name of a component
+ *
+ * \param compIdx The index of the component to consider
+ */
+ static const char *componentName(int compIdx)
+ {
+ static const char *name[] = {
+ H2O::name(),
+ N2::name()
+ };
+
+ assert(0 <= compIdx && compIdx < numComponents);
+ return name[compIdx];
+ }
+
+ /*!
+ * \brief Return the molar mass of a component in [kg/mol].
+ *
+ * \param compIdx The index of the component to consider
+ */
+ static Scalar molarMass(int compIdx)
+ {
+ static const Scalar M[] = {
+ H2O::molarMass(),
+ N2::molarMass(),
+ };
+
+ assert(0 <= compIdx && compIdx < numComponents);
+ return M[compIdx];
+ }
+
+ /*!
+ * \brief Critical temperature of a component [K].
+ *
+ * \param compIdx The index of the component to consider
+ */
+ static Scalar criticalTemperature(int compIdx)
+ {
+ static const Scalar Tcrit[] = {
+ H2O::criticalTemperature(), // H2O
+ N2::criticalTemperature() // N2
+ };
+
+ assert(0 <= compIdx && compIdx < numComponents);
+ return Tcrit[compIdx];
+ }
+
+ /*!
+ * \brief Critical pressure of a component [Pa].
+ *
+ * \param compIdx The index of the component to consider
+ */
+ static Scalar criticalPressure(int compIdx)
+ {
+ static const Scalar pcrit[] = {
+ H2O::criticalPressure(),
+ N2::criticalPressure()
+ };
+
+ assert(0 <= compIdx && compIdx < numComponents);
+ return pcrit[compIdx];
+ }
+
+ /*!
+ * \brief Molar volume of a component at the critical point [m^3/mol].
+ *
+ * \param compIdx The index of the component to consider
+ */
+ static Scalar criticalMolarVolume(int compIdx)
+ {
+ DUNE_THROW(Dune::NotImplemented,
+ "H2ON2FluidSystem::criticalMolarVolume()");
+ return 0;
+ }
+
+ /*!
+ * \brief The acentric factor of a component [].
+ *
+ * \param compIdx The index of the component to consider
+ */
+ static Scalar acentricFactor(int compIdx)
+ {
+ static const Scalar accFac[] = {
+ H2O::acentricFactor(), // H2O (from Reid, et al.)
+ N2::acentricFactor()
+ };
+
+ assert(0 <= compIdx && compIdx < numComponents);
+ return accFac[compIdx];
+ }
+
+ /****************************************
+ * thermodynamic relations
+ ****************************************/
+
+ /*!
+ * \brief Initialize the fluid system's static parameters generically
+ *
+ * If a tabulated H2O component is used, we do our best to create
+ * tables that always work.
+ */
+ static void init()
+ {
+ init(/*tempMin=*/273.15,
+ /*tempMax=*/623.15,
+ /*numTemp=*/100,
+ /*pMin=*/0.0,
+ /*pMax=*/20e6,
+ /*numP=*/200);
+ }
+
+ /*!
+ * \brief Initialize the fluid system's static parameters using
+ * problem specific temperature and pressure ranges
+ *
+ * \param tempMin The minimum temperature used for tabulation of water [K]
+ * \param tempMax The maximum temperature used for tabulation of water [K]
+ * \param nTemp The number of ticks on the temperature axis of the table of water
+ * \param pressMin The minimum pressure used for tabulation of water [Pa]
+ * \param pressMax The maximum pressure used for tabulation of water [Pa]
+ * \param nPress The number of ticks on the pressure axis of the table of water
+ */
+ static void init(Scalar tempMin, Scalar tempMax, unsigned nTemp,
+ Scalar pressMin, Scalar pressMax, unsigned nPress)
+ {
+ std::cout << "Using very simple pure water fluid system\n";
+ }
+
+ /*!
+ * \brief Calculate the density [kg/m^3] of a fluid phase
+ *
+ * \param fluidState An arbitrary fluid state
+ * \param phaseIdx The index of the fluid phase to consider
+ */
+ using Base::density;
+ template <class FluidState>
+ static Scalar density(const FluidState &fluidState,
+ int phaseIdx)
+ {
+ assert(0 <= phaseIdx && phaseIdx < numPhases);
+
+ // liquid phase
+ if (phaseIdx == wPhaseIdx) {
+ return 1044.0 ;
+ }
+ else if (phaseIdx == nPhaseIdx)// gas phase
+ {
+ return
+ 1.679 ;
+ }
+ else DUNE_THROW(Dune::NotImplemented,
+ "wrong index");
+ }
+
+ /*!
+ * \brief Calculate the dynamic viscosity of a fluid phase [Pa*s]
+ *
+ * \param fluidState An arbitrary fluid state
+ * \param phaseIdx The index of the fluid phase to consider
+ */
+ using Base::viscosity;
+ template <class FluidState>
+ static Scalar viscosity(const FluidState &fluidState,
+ int phaseIdx)
+ {
+ assert(0 <= phaseIdx && phaseIdx < numPhases);
+
+ // liquid phase
+ if (phaseIdx == wPhaseIdx) {
+ return 2.694e-7 * density(fluidState, phaseIdx) ;
+ }
+ else if (phaseIdx == nPhaseIdx) // gas phase
+ {
+ return 7.16e-6 * density(fluidState, phaseIdx) ;
+ }
+ else DUNE_THROW(Dune::NotImplemented,
+ "wrong index");
+ }
+
+ /*!
+ * \brief calculate the temperature of vapor at a given pressure on the vapor pressure curve.
+ *
+ * \param fluidState An arbitrary fluid state
+ * \param phaseIdx The index of the fluid phase to consider
+ */
+ template <class FluidState>
+ static Scalar vaporTemperature(const FluidState &fluidState,
+ const unsigned int phaseIdx)
+ {
+ assert(0 <= phaseIdx && phaseIdx < numPhases);
+ Scalar pressure = fluidState.pressure(nPhaseIdx) ;
+
+ return IAPWS::Region4<Scalar>::vaporTemperature( pressure ) ;
+ }
+
+ /*!
+ * \brief Calculate the fugacity coefficient [Pa] of an individual
+ * component in a fluid phase
+ *
+ * The fugacity coefficient \f$\phi^\kappa_\alpha\f$ of
+ * component \f$\kappa\f$ in phase \f$\alpha\f$ is connected to
+ * the fugacity \f$f^\kappa_\alpha\f$ and the component's mole
+ * fraction \f$x^\kappa_\alpha\f$ by means of the relation
+ *
+ * \f[
+ f^\kappa_\alpha = \phi^\kappa_\alpha\;x^\kappa_\alpha\;p_\alpha
+ \f]
+ * where \f$p_\alpha\f$ is the pressure of the fluid phase.
+ *
+ * The quantity "fugacity" itself is just an other way to express
+ * the chemical potential \f$\zeta^\kappa_\alpha\f$ of the
+ * component. It is defined via
+ *
+ * \f[
+ f^\kappa_\alpha := \exp\left\{\frac{\zeta^\kappa_\alpha}{k_B T_\alpha} \right\}
+ \f]
+ * where \f$k_B = 1.380\cdot10^{-23}\;J/K\f$ is the Boltzmann constant.
+ *
+ * \param fluidState An arbitrary fluid state
+ * \param phaseIdx The index of the fluid phase to consider
+ * \param compIdx The index of the component to consider
+ */
+ using Base::fugacityCoefficient;
+ template <class FluidState>
+ static Scalar fugacityCoefficient(const FluidState &fluidState,
+ int phaseIdx,
+ int compIdx)
+ {
+ assert(0 <= phaseIdx && phaseIdx < numPhases);
+ assert(0 <= compIdx && compIdx < numComponents);
+
+ Scalar T = fluidState.temperature(phaseIdx);
+ Scalar p = fluidState.pressure(phaseIdx);
+
+ // liquid phase
+ if (phaseIdx == wPhaseIdx) {
+ if (compIdx == H2OIdx)
+ return H2O::vaporPressure(T)/p;
+ return Dumux::BinaryCoeff::H2O_N2::henry(T)/p;
+ }
+
+ // for the gas phase, assume an ideal gas when it comes to
+ // fugacity (-> fugacity == partial pressure)
+ return 1.0;
+ }
+
+
+ /*!
+ * \brief Calculate the molecular diffusion coefficient for a
+ * component in a fluid phase [mol^2 * s / (kg*m^3)]
+ *
+ * \param fluidState An arbitrary fluid state
+ * \param phaseIdx The index of the fluid phase to consider
+ * \param compIdx The index of the component to consider
+ */
+ using Base::diffusionCoefficient;
+ template <class FluidState>
+ static Scalar diffusionCoefficient(const FluidState &fluidState,
+ int phaseIdx,
+ int compIdx)
+ {
+ // TODO!
+ DUNE_THROW(Dune::NotImplemented, "Diffusion coefficients");
+ }
+
+ /*!
+ * \brief Given a phase's composition, temperature and pressure,
+ * return the binary diffusion coefficient for components
+ * \f$i\f$ and \f$j\f$ in this phase.
+ *
+ * \param fluidState An arbitrary fluid state
+ * \param phaseIdx The index of the fluid phase to consider
+ * \param compIIdx The index of the first component to consider
+ * \param compJIdx The index of the second component to consider
+ */
+ using Base::binaryDiffusionCoefficient;
+ template <class FluidState>
+ static Scalar binaryDiffusionCoefficient(const FluidState &fluidState,
+ int phaseIdx,
+ int compIIdx,
+ int compJIdx)
+
+ {
+ DUNE_THROW(Dune::NotImplemented, "Binary Diffusion coefficients");
+ }
+
+ /*!
+ * \brief Calculate specific enthalpy [J/kg].
+ *
+ * \param fluidState An arbitrary fluid state
+ * \param phaseIdx The index of the fluid phase to consider
+ */
+ using Base::enthalpy;
+ template <class FluidState>
+ static Scalar enthalpy(const FluidState &fluidState,
+ int phaseIdx)
+ {
+ assert(0 <= phaseIdx && phaseIdx < numPhases);
+ Scalar temperature = fluidState.temperature(phaseIdx);
+
+ const Scalar cp = heatCapacity(fluidState, phaseIdx) ;
+
+ // liquid phase
+ if (phaseIdx == wPhaseIdx) {
+ return cp * (temperature - 373.15);
+ }
+ else if (phaseIdx == nPhaseIdx) // gas phase
+ {
+ return cp * (temperature - 373.15) + 2.257e6;
+ }
+ else DUNE_THROW(Dune::NotImplemented,
+ "wrong index");
+ }
+
+ /*!
+ * \brief Thermal conductivity of a fluid phase [W/(m K)].
+ *
+ * Use the conductivity of vapor and liquid water at 100°C
+ *
+ * \param fluidState An arbitrary fluid state
+ * \param phaseIdx The index of the fluid phase to consider
+ */
+ using Base::thermalConductivity;
+ template <class FluidState>
+ static Scalar thermalConductivity(const FluidState &fluidState,
+ const int phaseIdx)
+ {
+ assert(0 <= phaseIdx && phaseIdx < numPhases);
+ // liquid phase
+ if (phaseIdx == wPhaseIdx) {
+ return 0.68 ;
+ }
+ else if (phaseIdx == nPhaseIdx) // gas phase
+ {
+ return 0.0248;
+ }
+ else DUNE_THROW(Dune::NotImplemented,
+ "wrong index");
+ }
+
+ /*!
+ * \brief Specific isobaric heat capacity of a fluid phase.
+ * \f$\mathrm{[J/kg / K]}\f$.
+ *
+ * \param fluidState An arbitrary fluid state
+ * \param phaseIdx The index of the fluid phase to consider
+ */
+ using Base::heatCapacity;
+ template <class FluidState>
+ static Scalar heatCapacity(const FluidState &fluidState,
+ int phaseIdx)
+ {
+ assert(0 <= phaseIdx && phaseIdx < numPhases);
+ // liquid phase
+ if (phaseIdx == wPhaseIdx) {
+ return 4.217e3 ;
+ }
+ else if (phaseIdx == nPhaseIdx) // gas phase
+ {
+ return 2.029e3;
+ }
+ else DUNE_THROW(Dune::NotImplemented,
+ "wrong index");
+ }
+};
+
+} // end namespace FluidSystems
+
+#ifdef DUMUX_PROPERTIES_HH
+/*!
+ * \brief A twophase fluid system with water and nitrogen as components.
+ *
+ * This is an adapter to use Dumux::H2ON2FluidSystem<TypeTag>, as is
+ * done with most other classes in Dumux.
+ */
+template<class TypeTag>
+class PureWaterSimpleFluidSystem
+: public FluidSystems::PureWaterSimpleFluidSystem<typename GET_PROP_TYPE(TypeTag, Scalar),
+ GET_PROP_VALUE(TypeTag, EnableComplicatedFluidSystem)>
+{};
+#endif
+
+} // end namespace
+
+#endif
diff --git a/test/implicit/mpnc/CMakeLists.txt b/test/implicit/mpnc/CMakeLists.txt
index f89c5cf21b..76a23e7c1b 100644
--- a/test/implicit/mpnc/CMakeLists.txt
+++ b/test/implicit/mpnc/CMakeLists.txt
@@ -40,6 +40,7 @@ add_dumux_test(test_forchheimer2p test_forchheimer2p test_forchheimer2p.cc
-ParameterFile ${CMAKE_CURRENT_SOURCE_DIR}/test_forchheimer2p.input
-Grid.File ${CMAKE_CURRENT_SOURCE_DIR}/grids/obstacle_24x16.dgf)
+# build target for the full kinetic test problem
add_dumux_test(test_boxmpnckinetic test_boxmpnckinetic test_boxmpnckinetic.cc
${CMAKE_SOURCE_DIR}/bin/runTest.sh
${CMAKE_SOURCE_DIR}/bin/fuzzycomparevtu.py
@@ -49,6 +50,16 @@ add_dumux_test(test_boxmpnckinetic test_boxmpnckinetic test_boxmpnckinetic.cc
-ParameterFile ${CMAKE_CURRENT_SOURCE_DIR}/test_boxmpnckinetic.input
-Grid.File ${CMAKE_CURRENT_SOURCE_DIR}/grids/interfacedomain.dgf)
+ # build target for the energy kinetic test problem, two energy balance equations
+add_dumux_test(test_boxmpncthermalnonequil test_boxmpncthermalnonequil test_boxmpncthermalnonequil.cc
+ ${CMAKE_SOURCE_DIR}/bin/runTest.sh
+ ${CMAKE_SOURCE_DIR}/bin/fuzzycomparevtu.py
+ ${CMAKE_SOURCE_DIR}/test/references/combustion-reference.vtp
+ ${CMAKE_CURRENT_BINARY_DIR}/combustion-00078.vtp
+ ${CMAKE_CURRENT_BINARY_DIR}/test_boxmpncthermalnonequil
+ -ParameterFile ${CMAKE_CURRENT_SOURCE_DIR}/test_boxmpncthermalnonequil.input
+ -Grid.File ${CMAKE_CURRENT_SOURCE_DIR}/grids/combustionOutflowGridLinNX100LogNx100.dgf)
+
target_link_libraries(test_boxmpnckinetic ${DUNE_LIBS} ${MPI_LIBRARIES})
add_dune_alugrid_flags(test_boxmpnckinetic)
add_dune_ug_flags(test_boxmpnckinetic)
diff --git a/test/implicit/mpnc/Makefile.am b/test/implicit/mpnc/Makefile.am
index 369fce3287..30c22237bb 100644
--- a/test/implicit/mpnc/Makefile.am
+++ b/test/implicit/mpnc/Makefile.am
@@ -1,4 +1,4 @@
-check_PROGRAMS = test_boxmpnc test_ccmpnc test_forchheimer2p test_forchheimer1p test_boxmpnckinetic
+check_PROGRAMS = test_boxmpnc test_ccmpnc test_forchheimer2p test_forchheimer1p test_boxmpnckinetic test_boxmpncthermalnonequil
noinst_HEADERS = *.hh
EXTRA_DIST= *.input CMakeLists.txt grids/*.dgf
@@ -10,6 +10,7 @@ test_ccmpnc_SOURCES = test_ccmpnc.cc
test_forchheimer2p_SOURCES = test_forchheimer2p.cc
test_forchheimer1p_SOURCES = test_forchheimer1p.cc
test_boxmpnckinetic_SOURCES = test_boxmpnckinetic.cc
+test_boxmpncthermalnonequil_SOURCES = test_boxmpncthermalnonequil.cc
diff --git a/test/implicit/mpnc/combustionproblem1c.hh b/test/implicit/mpnc/combustionproblem1c.hh
new file mode 100644
index 0000000000..5941635103
--- /dev/null
+++ b/test/implicit/mpnc/combustionproblem1c.hh
@@ -0,0 +1,792 @@
+/*****************************************************************************
+ * Copyright (C) 2012 by Philipp Nuske *
+ * Institute for Modelling Hydraulic and Environmental Systems *
+ * University of Stuttgart, Germany *
+ * email: <givenname>.<name>@iws.uni-stuttgart.de *
+ * *
+ * 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 CombustionProblem.hh
+ * \ingroup MpNcBoxproblems
+ *
+ * \brief Problem where hot, pure air is injected from the left hand side into a initially
+ * isotherm domain. A kinetic model is used: i.e. three different (fluid, gas, solid)
+ * temperatures are primary variables.
+ *
+ * The Problem is written, such that the kinetic consideration for mass and energy can
+ * be switched of by merely setting kinetic, kineticenergy respectivly to false.
+ * Boundary and initial conditions are specified for all cases.
+ *
+ * \author Philipp Nuske
+ */
+#ifndef DUMUX_COMBUSTION_PROBLEM_ONE_COMPONENT_HH
+#define DUMUX_COMBUSTION_PROBLEM_ONE_COMPONENT_HH
+
+
+// st this to one for the Thermo-Gross Mass Transfer
+#define FUNKYMASSTRANSFER 0
+
+// this sets that the relation using pc_max is used.
+// i.e. - only parameters for awn, ans are given,
+// - the fit for ans involves the maximum value for pc, where Sw, awn are zero.
+// setting it here, because it impacts volume variables and spatialparameters
+#define USE_PCMAX 0
+
+
+
+
+#include <dune/common/parametertreeparser.hh>
+
+
+#include <dumux/implicit/common/implicitporousmediaproblem.hh>
+
+#include <dumux/implicit/mpnc/mpncmodelkinetic.hh>
+
+#include "combustionspatialparams.hh"
+
+#include <dumux/implicit/mpnc/velomodelnewtoncontroller.hh>
+
+#include <dumux/material/fluidsystems/purewatersimplefluidsystem.hh>
+
+#include <dumux/material/fluidstates/compositionalfluidstate.hh>
+
+#include <dumux/material/fluidmatrixinteractions/2p/thermalconductivitysimplefluidlumping.hh>
+
+#include <dumux/material/constraintsolvers/computefromreferencephase.hh>
+
+//#include <dumux/io/plotoverline1d.hh>
+
+
+namespace Dumux
+{
+
+template <class TypeTag>
+class CombustionProblemOneComponent;
+
+namespace Properties
+{
+NEW_TYPE_TAG(CombustionProblemOneComponent,
+ INHERITS_FROM(BoxMPNCKinetic, CombustionSpatialParams));
+
+
+// Set the grid type
+SET_PROP(CombustionProblemOneComponent, Grid)
+{
+ typedef typename Dune::OneDGrid type;
+};
+
+SET_TYPE_PROP(CombustionProblemOneComponent, LinearSolver, SuperLUBackend<TypeTag>);
+
+// Set the problem property
+SET_TYPE_PROP(CombustionProblemOneComponent,
+ Problem,
+ Dumux::CombustionProblemOneComponent<TTAG(CombustionProblemOneComponent)>);
+
+// Set fluid configuration
+SET_PROP(CombustionProblemOneComponent, FluidSystem)
+{
+private: typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+public: typedef Dumux::FluidSystems::PureWaterSimpleFluidSystem<Scalar, /*useComplexRelations=*/false> type;
+};
+
+// Set the newton controller
+SET_TYPE_PROP(CombustionProblemOneComponent,
+ NewtonController,
+ Dumux::VeloModelNewtonController<TypeTag>);
+
+
+//! Set the default pressure formulation: either pw first or pn first
+SET_INT_PROP(CombustionProblemOneComponent,
+ PressureFormulation,
+ MpNcPressureFormulation::mostWettingFirst);
+
+// Set the type used for scalar values
+SET_TYPE_PROP(CombustionProblemOneComponent, Scalar, double ); // quad / double
+
+// Enable gravity
+SET_BOOL_PROP(CombustionProblemOneComponent, ProblemEnableGravity, true);
+
+// Specify whether diffusion is enabled
+SET_BOOL_PROP(CombustionProblemOneComponent, EnableDiffusion, false);
+
+// do not use smooth upwinding
+SET_BOOL_PROP(CombustionProblemOneComponent, ImplicitEnableSmoothUpwinding, false);
+
+// do not use a chopped newton method in the beginning
+SET_BOOL_PROP(CombustionProblemOneComponent, NewtonEnableChop, false);
+
+// use forward differences instead of central ones
+SET_INT_PROP(CombustionProblemOneComponent, ImplicitNumericDifferenceMethod, +1);
+
+
+// disable partial jacobian matrix reassembly
+SET_BOOL_PROP(CombustionProblemOneComponent, ImplicitEnablePartialReassemble, false);
+
+// Enable the re-use of the jacobian matrix whenever possible?
+SET_BOOL_PROP(CombustionProblemOneComponent, ImplicitEnableJacobianRecycling, true);
+
+// Specify whether the convergence rate ought to be written out by the
+// newton method
+SET_BOOL_PROP(CombustionProblemOneComponent, NewtonWriteConvergence, false);
+
+//! Franz Lindners simple lumping
+SET_PROP(CombustionProblemOneComponent, ThermalConductivityModel)
+{
+ public: typedef ThermalConductivitySimpleFluidLumping<TypeTag> type;
+};
+
+
+//#################
+// Which Code to compile
+// Specify whether there is any energy equation
+SET_BOOL_PROP(CombustionProblemOneComponent, EnableEnergy, true );
+// Specify whether the kinetic energy module is used
+SET_INT_PROP(CombustionProblemOneComponent, NumEnergyEquations, 2 );
+// Specify whether the kinetic mass module is use
+SET_BOOL_PROP(CombustionProblemOneComponent, EnableKinetic, false);
+//#################
+
+/*!
+ * \brief The fluid state which is used by the volume variables to
+ * store the thermodynamic state. This has to be chosen
+ * appropriately for the model ((non-)isothermal, equilibrium, ...).
+ */
+SET_PROP(CombustionProblemOneComponent, FluidState){
+ private: typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ private: typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+ public: typedef Dumux::CompositionalFluidState<Scalar, FluidSystem> type;
+};
+
+SET_BOOL_PROP(CombustionProblemOneComponent, UseMaxwellDiffusion, false);
+
+// Output variables
+SET_BOOL_PROP(CombustionProblemOneComponent, VtkAddVelocities, true);
+SET_BOOL_PROP(CombustionProblemOneComponent, VtkAddReynolds, true);
+SET_BOOL_PROP(CombustionProblemOneComponent, VtkAddPrandtl, true);
+SET_BOOL_PROP(CombustionProblemOneComponent, VtkAddNusselt, true);
+SET_BOOL_PROP(CombustionProblemOneComponent, VtkAddBoundaryTypes, true);
+SET_BOOL_PROP(CombustionProblemOneComponent, VtkAddInterfacialArea, true);
+SET_BOOL_PROP(CombustionProblemOneComponent, VtkAddTemperatures, true);
+SET_BOOL_PROP(CombustionProblemOneComponent, VtkAddxEquil, true);
+SET_BOOL_PROP(CombustionProblemOneComponent, VtkAddDeltaP, true);
+
+SET_BOOL_PROP(CombustionProblemOneComponent, VelocityAveragingInModel, true);
+}
+
+/*!
+ * \ingroup MpNcBoxproblems
+ *
+ * \brief Problem where the evaporation is tested.
+ */
+template <class TypeTag>
+class CombustionProblemOneComponent
+ : public ImplicitPorousMediaProblem<TypeTag>
+{
+
+ typedef CombustionProblemOneComponent<TypeTag> ThisType;
+ typedef ImplicitPorousMediaProblem<TypeTag> ParentType;
+ typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
+ typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, BoundaryTypes) BoundaryTypes;
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+ /*!
+ * \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.
+ */
+ typedef typename GET_PROP_TYPE(TypeTag, FluidState) FluidState;
+ typedef typename FluidSystem::ParameterCache ParameterCache;
+ enum { dim = GridView::dimension}; // Grid and world dimension
+ enum { dimWorld = GridView::dimensionworld};
+ enum { numPhases = GET_PROP_VALUE(TypeTag, NumPhases)};
+ enum { numComponents = GET_PROP_VALUE(TypeTag, NumComponents)};
+ enum { s0EqIdx = Indices::s0Idx};
+ enum { p0EqIdx = Indices::p0Idx};
+ enum { conti00EqIdx = Indices::conti0EqIdx };
+ enum { temperature0Idx = Indices::temperatureIdx};
+ enum { energyEq0Idx = Indices::energyEqIdx};
+ enum { numEnergyEqs = Indices::numPrimaryEnergyVars};
+ enum { energyEqSolidIdx = energyEq0Idx + numEnergyEqs - 1};
+ enum { wPhaseIdx = FluidSystem::wPhaseIdx};
+ enum { nPhaseIdx = FluidSystem::nPhaseIdx};
+ enum { sPhaseIdx = FluidSystem::sPhaseIdx};
+ enum { wCompIdx = FluidSystem::H2OIdx};
+ enum { nCompIdx = FluidSystem::N2Idx};
+ enum { enableKinetic = GET_PROP_VALUE(TypeTag, EnableKinetic)};
+ enum { enableEnergy = GET_PROP_VALUE(TypeTag, EnableEnergy)};
+ enum { numEnergyEquations = GET_PROP_VALUE(TypeTag, NumEnergyEquations)};
+ enum { velocityOutput = GET_PROP_VALUE(TypeTag, VtkAddVelocities)};
+ enum { velocityAveragingInModel = GET_PROP_VALUE(TypeTag, VelocityAveragingInModel)};
+
+ // formulations
+ enum {
+ pressureFormulation = GET_PROP_VALUE(TypeTag, PressureFormulation),
+ mostWettingFirst = MpNcPressureFormulation::mostWettingFirst,
+ leastWettingFirst = MpNcPressureFormulation::leastWettingFirst
+ };
+
+ typedef typename GridView::template Codim<0>::Entity Element;
+ typedef typename GridView::template Codim<dim>::Entity Vertex;
+ typedef typename GridView::Intersection Intersection;
+ typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
+ typedef typename GET_PROP_TYPE(TypeTag, MaterialLawParams) MaterialLawParams;
+ typedef typename GET_PROP_TYPE(TypeTag, MaterialLaw) MaterialLaw;
+ typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, TimeManager) TimeManager;
+ typedef typename GridView::template Codim<0>::Iterator ElementIterator;
+ typedef typename GET_PROP_TYPE(TypeTag, ElementBoundaryTypes) ElementBoundaryTypes;
+ typedef typename GET_PROP_TYPE(TypeTag, FluxVariables) FluxVariables;
+
+ typedef Dune::FieldVector<typename GridView::Grid::ctype, dim> DimVector;
+ typedef Dune::FieldVector<typename GridView::Grid::ctype, dimWorld> GlobalPosition;
+
+ typedef std::vector<Dune::FieldVector<Scalar, 1> > ScalarBuffer;
+ typedef std::array<ScalarBuffer, numPhases> PhaseBuffer;
+ typedef Dune::FieldVector<Scalar, dim> VelocityVector;
+ typedef Dune::BlockVector<VelocityVector> VelocityField;
+ typedef std::array<VelocityField, numPhases> PhaseVelocityField;
+
+public:
+ CombustionProblemOneComponent(TimeManager &timeManager,
+ const GridView &gridView)
+ : ParentType(timeManager, gridView)
+ {
+ }
+
+ void init()
+ {
+ try
+ {
+ eps_ = 1e-6;
+ outputName_ = GET_RUNTIME_PARAM(TypeTag, std::string, Constants.outputName);
+ nRestart_ = GET_RUNTIME_PARAM(TypeTag, int, Constants.nRestart);
+ TInitial_ = GET_RUNTIME_PARAM(TypeTag, Scalar, InitialConditions.TInitial);
+ TRight_ = GET_RUNTIME_PARAM(TypeTag, Scalar, InitialConditions.TRight);
+ pnInitial_ = GET_RUNTIME_PARAM(TypeTag, Scalar,InitialConditions.pnInitial);
+ TBoundary_ = GET_RUNTIME_PARAM(TypeTag, Scalar,BoundaryConditions.TBoundary);
+ SwBoundary_ = GET_RUNTIME_PARAM(TypeTag, Scalar,BoundaryConditions.SwBoundary);
+ SwOneComponentSys_ = GET_RUNTIME_PARAM(TypeTag, Scalar,BoundaryConditions.SwOneComponentSys);
+ massFluxInjectedPhase_ = GET_RUNTIME_PARAM(TypeTag, Scalar,BoundaryConditions.massFluxInjectedPhase);
+ heatFluxFromRight_ = GET_RUNTIME_PARAM(TypeTag, Scalar,BoundaryConditions.heatFluxFromRight);
+ coldTime_ = GET_RUNTIME_PARAM(TypeTag, Scalar,BoundaryConditions.coldTime);
+ }
+
+ catch (Dumux::ParameterException &e) {
+ std::cerr << e << ". Abort!\n";
+ exit(1) ;
+ }
+ catch (...) {
+ std::cerr << "Unknown exception thrown!\n";
+ exit(1);
+ }
+
+ this->spatialParams().setInputInitialize();
+
+ ParentType::init();
+ this->model().initVelocityStuff();
+ }
+
+
+ /*!
+ * \brief Returns the temperature \f$\mathrm{[K]}\f$ for an isothermal problem.
+ *
+ * This is not specific to the discretization.
+ */
+ Scalar temperature() const
+ { return TInitial_; };
+
+ /*!
+ * \name Problem Params
+ */
+ // \{
+
+ /*!
+ * \brief The problem name.
+ *
+ * This is used as a prefix for files generated by the simulation.
+ */
+ const std::string name() const
+ { return outputName_ ; }
+
+ /*!
+ * \brief Returns the temperature within the domain.
+ */
+ Scalar boxTemperature(const Element &element,
+ const FVElementGeometry &fvGeometry,
+ const unsigned int scvIdx) const
+ { return TInitial_; };
+
+ // \}
+
+ /*!
+ * \brief Called directly after the time integration.
+ */
+ void postTimeStep()
+ {
+// if(this->timeManager().willBeFinished()){
+// // write plot over Line to text files
+// // each output gets it's writer object in order to allow for different header files
+// PlotOverLine1D<TypeTag> writer;
+//
+// // writer points: in the porous medium, not the outflow
+// GlobalPosition pointOne ;
+// GlobalPosition pointTwo ;
+//
+// pointOne[0] = this->bBoxMin()[0] ;
+// pointTwo[0] = (this->spatialParams().lengthPM()) ;
+//
+// writer.write(*this,
+// pointOne,
+// pointTwo,
+// "plotOverLine");
+// }
+
+
+ // Calculate storage terms of the individual phases
+ for (int phaseIdx = 0; phaseIdx < numEnergyEqs; ++phaseIdx) {
+ PrimaryVariables phaseStorage;
+ /* wieviel Erhaltungsgröße im System ist (in Einheit der Bilanzgleichung)
+ * Aufssummierte Storage term für das ganze System.
+ */
+ this->model().globalPhaseStorage(phaseStorage, phaseIdx);
+
+ if (this->gridView().comm().rank() == 0) {
+ std::cout
+ <<"Storage in "
+ << FluidSystem::phaseName(phaseIdx)
+ << "Phase: ["
+ << phaseStorage
+ << "]"
+ << "\n";
+ }
+ }
+
+ // Calculate total storage terms
+ PrimaryVariables storage;
+ this->model().globalStorage(storage);
+
+ // Write mass balance information for rank 0
+ if (this->gridView().comm().rank() == 0) {
+ std::cout
+ <<"Storage total: [" << storage << "]"
+ << "\n";
+ }
+ }
+
+ /*!
+ * \brief Write a restart file?
+ *yes of course:
+ * - every nRestart_'th steps
+ */
+ bool shouldWriteRestartFile() const
+ {
+ return this->timeManager().timeStepIndex() > 0 and
+ (this->timeManager().timeStepIndex() % nRestart_ == 0);
+ }
+
+ /*!
+ * \brief Write a output file?
+ */
+ bool shouldWriteOutput() const
+ { return true; }
+
+
+ /*!
+ * \brief Evaluate the source term for all phases within a given
+ * sub-control-volume.
+ *
+ * For this method, the \a values parameter stores the rate mass
+ * of a component is generated or annihilate per volume
+ * unit. Positive values mean that mass is created, negative ones
+ * mean that it vanishes.
+ */
+ void source(PrimaryVariables & priVars,
+ const Element & element,
+ const FVElementGeometry & fvGeometry,
+ const unsigned int scvIdx) const
+ {
+ priVars = Scalar(0.0);
+ const GlobalPosition & globalPos = fvGeometry.subContVol[scvIdx].global;
+
+ const Scalar volume = fvGeometry.subContVol[scvIdx].volume ;
+ const unsigned int numScv = fvGeometry.numScv; // box: numSCV, cc:1
+
+ if ((this->timeManager().time()) > coldTime_ )
+ {
+ if (onRightBoundaryPorousMedium_(globalPos))
+ {
+ if(numEnergyEquations>1) // for 2 and 3 energy equations
+ {
+ if(numEnergyEquations==2){
+ // Testing the location of a vertex, but function is called for each associated scv. Compensate for that
+ priVars[energyEqSolidIdx] = heatFluxFromRight_ / volume / (Scalar)numScv;
+ }
+ else
+ // Multiply by volume, because afterwards we divide by it -> make independet of grid resolution
+ priVars[energyEq0Idx + sPhaseIdx] = heatFluxFromRight_ / volume / (Scalar)numScv ;
+ }
+ else if (enableEnergy){
+ // Multiply by volume, because afterwards we divide by it -> make independet of grid resolution
+ priVars[energyEq0Idx] = heatFluxFromRight_ / volume / (Scalar)numScv;
+ }
+ }
+ }
+ }
+
+ /*!
+ * \brief Specifies which kind of boundary condition should be
+ * used for which equation on a given boundary segment.
+ *
+ * \param values The bounentraldary types for the conservation equations
+ * \param vertex The vertex for which the boundary type is set
+ */
+ void boundaryTypes(BoundaryTypes & bTypes, const Vertex &vertex) const
+ {
+ const GlobalPosition & globalPos = vertex.geometry().center();
+
+ // Default: Neumann
+ bTypes.setAllNeumann();
+
+ if(onRightBoundary_(globalPos) ){
+ bTypes.setAllDirichlet();
+ }
+ }
+
+ /*!
+ * \brief Evaluate the boundary conditions for a dirichlet
+ * boundary segment.
+ *
+ * \param values The dirichlet values for the primary variables
+ * \param vertex The vertex for which the boundary type is set
+ *
+ * For this method, the \a values parameter stores primary variables.
+ */
+ void dirichlet(PrimaryVariables &priVars, const Vertex &vertex) const
+ {
+ const GlobalPosition globalPos = vertex.geometry().center();
+ initial_(priVars, globalPos);
+ }
+
+ /*!
+ * \brief Evaluate the boundary conditions for a neumann
+ * boundary segment.
+ *
+ * For this method, the \a values parameter stores the mass flux
+ * in normal direction of each component. Negative values mean
+ * influx.
+ */
+
+ void solDependentNeumann(PrimaryVariables &priVars,
+ const Element &element,
+ const FVElementGeometry &fvGeometry,
+ const Intersection &intersection,
+ const int scvIdx,
+ const int boundaryFaceIdx,
+ const ElementVolumeVariables &elemVolVars) const{
+
+ const GlobalPosition & globalPos = fvGeometry.subContVol[scvIdx].global ;
+ const Scalar massFluxInjectedPhase = massFluxInjectedPhase_ ;
+
+ FluidState fluidState;
+
+ const Scalar pn = elemVolVars[scvIdx].fluidState().pressure(nPhaseIdx);
+ const Scalar pw = elemVolVars[scvIdx].fluidState().pressure(wPhaseIdx);
+
+ const Scalar Tn = elemVolVars[scvIdx].fluidState().temperature(nPhaseIdx);
+ const Scalar Tw = elemVolVars[scvIdx].fluidState().temperature(wPhaseIdx);
+
+ fluidState.setPressure(nPhaseIdx, pn);
+ fluidState.setPressure(wPhaseIdx, pw);
+
+ if(numEnergyEquations == 3 ){ // only in this case the fluidstate hase several temperatures
+ fluidState.setTemperature(nPhaseIdx, Tn );
+ fluidState.setTemperature(wPhaseIdx, Tw );
+ }
+ else
+ fluidState.setTemperature(TBoundary_ );
+
+ ParameterCache dummyCache;
+ // This solves the system of equations defining x=x(p,T)
+// FluidSystem::calculateEquilibriumMoleFractions(fluidState, dummyCache) ;
+
+ fluidState.setMoleFraction(wPhaseIdx, nCompIdx, 0.0) ;
+ fluidState.setMoleFraction(wPhaseIdx, wCompIdx, 1.0) ;
+ // compute density of injection phase
+ const Scalar density = FluidSystem::density(fluidState,
+ dummyCache,
+ wPhaseIdx);
+ fluidState.setDensity(wPhaseIdx, density);
+
+ for(int phaseIdx=0; phaseIdx<numPhases; phaseIdx++){
+ const Scalar h = FluidSystem::enthalpy(fluidState,
+ dummyCache,
+ phaseIdx);
+ fluidState.setEnthalpy(phaseIdx, h);
+ }
+
+ const Scalar molarFlux = massFluxInjectedPhase / fluidState.averageMolarMass(wPhaseIdx);
+
+ // Default Neumann noFlow
+ priVars = 0.0;
+
+ if (onLeftBoundary_(globalPos))
+ {
+ if (enableKinetic){
+ priVars[conti00EqIdx + numComponents*wPhaseIdx+wCompIdx] = - molarFlux * fluidState.moleFraction(wPhaseIdx, wCompIdx) ;
+ priVars[conti00EqIdx + numComponents*wPhaseIdx+nCompIdx] = - molarFlux * fluidState.moleFraction(wPhaseIdx, nCompIdx) ;
+ if (enableEnergy){
+ if (numEnergyEquations == 3)
+ priVars[energyEq0Idx + wPhaseIdx] = - massFluxInjectedPhase * fluidState.enthalpy(wPhaseIdx) ;
+ else if(numEnergyEquations == 2)
+ priVars[energyEq0Idx] = - massFluxInjectedPhase * fluidState.enthalpy(wPhaseIdx) ;
+ else if(numEnergyEquations == 1)
+ priVars[energyEq0Idx] = - massFluxInjectedPhase * fluidState.enthalpy(wPhaseIdx) ;
+ else DUNE_THROW(Dune::InvalidStateException, "Formulation: " << pressureFormulation << " is invalid.");
+ }
+ }
+ else {
+ priVars[conti00EqIdx + wCompIdx] = - molarFlux * fluidState.moleFraction(wPhaseIdx, wCompIdx) ; ;
+ priVars[conti00EqIdx + nCompIdx] = - molarFlux * fluidState.moleFraction(wPhaseIdx, nCompIdx) ; ;
+ if (enableEnergy){
+ if (numEnergyEquations == 3)
+ priVars[energyEq0Idx + wPhaseIdx] = - massFluxInjectedPhase * fluidState.enthalpy(wPhaseIdx) ;
+ else if(numEnergyEquations == 2)
+ priVars[energyEq0Idx] = - massFluxInjectedPhase * fluidState.enthalpy(wPhaseIdx) ;
+ else if(numEnergyEquations == 1)
+ priVars[energyEq0Idx] = - massFluxInjectedPhase * fluidState.enthalpy(wPhaseIdx) ;
+ else DUNE_THROW(Dune::InvalidStateException, "Formulation: " << pressureFormulation << " is invalid.");
+ }
+ }
+ }
+ }
+
+
+ /*!
+ * \brief Evaluate the initial value for a control volume.
+ *
+ * For this method, the \a values parameter stores primary
+ * variables.
+ */
+ void initial(PrimaryVariables &values,
+ const Element &element,
+ const FVElementGeometry &fvGeometry,
+ const unsigned int scvIdx) const
+ {
+ const GlobalPosition &globalPos = element.geometry().corner(scvIdx);
+
+ initial_(values, globalPos);
+ }
+
+private:
+ // the internal method for the initial condition
+ void initial_(PrimaryVariables &priVars,
+ const GlobalPosition &globalPos) const
+ {
+ const Scalar curPos = globalPos[0] ;
+ const Scalar slope = (SwBoundary_-SwOneComponentSys_) / (this->spatialParams().lengthPM()) ;
+ Scalar S[numPhases];
+ const Scalar thisSaturation = SwOneComponentSys_ + curPos * slope ;
+
+ S[wPhaseIdx] = SwBoundary_ ;
+ if (inPM_(globalPos) ) {
+ S[wPhaseIdx] = thisSaturation ;
+ }
+
+ S[nPhaseIdx] = 1. - S[wPhaseIdx] ;
+
+ //////////////////////////////////////
+ // Set saturation
+ //////////////////////////////////////
+ for (int i = 0; i < numPhases - 1; ++i){
+ priVars[s0EqIdx + i] = S[i];
+ }
+
+ FluidState fluidState;
+
+ Scalar thisTemperature = TInitial_ ;
+ if(onRightBoundary_(globalPos))
+ thisTemperature = TRight_ ;
+
+ for (int phaseIdx = 0; phaseIdx < numPhases ; ++phaseIdx) {
+ fluidState.setSaturation(phaseIdx, S[phaseIdx]);
+
+ if(numEnergyEquations > 2){ // only in this case the fluidstate has more than one temperature
+ fluidState.setTemperature(phaseIdx, thisTemperature );
+ }
+ else
+ fluidState.setTemperature(thisTemperature );
+ }
+
+ //////////////////////////////////////
+ // Set temperature
+ //////////////////////////////////////
+ if(enableEnergy){
+ for (int energyEqIdx=0; energyEqIdx< numEnergyEqs; ++energyEqIdx)
+ priVars[energyEq0Idx + energyEqIdx] = thisTemperature;
+ }
+
+ const MaterialLawParams &materialParams =
+ this->spatialParams().materialLawParamsAtPos(globalPos);
+ Scalar capPress[numPhases];
+
+ //obtain pc according to saturation
+ MaterialLaw::capillaryPressures(capPress, materialParams, fluidState);
+
+ Scalar p[numPhases];
+
+ p[wPhaseIdx] = pnInitial_ - std::abs(capPress[wPhaseIdx]);
+ p[nPhaseIdx] = p[wPhaseIdx] + std::abs(capPress[wPhaseIdx]);
+
+ for (int phaseIdx=0; phaseIdx<numPhases; phaseIdx++)
+ fluidState.setPressure(phaseIdx, p[phaseIdx]);
+
+ //////////////////////////////////////
+ // Set pressure
+ //////////////////////////////////////
+ if(pressureFormulation == mostWettingFirst){
+ // This means that the pressures are sorted from the most wetting to the least wetting-1 in the primary variables vector.
+ // For two phases this means that there is one pressure as primary variable: pw
+ priVars[p0EqIdx] = p[wPhaseIdx];
+ }
+ else if(pressureFormulation == leastWettingFirst){
+ // This means that the pressures are sorted from the least wetting to the most wetting-1 in the primary variables vector.
+ // For two phases this means that there is one pressure as primary variable: pn
+ priVars[p0EqIdx] = p[nPhaseIdx];
+ }
+ else DUNE_THROW(Dune::InvalidStateException, "Formulation: " << pressureFormulation << " is invalid.");
+
+ fluidState.setMoleFraction(wPhaseIdx, wCompIdx, 1.0) ;
+ fluidState.setMoleFraction(wPhaseIdx, nCompIdx, 0.0) ;
+
+ fluidState.setMoleFraction(nPhaseIdx, wCompIdx, 1.0) ;
+ fluidState.setMoleFraction(nPhaseIdx, nCompIdx, 0.0) ;
+
+ /* Difference between kinetic and MPNC:
+ * number of component related primVar and how they are calculated (mole fraction, fugacities, resp.) */
+ if(enableKinetic){
+ for(int phaseIdx=0; phaseIdx < numPhases; ++ phaseIdx){
+ for(int compIdx=0; compIdx <numComponents; ++compIdx){
+ int offset = compIdx + phaseIdx * numComponents ;
+ priVars[conti00EqIdx + offset] = fluidState.moleFraction(phaseIdx,compIdx) ;
+ }
+ }
+ }
+ else{ //enableKinetic
+ int refPhaseIdx ;
+
+ // on right boundary: reference is gas
+ refPhaseIdx = nPhaseIdx;
+
+ if(inPM_(globalPos)){
+ refPhaseIdx = wPhaseIdx;
+ }
+
+ // obtain fugacities
+ typedef Dumux::ComputeFromReferencePhase<Scalar, FluidSystem> ComputeFromReferencePhase;
+ ParameterCache paramCache;
+ ComputeFromReferencePhase::solve(fluidState,
+ paramCache,
+ refPhaseIdx,
+ /*setViscosity=*/false,
+ /*setEnthalpy=*/false);
+
+ //////////////////////////////////////
+ // Set fugacities
+ //////////////////////////////////////
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx){
+ const Scalar fug = fluidState.fugacity(refPhaseIdx) ;
+ priVars[conti00EqIdx + compIdx] = fluidState.fugacity(refPhaseIdx,compIdx);
+ }
+ } // end not enableKinetic
+ }
+
+ /*!
+ * \brief Give back whether the tested position (input) is a specific region (left) in the domain
+ */
+ bool onLeftBoundary_(const GlobalPosition & globalPos) const
+ { return globalPos[0] < this->bBoxMin()[0] + eps_; }
+
+ /*!
+ * \brief Give back whether the tested position (input) is a specific region (right) in the domain
+ */
+ bool onRightBoundary_(const GlobalPosition & globalPos) const
+ { return globalPos[0] > this->bBoxMax()[0] - eps_; }
+
+ /*!
+ * \brief Give back whether the tested position (input) is a specific region (right) in the domain
+ * \todo this needs to be more sophisticated in order to allow for meshes with nodes not directly on the boundary
+ */
+ bool onRightBoundaryPorousMedium_(const GlobalPosition & globalPos) const
+ { return ( std::fabs(globalPos[0] - (this->spatialParams().lengthPM())) < eps_ ); }
+
+ /*!
+ * \brief Give back whether the tested position (input) is a specific region (right) in the domain
+ */
+ bool inPM_(const GlobalPosition & globalPos) const
+ { return
+ not this->spatialParams().inOutFlow(globalPos) ;
+ }
+
+ /*!
+ * \brief Give back whether the tested position (input) is a specific region (down, (gravityDir)) in the domain
+ */
+ bool onLowerBoundary_(const GlobalPosition & globalPos) const
+ { return globalPos[dim-1] < this->bBoxMin()[dim-1] + eps_; }
+
+ /*!
+ * \brief Give back whether the tested position (input) is a specific region (up, (gravityDir)) in the domain
+ */
+ bool onUpperBoundary_(const GlobalPosition & globalPos) const
+ { return globalPos[dim-1] > this->bBoxMax()[dim-1] - eps_; }
+
+private:
+ Scalar eps_;
+ int nTemperature_;
+ int nPressure_;
+ std::string outputName_;
+ int nRestart_ ;
+ Scalar TInitial_ ;
+ Scalar TRight_ ;
+
+ Scalar pnInitial_;
+
+ Dune::ParameterTree inputParameters_;
+ Scalar x_[numPhases][numComponents] ;
+
+ Scalar TBoundary_;
+ Scalar SwBoundary_;
+ Scalar SwOneComponentSys_;
+
+ Scalar massFluxInjectedPhase_ ;
+ Scalar heatFluxFromRight_ ;
+ PhaseVelocityField volumeDarcyVelocity_;
+ PhaseBuffer volumeDarcyMagVelocity_ ;
+ ScalarBuffer boxSurface_;
+ Scalar lengthPM_ ;
+ Scalar coldTime_ ;
+
+public:
+
+ Dune::ParameterTree getInputParameters() const
+ { return inputParameters_; }
+};
+
+} //end namespace
+
+#endif
diff --git a/test/implicit/mpnc/combustionspatialparams.hh b/test/implicit/mpnc/combustionspatialparams.hh
new file mode 100644
index 0000000000..823a893b45
--- /dev/null
+++ b/test/implicit/mpnc/combustionspatialparams.hh
@@ -0,0 +1,372 @@
+/*****************************************************************************
+ * Institute for Modelling Hydraulic and Environmental Systems *
+ * University of Stuttgart, Germany *
+ * email: <givenname>.<name>@iws.uni-stuttgart.de *
+ * *
+ * 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_COMBUSTION_SPATIALPARAMS_HH
+#define DUMUX_COMBUSTION_SPATIALPARAMS_HH
+
+#include <dumux/material/spatialparams/implicitspatialparams.hh>
+
+#include <dumux/material/fluidmatrixinteractions/2p/efftoabslaw.hh>
+
+#include <dumux/material/fluidmatrixinteractions/mp/2padapter.hh>
+#include <dumux/material/fluidmatrixinteractions/2p/linearmaterial.hh>
+
+#include <dune/common/parametertreeparser.hh>
+#include <dumux/material/fluidmatrixinteractions/2p/heatpipelaw.hh>
+
+namespace Dumux
+{
+
+//forward declaration
+template<class TypeTag>
+class CombustionSpatialParams;
+
+namespace Properties
+{
+// The spatial params TypeTag
+NEW_TYPE_TAG(CombustionSpatialParams);
+
+// Set the spatial parameters
+SET_TYPE_PROP(CombustionSpatialParams, SpatialParams, Dumux::CombustionSpatialParams<TypeTag>);
+
+// Set the material Law
+SET_PROP(CombustionSpatialParams, MaterialLaw)
+{
+private:
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+ enum {wPhaseIdx = FluidSystem::wPhaseIdx};
+
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+
+// actually other people call this Leverett
+ typedef HeatPipeLaw<Scalar> EffectiveLaw;
+
+ typedef EffToAbsLaw<EffectiveLaw> TwoPMaterialLaw;
+ public:
+ typedef TwoPAdapter<wPhaseIdx, TwoPMaterialLaw> type;
+};
+
+
+}// end namespace properties
+
+/**
+ * \brief Definition of the soil properties for the kinetic Energy problem
+ *
+ */
+template<class TypeTag>
+class CombustionSpatialParams : public ImplicitSpatialParams<TypeTag>
+{
+ typedef ImplicitSpatialParams<TypeTag> ParentType;
+ typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+
+ enum {dim=GridView::dimension };
+ enum {dimWorld=GridView::dimensionworld};
+ enum {wPhaseIdx = FluidSystem::wPhaseIdx};
+ enum {nPhaseIdx = FluidSystem::nPhaseIdx};
+ enum {sPhaseIdx = FluidSystem::sPhaseIdx};
+ enum {numEnergyEquations = GET_PROP_VALUE(TypeTag, NumEnergyEquations)};
+ enum {numPhases = GET_PROP_VALUE(TypeTag, NumPhases)};
+ enum {enableEnergy = GET_PROP_VALUE(TypeTag, EnableEnergy)};
+
+ typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, FluxVariables) FluxVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, SolutionVector) SolutionVector;
+ typedef typename GET_PROP_TYPE(TypeTag, FVElementGeometry) FVElementGeometry;
+ typedef typename GridView::template Codim<0>::Entity Element;
+ typedef Dune::FieldVector<Scalar,dimWorld> GlobalPosition;
+ typedef Dune::FieldVector<Scalar,dimWorld> DimVector;
+ typedef typename GET_PROP_TYPE(TypeTag, FluidState) FluidState;
+
+public:
+ typedef typename GET_PROP_TYPE(TypeTag, MaterialLaw) MaterialLaw;
+ typedef typename MaterialLaw::Params MaterialLawParams;
+
+ CombustionSpatialParams(const GridView &gv)
+ : ParentType(gv)
+ {
+ }
+
+ ~CombustionSpatialParams()
+ {}
+
+ //! load parameters from input file and initialize parameter values
+ void setInputInitialize()
+ {
+ try
+ {
+ eps_ = 1e-6;
+ // BEWARE! First the input values have to be set, than the material parameters can be set
+
+ // this is the parameter value from file part
+ porosity_ = GET_RUNTIME_PARAM(TypeTag, Scalar, SpatialParams.PorousMedium.porosity);
+
+ intrinsicPermeabilityOutFlow_ = GET_RUNTIME_PARAM(TypeTag, Scalar, SpatialParams.OutFlow.permeabilityOutFlow);
+ porosityOutFlow_ = GET_RUNTIME_PARAM(TypeTag, Scalar, SpatialParams.OutFlow.porosityOutFlow);
+ thermalConductivitySolidOutflow_ = GET_RUNTIME_PARAM(TypeTag, Scalar, SpatialParams.OutFlow.soilThermalConductivityOutFlow);
+
+ densitySolid_ = GET_RUNTIME_PARAM(TypeTag, Scalar, SpatialParams.soil.density);
+ thermalConductivitySolid_ = GET_RUNTIME_PARAM(TypeTag, Scalar, SpatialParams.soil.soilThermalConductivity);
+ heatCapacity_ = GET_RUNTIME_PARAM(TypeTag, Scalar, SpatialParams.soil.heatCapacity);
+
+ interfacialTension_ = GET_RUNTIME_PARAM(TypeTag, Scalar, Constants.interfacialTension);
+
+ Swr_ = GET_RUNTIME_PARAM(TypeTag, Scalar, SpatialParams.soil.Swr);
+ Snr_ = GET_RUNTIME_PARAM(TypeTag, Scalar, SpatialParams.soil.Snr);
+
+ characteristicLength_ = GET_RUNTIME_PARAM(TypeTag, Scalar, SpatialParams.PorousMedium.meanPoreSize);
+ intrinsicPermeability_ = (std::pow(characteristicLength_,2.0) * std::pow(porosity_,3.0)) / (150.0 * std::pow((1.0-porosity_),2.0));
+
+ factorEnergyTransfer_ = GET_RUNTIME_PARAM(TypeTag, Scalar, SpatialParams.PorousMedium.factorEnergyTransfer);
+ factorMassTransfer_ = GET_RUNTIME_PARAM(TypeTag, Scalar, SpatialParams.PorousMedium.factorMassTransfer);
+
+ lengthPM_ = GET_RUNTIME_PARAM(TypeTag, Scalar,Grid.lengthPM);
+ }
+ catch (Dumux::ParameterException &e) {
+ std::cerr << e << ". Abort!\n";
+ exit(1) ;
+ }
+ catch (...) {
+ std::cerr << "Unknown exception thrown!\n";
+ exit(1);
+ }
+
+ // residual saturations
+ materialParams_.setSwr(Swr_) ;
+ materialParams_.setSnr(Snr_) ;
+
+ materialParams_.setP0(std::sqrt(porosity_/intrinsicPermeability_));
+ materialParams_.setGamma(interfacialTension_); // interfacial tension of water-air at 100°C
+ }
+
+ /*! \brief Update the spatial parameters with the flow solution
+ * after a timestep. */
+ void update(const SolutionVector & globalSolutionFn)
+ { }
+
+ /*! \brief Returns the intrinsic permeability
+ *
+ * The position is determined based on the coordinate of
+ * the vertex belonging to the considered sub control volume.
+ * \param element The current finite element
+ * \param fvGeometry The current finite volume geometry of the element
+ * \param scvIdx The index sub-control volume */
+ const Scalar intrinsicPermeability(const Element & element,
+ const FVElementGeometry & fvGeometry,
+ const unsigned int scvIdx) const
+ {
+ const GlobalPosition & globalPos = fvGeometry.subContVol[scvIdx].global ;
+ if ( inOutFlow(globalPos) )
+ return intrinsicPermeabilityOutFlow_ ;
+ else
+ return intrinsicPermeability_ ;
+ }
+
+ /*! \brief Return the porosity \f$[-]\f$ of the soil
+ *
+ * The position is determined based on the coordinate of
+ * the vertex belonging to the considered sub control volume.
+ * \param element The finite element
+ * \param fvGeometry The finite volume geometry
+ * \param scvIdx The local index of the sub-control volume */
+ const Scalar porosity(const Element & element,
+ const FVElementGeometry & fvGeometry,
+ const unsigned int scvIdx) const
+ {
+ const GlobalPosition & globalPos = fvGeometry.subContVol[scvIdx].global ;
+ if ( inOutFlow(globalPos) )
+ return porosityOutFlow_ ;
+ else
+ return porosity_ ;
+ }
+
+ /*!
+ * \brief Return a reference to the material parameters of the material law.
+ *
+ * The position is determined based on the coordinate of
+ * the vertex belonging to the considered sub control volume.
+ * \param element The finite element
+ * \param fvGeometry The finite volume geometry
+ * \param scvIdx The local index of the sub-control volume */
+ const MaterialLawParams & materialLawParams(const Element & element,
+ const FVElementGeometry & fvGeometry,
+ const unsigned int scvIdx) const
+ {
+ const GlobalPosition & globalPos = fvGeometry.subContVol[scvIdx].global ;
+ const MaterialLawParams & materialParams = materialLawParamsAtPos(globalPos) ;
+ return materialParams ;
+ }
+
+ /*!
+ * \brief Return a reference to the material parameters of the material law.
+ * \param globalPos The position in global coordinates. */
+ const MaterialLawParams & materialLawParamsAtPos(const GlobalPosition & globalPos) const
+ {
+ return materialParams_ ;
+ }
+
+ /*!\brief Return the characteristic length for the mass transfer.
+ *
+ * The position is determined based on the coordinate of
+ * the vertex belonging to the considered sub controle volume.
+ * \param element The finite element
+ * \param fvGeometry The finite volume geometry
+ * \param scvIdx The local index of the sub control volume */
+ const Scalar characteristicLength(const Element & element,
+ const FVElementGeometry & fvGeometry,
+ const unsigned int scvIdx) const
+ { const GlobalPosition & globalPos = fvGeometry.subContVol[scvIdx].global ;
+ return characteristicLengthAtPos(globalPos); }
+ /*!\brief Return the characteristic length for the mass transfer.
+ * \param globalPos The position in global coordinates.*/
+ const Scalar characteristicLengthAtPos(const GlobalPosition & globalPos) const
+ { return characteristicLength_ ; }
+
+ /*!\brief Return the pre factor the the energy transfer
+ *
+ * The position is determined based on the coordinate of
+ * the vertex belonging to the considered sub controle volume.
+ * \param element The finite element
+ * \param fvGeometry The finite volume geometry
+ * \param scvIdx The local index of the sub control volume */
+ const Scalar factorEnergyTransfer(const Element & element,
+ const FVElementGeometry & fvGeometry,
+ const unsigned int scvIdx) const
+ { const GlobalPosition & globalPos = fvGeometry.subContVol[scvIdx].global ;
+ return factorEnergyTransferAtPos(globalPos); }
+ /*!\brief Return the pre factor the the energy transfer
+ * \param globalPos The position in global coordinates.*/
+ const Scalar factorEnergyTransferAtPos(const GlobalPosition & globalPos) const
+ {
+ return factorEnergyTransfer_ ;
+ }
+
+
+ /*!\brief Return the pre factor the the mass transfer
+ *
+ * The position is determined based on the coordinate of
+ * the vertex belonging to the considered sub controle volume.
+ * \param element The finite element
+ * \param fvGeometry The finite volume geometry
+ * \param scvIdx The local index of the sub control volume */
+ const Scalar factorMassTransfer(const Element & element,
+ const FVElementGeometry & fvGeometry,
+ const unsigned int scvIdx) const
+ { const GlobalPosition & globalPos = fvGeometry.subContVol[scvIdx].global ;
+ return factorMassTransferAtPos(globalPos); }
+ /*!\brief Return the pre factor the the mass transfer
+ * \param globalPos The position in global coordinates.*/
+ const Scalar factorMassTransferAtPos(const GlobalPosition & globalPos) const
+ {
+ return factorMassTransfer_ ;
+ }
+
+
+ /*! \brief Returns the heat capacity \f$[J/m^3 K]\f$ of the rock matrix.
+ * \param element The finite element
+ * \param fvGeometry The finite volume geometry
+ * \param scvIdx The local index of the sub-control volume where
+ * the heat capacity needs to be defined */
+ const Scalar heatCapacity(const Element &element,
+ const FVElementGeometry &fvGeometry,
+ const unsigned int scvIdx) const
+ { return heatCapacity_ ;} // specific heat capacity of solid [J / (kg K)]
+
+ /*!\brief Returns the density \f$[kg/m^3]\f$ of the rock matrix.
+ * \param element The finite element
+ * \param fvGeometry The finite volume geometry
+ * \param scvIdx The local index of the sub-control volume */
+ const Scalar densitySolid(const Element & element,
+ const FVElementGeometry & fvGeometry,
+ const unsigned int scvIdx) const
+ { return densitySolid_ ;} // density of solid [kg/m^3]
+
+ /*!\brief Returns the thermal conductivity \f$[W/(m K)]\f$ of the rock matrix.
+ * \param element The finite element
+ * \param fvGeometry The finite volume geometry
+ * \param scvIdx The local index of the sub-control volume */
+ const Scalar thermalConductivitySolid(const Element &element,
+ const FVElementGeometry &fvGeometry,
+ const unsigned int scvIdx)const
+ {
+ const GlobalPosition & globalPos = fvGeometry.subContVol[scvIdx].global ;
+ if ( inOutFlow(globalPos) )
+ return thermalConductivitySolidOutflow_ ;
+ else
+ return thermalConductivitySolid_ ;
+ } // conductivity of solid [W / (m K ) ]
+
+ /*!
+ * \brief Give back whether the tested position (input) is a specific region (right end of porous medium) in the domain
+ */
+ bool inOutFlow(const GlobalPosition & globalPos) const
+ { return globalPos[0] > (lengthPM_ - eps_) ; }
+
+ /*!
+ * \brief Give back how long the porous medium domain is.
+ */
+ Scalar lengthPM() const
+ {
+ return lengthPM_ ;
+ }
+
+ /*!
+ * \brief Give back the itnerfacial tension
+ */
+ Scalar interfacialTension() const
+ {
+ return interfacialTension_ ;
+ }
+
+private:
+ Scalar eps_ ;
+
+
+ // Porous Medium Domain
+ Scalar intrinsicPermeability_ ;
+ Scalar porosity_ ;
+ Scalar factorEnergyTransfer_ ;
+ Scalar factorMassTransfer_ ;
+ Scalar characteristicLength_ ;
+ MaterialLawParams materialParams_ ;
+
+ // Outflow Domain
+ Scalar intrinsicPermeabilityOutFlow_ ;
+ Scalar porosityOutFlow_ ;
+
+ // solid parameters
+ Scalar densitySolid_ ;
+ Scalar thermalConductivitySolid_ ;
+ Scalar thermalConductivitySolidOutflow_ ;
+ Scalar heatCapacity_ ;
+ Scalar interfacialTension_ ;
+
+
+ // capillary pressures parameters
+ Scalar Swr_ ;
+ Scalar Snr_ ;
+
+ // grid
+ Scalar lengthPM_ ;
+};
+
+}
+
+#endif // GUARDIAN
diff --git a/test/implicit/mpnc/grids/combustionOutflowGridLinNX100LogNx100.dgf b/test/implicit/mpnc/grids/combustionOutflowGridLinNX100LogNx100.dgf
new file mode 100644
index 0000000000..a77b8580f8
--- /dev/null
+++ b/test/implicit/mpnc/grids/combustionOutflowGridLinNX100LogNx100.dgf
@@ -0,0 +1,410 @@
+DGF
+
+VERTEX
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+#
+
+CUBE
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diff --git a/test/implicit/mpnc/grids/combustionOutflowGridLinNX200LogNx200.dgf b/test/implicit/mpnc/grids/combustionOutflowGridLinNX200LogNx200.dgf
new file mode 100644
index 0000000000..6e4b1d26b3
--- /dev/null
+++ b/test/implicit/mpnc/grids/combustionOutflowGridLinNX200LogNx200.dgf
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diff --git a/test/implicit/mpnc/grids/combustionOutflowGridLinNX400LogNx400.dgf b/test/implicit/mpnc/grids/combustionOutflowGridLinNX400LogNx400.dgf
new file mode 100644
index 0000000000..fcedaac001
--- /dev/null
+++ b/test/implicit/mpnc/grids/combustionOutflowGridLinNX400LogNx400.dgf
@@ -0,0 +1,1610 @@
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diff --git a/test/implicit/mpnc/grids/combustionOutflowGridLinNX40LogNx40.dgf b/test/implicit/mpnc/grids/combustionOutflowGridLinNX40LogNx40.dgf
new file mode 100644
index 0000000000..6f9aa98544
--- /dev/null
+++ b/test/implicit/mpnc/grids/combustionOutflowGridLinNX40LogNx40.dgf
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+4.411349
+4.965514
+5.589296
+6.291438
+7.081786
+7.971419
+8.972811
+10.100000
+#
+
+CUBE
+0 1
+1 2
+2 3
+3 4
+4 5
+5 6
+6 7
+7 8
+8 9
+9 10
+10 11
+11 12
+12 13
+13 14
+14 15
+15 16
+16 17
+17 18
+18 19
+19 20
+20 21
+21 22
+22 23
+23 24
+24 25
+25 26
+26 27
+27 28
+28 29
+29 30
+30 31
+31 32
+32 33
+33 34
+34 35
+35 36
+36 37
+37 38
+38 39
+39 40
+40 41
+41 42
+42 43
+43 44
+44 45
+45 46
+46 47
+47 48
+48 49
+49 50
+50 51
+51 52
+52 53
+53 54
+54 55
+55 56
+56 57
+57 58
+58 59
+59 60
+60 61
+61 62
+62 63
+63 64
+64 65
+65 66
+66 67
+67 68
+68 69
+69 70
+70 71
+71 72
+72 73
+73 74
+74 75
+75 76
+76 77
+77 78
+78 79
+#
+
+#
+
diff --git a/test/implicit/mpnc/test_boxmpncthermalnonequil.cc b/test/implicit/mpnc/test_boxmpncthermalnonequil.cc
new file mode 100644
index 0000000000..dedbc49e74
--- /dev/null
+++ b/test/implicit/mpnc/test_boxmpncthermalnonequil.cc
@@ -0,0 +1,64 @@
+/*****************************************************************************
+ * Copyright (C) 2009-2010 by Philipp Nuske *
+ * Institute of Hydraulic Engineering *
+ * University of Stuttgart, Germany *
+ * email: <givenname>.<name>@iws.uni-stuttgart.de *
+ * *
+ * 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/>. *
+ *****************************************************************************/
+#include "config.h"
+
+//#include "combustionproblem.hh"
+#include "combustionproblem1c.hh"
+
+
+#include <dumux/common/start.hh>
+
+/*!
+ * \brief Provides an interface for customizing error messages associated with
+ * reading in parameters.
+ *
+ * \param progName The name of the program, that was tried to be started.
+ * \param errorMsg The error message that was issued by the start function.
+ * Comprises the thing that went wrong and a general help message.
+ */
+void usage(const char *progName, const std::string &errorMsg)
+{
+ if (errorMsg.size() > 0) {
+ std::string errorMessageOut = "\nUsage: ";
+ errorMessageOut += progName;
+ errorMessageOut += " [options]\n";
+ errorMessageOut += errorMsg;
+ errorMessageOut += "\n\nThe list of mandatory options for this program is:\n"
+ "\t-TimeManager.TEnd End of the simulation [s] \n"
+ "\t-TimeManager.DtInitial Initial timestep size [s] \n"
+ "\t-Grid.File Name of the file containing the grid \n"
+ "\t definition in DGF format\n"
+ "\t-SpatialParams.LensLowerLeftX x-coordinate of the lower left corner of the lens [m] \n"
+ "\t-SpatialParams.LensLowerLeftY y-coordinate of the lower left corner of the lens [m] \n"
+ "\t-SpatialParams.LensUpperRightX x-coordinate of the upper right corner of the lens [m] \n"
+ "\t-SpatialParams.LensUpperRightY y-coordinate of the upper right corner of the lens [m] \n"
+ "\t-Problem.Name String for naming of the output files \n"
+ "\n";
+
+ std::cout << errorMessageOut << std::endl;
+ }
+}
+
+int main(int argc, char** argv)
+{
+// typedef TTAG(CombustionProblem) ProblemTypeTag;
+ typedef TTAG(CombustionProblemOneComponent) ProblemTypeTag;
+ return Dumux::start<ProblemTypeTag>(argc, argv, usage);
+}
diff --git a/test/implicit/mpnc/test_boxmpncthermalnonequil.input b/test/implicit/mpnc/test_boxmpncthermalnonequil.input
new file mode 100644
index 0000000000..6b2b2d5078
--- /dev/null
+++ b/test/implicit/mpnc/test_boxmpncthermalnonequil.input
@@ -0,0 +1,83 @@
+
+#############################################################
+#Configuration file for test_inputfile
+#############################################################
+
+
+#############################################################
+# Mandatory arguments #
+#############################################################
+[TimeManager]
+DtInitial = 5e-1 # [s]
+TEnd = 1e3 # [s]
+MaxTimeStepSize = 2e20 # maximum allowed timestep size
+#
+
+#############################################################
+[Grid]
+#############################################################
+#Name of the dgf file (grid)
+ File = ./grids/combustionOutflowGridLinNX100LogNx100.dgf
+# File = ./grids/combustionGrid.dgf
+
+lengthPM = 0.1
+
+#############################################################
+#Define initial conditions
+#############################################################
+[InitialConditions]
+pnInitial = 1e5 # 6.8e6 # 1e5 # 101475 # Pa
+TInitial = 372 # 373.15 #
+TRight = 400 # 373.15 #
+
+[BoundaryConditions]
+TBoundary =300 #
+SwBoundary = 1e-3 #
+SwOneComponentSys = 1 #
+
+massFluxInjectedPhase = 0.5 #
+# heatFluxFromRight = 2e6 # fluid temperature on boundary: analytical approx 1080 K
+heatFluxFromRight = 1.5e6 # fluid temperature on boundary: analytical approx 587.3 K
+coldTime = 1
+
+############################################################
+#Define spatial parameters
+############################################################
+[SpatialParams.PorousMedium]
+porosity = 0.35 #
+meanPoreSize = 5e-4 # characteristic length of the system
+factorEnergyTransfer = 1 #
+factorMassTransfer = 1 #
+
+[SpatialParams.OutFlow]
+permeabilityOutFlow = 1e-6 # m^2
+porosityOutFlow = 0.35 #
+soilThermalConductivityOutFlow = 0.01#
+
+###############################
+#Define soil parameters
+###############################
+[SpatialParams.soil]
+density = 2600. # kg/m^3
+soilThermalConductivity = 30 # W / (m K) soil:3, metal:30
+heatCapacity = 466 # J / (kg K) steel:466 granite:800
+
+Swr = 0.0 # 5e-3
+Snr = 0 #
+
+############################################################
+#Define constants: tabulation etc
+#############################################################
+[Constants]
+outputName = combustion #
+
+interfacialTension = 0.0589 # interfacial tension of water at 100 ° C
+
+nRestart = 10000 # after so many timesteps a restart file should be written
+
+#
+[Implicit]
+MassUpwindWeight=1
+MobilityUpwindWeight=1
+#
+
diff --git a/test/references/combustion-reference.vtp b/test/references/combustion-reference.vtp
new file mode 100644
index 0000000000..5b12d93b75
--- /dev/null
+++ b/test/references/combustion-reference.vtp
@@ -0,0 +1,614 @@
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GitLab