From 6cd659aec4d5288769ced252703a848e22903865 Mon Sep 17 00:00:00 2001
From: vishal jambhekar <vishal.jambhekar@iws.uni-stuttgart.de>
Date: Thu, 30 Jul 2015 11:17:38 +0000
Subject: [PATCH] New test case for 2pncmin model added to dumux/test. For this
following additional files are needed (Reviewde by Johannes)
- For variation of salinity in brine the needed constitutive relations are implemented in components brine_VerSalinity.hh and nacl.hh
- Additional constraint solvers (compositionfromfugacities2pncmin and computefromreferencephase2pncmin) are needed, specially for the case nPhaseOnly
- Additional constraint solvers (computefromreferencephase2pnc and miscible2pnccomposition) are needed for 2pnc cases in general.
- Fluidsystem brineairfluidsystem is updated
- Binerycoefficient file for brine_air case is included.
- A test case for 2pncmin model is included for flusiong of precipitated salt in gas reserviors. The includes corresponding problem file, spatial parameters file, input file and *.cc file.
- For this the CMakeLists.txt is also updated.
- A reference solution 2pncmin test case "injectionbox2pncmin-reference" is included to test/references folder
git-svn-id: svn://svn.iws.uni-stuttgart.de/DUMUX/dumux/trunk@15196 2fb0f335-1f38-0410-981e-8018bf24f1b0
---
.../material/components/brine_varSalinity.hh | 332 +++++++
dumux/material/components/nacl.hh | 66 ++
.../compositionfromfugacities2pncmin.hh | 143 +++
.../computefromreferencephase2pnc.hh | 175 ++++
.../computefromreferencephase2pncmin.hh | 177 ++++
.../miscible2pnccomposition.hh | 243 +++++
.../fluidsystems/brineairfluidsystem.hh | 2 +-
test/implicit/2pncmin/CMakeLists.txt | 9 +
test/implicit/2pncmin/dissolutionproblem.hh | 458 +++++++++
.../2pncmin/dissolutionspatialparams.hh | 218 +++++
test/implicit/2pncmin/grids/test_2pncmin.dgf | 11 +
test/implicit/2pncmin/test_box2pncmin.cc | 69 ++
test/implicit/2pncmin/test_box2pncmin.input | 67 ++
test/implicit/CMakeLists.txt | 1 +
.../injectionbox2pncmin-reference.vtu | 893 ++++++++++++++++++
15 files changed, 2863 insertions(+), 1 deletion(-)
create mode 100755 dumux/material/components/brine_varSalinity.hh
create mode 100644 dumux/material/components/nacl.hh
create mode 100644 dumux/material/constraintsolvers/compositionfromfugacities2pncmin.hh
create mode 100644 dumux/material/constraintsolvers/computefromreferencephase2pnc.hh
create mode 100644 dumux/material/constraintsolvers/computefromreferencephase2pncmin.hh
create mode 100644 dumux/material/constraintsolvers/miscible2pnccomposition.hh
create mode 100644 test/implicit/2pncmin/CMakeLists.txt
create mode 100644 test/implicit/2pncmin/dissolutionproblem.hh
create mode 100644 test/implicit/2pncmin/dissolutionspatialparams.hh
create mode 100644 test/implicit/2pncmin/grids/test_2pncmin.dgf
create mode 100644 test/implicit/2pncmin/test_box2pncmin.cc
create mode 100644 test/implicit/2pncmin/test_box2pncmin.input
create mode 100644 test/references/injectionbox2pncmin-reference.vtu
diff --git a/dumux/material/components/brine_varSalinity.hh b/dumux/material/components/brine_varSalinity.hh
new file mode 100755
index 0000000000..b654377e49
--- /dev/null
+++ b/dumux/material/components/brine_varSalinity.hh
@@ -0,0 +1,332 @@
+// -*- 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
+ *
+ * \ingroup Components
+ *
+ * \brief A class for the brine fluid properties,.
+ */
+#ifndef DUMUX_BRINE_VARSALINITY_HH
+#define DUMUX_BRINE_VARSALINITY_HH
+
+
+#include <dumux/material/components/component.hh>
+#include <dumux/material/components/h2o.hh>
+#include <dumux/material/components/nacl.hh>
+#include <dumux/material/components/tabulatedcomponent.hh>
+
+#include <cmath>
+
+namespace Dumux
+{
+/*!
+ *
+ * \ingroup Components
+ *
+ * \brief A class for the brine fluid properties.
+ *
+ * \tparam Scalar The type used for scalar values
+ * \tparam H2O Static polymorphism: the Brine class can access all properties of the H2O class
+ */
+template <class Scalar,
+class H2O_Tabulated = Dumux::TabulatedComponent<Scalar, Dumux::H2O<Scalar>>>
+class BrineVarSalinity : public Component<Scalar, BrineVarSalinity<Scalar, H2O_Tabulated> >
+{
+public:
+
+ typedef Dumux::TabulatedComponent<Scalar, Dumux::H2O<Scalar>> H2O;
+
+ /*!
+ * \brief A human readable name for the brine.
+ */
+ static const char *name()
+ { return "Brine"; }
+
+ /*!
+ * \brief The molar mass in \f$\mathrm{[kg/mol]}\f$ of brine.
+ *
+ * This assumes that the salt is pure NaCl.
+ */
+ static Scalar molarMass(Scalar salinity)
+ {
+ const Scalar M1 = H2O::molarMass();
+ const Scalar M2 = NaCl<Scalar>::molarMass(); // molar mass of NaCl [kg/mol]
+ const Scalar X2 = salinity; // mass fraction of salt in brine
+ return M1*M2/(M2 + X2*(M1 - M2));
+ };
+
+ /*!
+ * \brief Returns the critical temperature \f$\mathrm{[K]}\f$ of brine. Here, it is assumed to be equal to that of pure water.
+ */
+ static Scalar criticalTemperature()
+ { return H2O::criticalTemperature(); /* [K] */ }
+
+ /*!
+ * \brief Returns the critical pressure \f$\mathrm{[Pa]}\f$ of brine. Here, it is assumed to be equal to that of pure water.
+ */
+ static Scalar criticalPressure()
+ { return H2O::criticalPressure(); /* [N/m^2] */ }
+
+ /*!
+ * \brief Returns the temperature \f$\mathrm{[K]}\f$ at brine's triple point. Here, it is assumed to be equal to that of pure water.
+ */
+ static Scalar tripleTemperature()
+ { return H2O::tripleTemperature(); /* [K] */ }
+
+ /*!
+ * \brief Returns the pressure \f$\mathrm{[Pa]}\f$ at brine's triple point. Here, it is assumed to be equal to that of pure water.
+ */
+ static Scalar triplePressure()
+ { return H2O::triplePressure(); /* [N/m^2] */ }
+
+ /*!
+ * \brief The vapor pressure in \f$\mathrm{[Pa]}\f$ of pure brine
+ * at a given temperature. Here, it is assumed to be equal to that of pure water.
+ *
+ * \param T temperature of component in \f$\mathrm{[K]}\f$
+ */
+ static Scalar vaporPressure(Scalar T)
+ { return H2O::vaporPressure(T); /* [N/m^2] */ }
+
+ /*!
+ * \brief Specific enthalpy of gaseous brine \f$\mathrm{[J/kg]}\f$.
+ * Only water volatile and salt is suppose to stay in the liquid phase.
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ */
+ static const Scalar gasEnthalpy(Scalar temperature,
+ Scalar pressure)
+ { return H2O::gasEnthalpy(temperature, pressure); /* [J/kg] */ }
+
+ /*!
+ * \brief Specific enthalpy of liquid brine \f$\mathrm{[J/kg]}\f$.
+ *
+ * \param T temperature of component in \f$\mathrm{[K]}\f$
+ * \param p pressure of component in \f$\mathrm{[Pa]}\f$
+ *
+ * Equations given in: - Palliser & McKibbin 1997
+ * - Michaelides 1981
+ * - Daubert & Danner 1989
+ */
+ static const Scalar liquidEnthalpy(Scalar T,
+ Scalar p, Scalar salinity)
+ {
+ /*Numerical coefficents from PALLISER*/
+ static const Scalar f[] = {
+ 2.63500E-1, 7.48368E-6, 1.44611E-6, -3.80860E-10
+ };
+
+ /*Numerical coefficents from MICHAELIDES for the enthalpy of brine*/
+ static const Scalar a[4][3] = {
+ { -9633.6, -4080.0, +286.49 },
+ { +166.58, +68.577, -4.6856 },
+ { -0.90963, -0.36524, +0.249667E-1 },
+ { +0.17965E-2, +0.71924E-3, -0.4900E-4 }
+ };
+
+ Scalar theta, h_NaCl;
+ Scalar m, h_ls, h_ls1, d_h;
+ Scalar S_lSAT, delta_h;
+ int i, j;
+ Scalar hw;
+
+ theta = T - 273.15;
+
+ Scalar S = salinity;
+ S_lSAT = f[0] + f[1]*theta + f[2]*pow(theta,2) + f[3]*pow(theta,3);
+ /*Regularization*/
+ if (S>S_lSAT) {
+ S = S_lSAT;
+ }
+
+ hw = H2O::liquidEnthalpy(T, p)/1E3; /* kJ/kg */
+
+ /*DAUBERT and DANNER*/
+ /*U=*/h_NaCl = (3.6710E4*T + 0.5*(6.2770E1)*T*T - ((6.6670E-2)/3)*T*T*T
+ +((2.8000E-5)/4)*pow(T,4))/(58.44E3)- 2.045698e+02; /* kJ/kg */
+
+ m = (1E3/58.44)*(S/(1-S));
+ i = 0;
+ j = 0;
+ d_h = 0;
+
+ for (i = 0; i<=3; i++) {
+ for (j=0; j<=2; j++) {
+ d_h = d_h + a[i][j] * pow(theta, i) * pow(m, j);
+ }
+ }
+
+ delta_h = (4.184/(1E3 + (58.44 * m)))*d_h;
+
+ /* Enthalpy of brine */
+
+ h_ls1 =(1-S)*hw + S*h_NaCl + S*delta_h; /* kJ/kg */
+
+ h_ls = h_ls1*1E3; /*J/kg*/
+
+ return (h_ls);
+ }
+
+ /*!
+ * \brief Specific internal energy of steam \f$\mathrm{[J/kg]}\f$.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ */
+ static const Scalar gasInternalEnergy(Scalar temperature,
+ Scalar pressure)
+ {
+ return H2O::gasInternalEnergy(temperature, pressure);
+ }
+
+ /*!
+ * \brief Specific internal energy of liquid brine \f$\mathrm{[J/kg]}\f$.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ */
+ static const Scalar liquidInternalEnergy(Scalar temperature,
+ Scalar pressure, Scalar salinity)
+ {
+ return
+ liquidEnthalpy(temperature, pressure) -
+ pressure/liquidDensity(temperature, pressure);
+ }
+
+ /*!
+ * \brief The density of steam at a given pressure and temperature \f$\mathrm{[kg/m^3]}\f$.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ */
+ static Scalar gasDensity(Scalar temperature, Scalar pressure)
+ { return H2O::gasDensity(temperature, pressure); }
+
+ /*!
+ * \brief The density of pure brine at a given pressure and temperature \f$\mathrm{[kg/m^3]}\f$.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ *
+ * Equations given in: - Batzle & Wang (1992)
+ * - cited by: Adams & Bachu in Geofluids (2002) 2, 257-271
+ */
+ static Scalar liquidDensity(Scalar temperature, Scalar pressure, Scalar salinity)
+ {
+ Scalar TempC = temperature - 273.15;
+ Scalar pMPa = pressure/1.0E6;
+ salinity = std::abs(salinity);
+
+ Scalar rhow = H2O::liquidDensity(temperature, pressure);
+
+ Scalar density = rhow +
+ 1000*salinity*(
+ 0.668 +
+ 0.44*salinity +
+ 1.0E-6*(
+ 300*pMPa -
+ 2400*pMPa*salinity +
+ TempC*(
+ 80.0 -
+ 3*TempC -
+ 3300*salinity -
+ 13*pMPa +
+ 47*pMPa*salinity)));
+ assert(density > 0.0);
+ return density;
+ }
+
+ /*!
+ * \brief The pressure of steam in \f$\mathrm{[Pa]}\f$ at a given density and temperature.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param density denstiy of component in \f$\mathrm{[kg/m^3]}\f$
+ */
+ static Scalar gasPressure(Scalar temperature, Scalar density)
+ { return H2O::gasPressure(temperature, density); }
+
+ /*!
+ * \brief The pressure of liquid water in \f$\mathrm{[Pa]}\f$ at a given density and
+ * temperature.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param density density of component in \f$\mathrm{[kg/m^3]}\f$
+ */
+ static Scalar liquidPressure(Scalar temperature, Scalar density, Scalar salinity)
+ {
+ // We use the newton method for this. For the initial value we
+ // assume the pressure to be 10% higher than the vapor
+ // pressure
+ Scalar pressure = 1.1*vaporPressure(temperature);
+ Scalar eps = pressure*1e-7;
+
+ Scalar deltaP = pressure*2;
+ for (int i = 0; i < 5 && std::abs(pressure*1e-9) < std::abs(deltaP); ++i) {
+ Scalar f = liquidDensity(temperature, pressure) - density;
+
+ Scalar df_dp;
+ df_dp = liquidDensity(temperature, pressure + eps);
+ df_dp -= liquidDensity(temperature, pressure - eps);
+ df_dp /= 2*eps;
+
+ deltaP = - f/df_dp;
+
+ pressure += deltaP;
+ }
+ assert(pressure > 0.0);
+ return pressure;
+ }
+
+ /*!
+ * \brief The dynamic viscosity \f$\mathrm{[Pa*s]}\f$ of steam.
+ *
+ * \param temperature temperature of component
+ * \param pressure pressure of component
+ */
+ static Scalar gasViscosity(Scalar temperature, Scalar pressure)
+ { return H2O::gasViscosity(temperature, pressure); };
+
+ /*!
+ * \brief The dynamic viscosity \f$\mathrm{[Pa*s]}\f$ of pure brine.
+ *
+ * \param temperature temperature of component in \f$\mathrm{[K]}\f$
+ * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$
+ *
+ * Equation given in: - Batzle & Wang (1992)
+ * - cited by: Bachu & Adams (2002)
+ * "Equations of State for basin geofluids"
+ */
+ static Scalar liquidViscosity(Scalar temperature, Scalar pressure, Scalar salinity)
+ {
+ if(temperature <= 275.) // regularisation
+ { temperature = 275; }
+ salinity = std::abs(salinity);
+ Scalar T_C = temperature - 273.15;
+ if(salinity < 0.0)
+ {salinity = 0.0;}
+ Scalar A = (0.42*pow((pow(salinity, 0.8)-0.17), 2) + 0.045)*pow(T_C, 0.8);
+ Scalar mu_brine = 0.1 + 0.333*salinity + (1.65+91.9*salinity*salinity*salinity)*exp(-A);
+ assert(mu_brine > 0.0);
+ return mu_brine/1000.0; /* unit: Pa s */
+ }
+};
+} // end namespace
+
+#endif
diff --git a/dumux/material/components/nacl.hh b/dumux/material/components/nacl.hh
new file mode 100644
index 0000000000..bb64a6c898
--- /dev/null
+++ b/dumux/material/components/nacl.hh
@@ -0,0 +1,66 @@
+#ifndef NACL_HH
+#define NACL_HH
+/*!
+ * \file
+ *
+ * \brief A class for the NaCl properties
+ */
+#ifndef DUMUX_NACL_HH
+#define DUMUX_NACL_HH
+
+#include <dumux/common/exceptions.hh>
+#include <dumux/material/components/component.hh>
+
+#include <cmath>
+#include <iostream>
+
+
+namespace Dumux
+{
+/*!
+ * \brief A class for the NaCl properties
+ */
+template <class Scalar>
+class NaCl : public Component<Scalar, NaCl<Scalar> >
+{
+public:
+ /*!
+ * \brief A human readable name for the NaCl.
+ */
+ static const char *name()
+ {
+ return "NaCl";
+ }
+
+ /*!
+ * \brief The mass in [kg] for one mole of NaCl.
+ */
+ static Scalar molarMass()
+ {
+ return 58.4428e-3 ;
+ } // kg/mol
+
+ /*!
+ * \brief The diffusion Coefficient of NaCl in water.
+ */
+ static Scalar liquidDiffCoeff(Scalar temperature, Scalar pressure)
+ {
+ return 2e-9;
+ }
+
+ /*!
+ * \brief The mass density of NaCl.
+ */
+ static Scalar Density()
+ {
+ return (2165); /* 2165 kg/m³*/
+ }
+};
+
+} // end namespace
+
+#endif
+
+
+
+#endif // NACL_HH
diff --git a/dumux/material/constraintsolvers/compositionfromfugacities2pncmin.hh b/dumux/material/constraintsolvers/compositionfromfugacities2pncmin.hh
new file mode 100644
index 0000000000..ca9767b6ef
--- /dev/null
+++ b/dumux/material/constraintsolvers/compositionfromfugacities2pncmin.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/>. *
+ *****************************************************************************/
+/*!
+ * \file
+ *
+ * \brief Determines the fluid composition given the component
+ * fugacities and an arbitary equation of state.
+ */
+#ifndef DUMUX_COMPOSITION_FROM_FUGACITIES_2PNCMIN_HH
+#define DUMUX_COMPOSITION_FROM_FUGACITIES_2PNCMIN_HH
+
+#include <dune/common/fvector.hh>
+#include <dune/common/fmatrix.hh>
+
+#include <dumux/common/exceptions.hh>
+#include <dumux/common/valgrind.hh>
+
+namespace Dumux {
+
+/*!
+ * \brief Calculates the chemical equilibrium from the component
+ * fugacities in a phase.
+ */
+template <class Scalar, class FluidSystem>
+class compositionFromFugacities2pncmin
+{
+ enum {
+ numComponents = FluidSystem::numComponents,
+ numMajorComponents = FluidSystem::numMajorComponents
+ };
+
+ typedef typename FluidSystem::ParameterCache ParameterCache;
+
+
+public:
+ typedef Dune::FieldVector<Scalar, numComponents> ComponentVector;
+
+ /*!
+ * \brief Guess an initial value for the composition of the phase.
+ * \param fluidState Thermodynamic state of the fluids
+ * \param paramCache Container for cache parameters
+ * \param phaseIdx The phase index
+ * \param phasePresence The presence index of the reference phase
+ * \param fugVec fugacity vector of the component
+ */
+ template <class FluidState>
+ static void guessInitial(FluidState &fluidState,
+ ParameterCache ¶mCache,
+ int phaseIdx,
+ int phasePresence,
+ const ComponentVector &fugVec)
+ {
+ if (FluidSystem::isIdealMixture(phaseIdx))
+ return;
+
+ // Pure component fugacities
+ for (int i = 0; i < numComponents; ++ i) {
+ //std::cout << f << " -> " << mutParams.fugacity(phaseIdx, i)/f << "\n";
+ fluidState.setMoleFraction(phaseIdx,
+ i,
+ 1.0/numComponents);
+ }
+ }
+
+ /*!
+ * \brief Calculates the chemical equilibrium from the component
+ * fugacities in a phase. This constraint solver is developed for drying scenarios where salt component is restricted to liquid phase and still for the sake for equilibrium calculation some residual salt must be considered in the gas phase. In such cases for existence of gas phase only, in the theoretical liquid phase, we set the mole fraction of salt to 1e-10.
+ * \param fluidState Thermodynamic state of the fluids
+ * \param paramCache Container for cache parameters
+ * \param phaseIdx The phase index
+ * \param targetFug target fugacity
+ *
+ * The phase's fugacities must already be set.
+ */
+ template <class FluidState>
+ static void solve(FluidState &fluidState,
+ ParameterCache ¶mCache,
+ int phaseIdx,
+ int phasePresence,
+ const ComponentVector &targetFug)
+ {
+ // use a much more efficient method in case the phase is an
+ // ideal mixture
+ if (FluidSystem::isIdealMixture(phaseIdx))
+ {
+ solveIdealMix_(fluidState, paramCache, phaseIdx, phasePresence, targetFug);
+ return;
+ }
+ else
+ DUNE_THROW(NumericalProblem, "This constraint solver is not tested for non-ideal mixtures: Please refer computefromfugacities.hh for details" );
+ }
+
+
+protected:
+ // update the phase composition in case the phase is an ideal
+ // mixture, i.e. the component's fugacity coefficients are
+ // independent of the phase's composition.
+ template <class FluidState>
+ static void solveIdealMix_(FluidState &fluidState,
+ ParameterCache ¶mCache,
+ int phaseIdx,
+ int phasePresence,
+ const ComponentVector &fugacities)
+ {
+ for (int i = 0; i < numComponents; ++ i) {
+ Scalar phi = FluidSystem::fugacityCoefficient(fluidState,
+ paramCache,
+ phaseIdx,
+ i);
+ Scalar gamma = phi * fluidState.pressure(phaseIdx);
+ fluidState.setFugacityCoefficient(phaseIdx, i, phi);
+ fluidState.setMoleFraction(phaseIdx, i, fugacities[i]/gamma);
+ // Special situation for drying PM and n-phase only situation.set the mole fraction of salt to 1e-10.
+ if (phaseIdx == 0 && i >= numMajorComponents && phasePresence == 2 /*nPhaseOnly*/)
+ fluidState.setMoleFraction(phaseIdx, i, 1.0e-10);
+ }
+
+ paramCache.updatePhase(fluidState, phaseIdx);
+
+ Scalar rho = FluidSystem::density(fluidState, paramCache, phaseIdx);
+ fluidState.setDensity(phaseIdx, rho);
+ return;
+ }
+};
+} // end namespace Dumux
+
+#endif
diff --git a/dumux/material/constraintsolvers/computefromreferencephase2pnc.hh b/dumux/material/constraintsolvers/computefromreferencephase2pnc.hh
new file mode 100644
index 0000000000..5c4fba6385
--- /dev/null
+++ b/dumux/material/constraintsolvers/computefromreferencephase2pnc.hh
@@ -0,0 +1,175 @@
+// -*- 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 Computes all quantities of a generic fluid state if a
+ * reference phase has been specified.
+ *
+ * This makes it is possible to specify just one phase and let the
+ * remaining ones be calculated by the constraint solver. This
+ * constraint solver assumes thermodynamic equilibrium
+ */
+#ifndef DUMUX_COMPUTE_FROM_REFERENCE_PHASE_2PNC_HH
+#define DUMUX_COMPUTE_FROM_REFERENCE_PHASE_2PNC_HH
+
+#include <dumux/material/constraintsolvers/compositionfromfugacities.hh>
+
+#include <dune/common/fvector.hh>
+#include <dune/common/fmatrix.hh>
+
+#include <dumux/common/exceptions.hh>
+#include <dumux/common/valgrind.hh>
+
+namespace Dumux {
+
+/*!
+ * \brief Computes all quantities of a generic fluid state if a
+ * reference phase has been specified.
+ *
+ * This makes it is possible to specify just one phase and let the
+ * remaining ones be calculated by the constraint solver. This
+ * constraint solver assumes thermodynamic equilibrium. It assumes the
+ * following quantities to be set:
+ *
+ * - composition (mole+mass fractions) of the *reference* phase
+ * - temperature of the *reference* phase
+ * - saturations of *all* phases
+ * - pressures of *all* phases
+ *
+ * after calling the solve() method the following quantities are
+ * calculated in addition:
+ *
+ * - temperature of *all* phases
+ * - density, molar density, molar volume of *all* phases
+ * - composition in mole and mass fractions and molaries of *all* phases
+ * - mean molar masses of *all* phases
+ * - fugacity coefficients of *all* components in *all* phases
+ * - if the setViscosity parameter is true, also dynamic viscosities of *all* phases
+ * - if the setEnthalpy parameter is true, also specific enthalpies and internal energies of *all* phases
+ */
+template <class Scalar, class FluidSystem>
+class computeFromReferencePhase2pnc
+{
+ enum { numPhases = FluidSystem::numPhases };
+ enum { numComponents = FluidSystem::numComponents };
+ typedef Dumux::CompositionFromFugacities<Scalar, FluidSystem> CompositionFromFugacities;
+ typedef Dune::FieldVector<Scalar, numComponents> ComponentVector;
+
+public:
+ /*!
+ * \brief Computes all quantities of a generic fluid state if a
+ * reference phase has been specified.
+ *
+ * This makes it is possible to specify just one phase and let the
+ * remaining ones be calculated by the constraint solver. This
+ * constraint solver assumes thermodynamic equilibrium. It assumes the
+ * following quantities to be set:
+ *
+ * - composition (mole+mass fractions) of the *reference* phase
+ * - temperature of the *all* phases
+ * - saturations of *all* phases
+ * - pressures of *all* phases
+ *
+ * after calling the solve() method the following quantities are
+ * calculated in addition:
+ *
+ * - temperature of *all* phases
+ * - density, molar density, molar volume of *all* phases
+ * - composition in mole and mass fractions and molaries of *all* phases
+ * - mean molar masses of *all* phases
+ * - fugacity coefficients of *all* components in *all* phases
+ * - if the setViscosity parameter is true, also dynamic viscosities of *all* phases
+ * - if the setEnthalpy parameter is true, also specific enthalpies and internal energies of *all* phases
+ *
+ * \param fluidState Thermodynamic state of the fluids
+ * \param paramCache Container for cache parameters
+ * \param refPhaseIdx The phase index of the reference phase
+ * \param setViscosity Specify whether the dynamic viscosity of
+ * each phase should also be set.
+ * \param setEnthalpy Specify whether the specific
+ * enthalpy/internal energy of each phase
+ * should also be set.
+ */
+ template <class FluidState, class ParameterCache>
+ static void solve(FluidState &fluidState,
+ ParameterCache ¶mCache,
+ int refPhaseIdx,
+ bool setViscosity,
+ bool setEnthalpy)
+ {
+ ComponentVector fugVec;
+
+ // compute the density and enthalpy of the
+ // reference phase
+ paramCache.updatePhase(fluidState, refPhaseIdx);
+ fluidState.setDensity(refPhaseIdx,
+ FluidSystem::density(fluidState,
+ paramCache,
+ refPhaseIdx));
+
+ if (setEnthalpy)
+ fluidState.setEnthalpy(refPhaseIdx,
+ FluidSystem::enthalpy(fluidState,
+ paramCache,
+ refPhaseIdx));
+
+ if (setViscosity)
+ fluidState.setViscosity(refPhaseIdx,
+ FluidSystem::viscosity(fluidState,
+ paramCache,
+ refPhaseIdx));
+
+ // compute the fugacities of all components in the reference phase
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx) {
+ fluidState.setFugacityCoefficient(refPhaseIdx,
+ compIdx,
+ FluidSystem::fugacityCoefficient(fluidState,
+ paramCache,
+ refPhaseIdx,
+ compIdx));
+ fugVec[compIdx] = fluidState.fugacity(refPhaseIdx, compIdx);
+ }
+
+ // compute all quantities for the non-reference phases
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
+ if (phaseIdx == refPhaseIdx)
+ continue; // reference phase is already calculated
+
+ CompositionFromFugacities::guessInitial(fluidState, paramCache, phaseIdx, fugVec);
+ CompositionFromFugacities::solve(fluidState, paramCache, phaseIdx, fugVec);
+
+ if (setViscosity)
+ fluidState.setViscosity(phaseIdx,
+ FluidSystem::viscosity(fluidState,
+ paramCache,
+ phaseIdx));
+
+ if (setEnthalpy)
+ fluidState.setEnthalpy(phaseIdx,
+ FluidSystem::enthalpy(fluidState,
+ paramCache,
+ phaseIdx));
+ }
+ }
+};
+
+} // end namespace Dumux
+
+#endif
diff --git a/dumux/material/constraintsolvers/computefromreferencephase2pncmin.hh b/dumux/material/constraintsolvers/computefromreferencephase2pncmin.hh
new file mode 100644
index 0000000000..b7037a880f
--- /dev/null
+++ b/dumux/material/constraintsolvers/computefromreferencephase2pncmin.hh
@@ -0,0 +1,177 @@
+// -*- 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 Computes all quantities of a generic fluid state if a
+ * reference phase has been specified.
+ *
+ * This makes it is possible to specify just one phase and let the
+ * remaining ones be calculated by the constraint solver. This
+ * constraint solver assumes thermodynamic equilibrium
+ */
+#ifndef DUMUX_COMPUTE_FROM_REFERENCE_PHASE_2PNCMIN_HH
+#define DUMUX_COMPUTE_FROM_REFERENCE_PHASE_2PNCMIN_HH
+
+#include <dumux/material/constraintsolvers/compositionfromfugacities2pncmin.hh>
+
+#include <dune/common/fvector.hh>
+#include <dune/common/fmatrix.hh>
+
+#include <dumux/common/exceptions.hh>
+#include <dumux/common/valgrind.hh>
+
+namespace Dumux {
+
+/*!
+ * \brief Computes all quantities of a generic fluid state if a
+ * reference phase has been specified.
+ *
+ * This makes it is possible to specify just one phase and let the
+ * remaining ones be calculated by the constraint solver. This
+ * constraint solver assumes thermodynamic equilibrium. It assumes the
+ * following quantities to be set:
+ *
+ * - composition (mole+mass fractions) of the *reference* phase
+ * - temperature of the *reference* phase
+ * - saturations of *all* phases
+ * - pressures of *all* phases
+ *
+ * after calling the solve() method the following quantities are
+ * calculated in addition:
+ *
+ * - temperature of *all* phases
+ * - density, molar density, molar volume of *all* phases
+ * - composition in mole and mass fractions and molaries of *all* phases
+ * - mean molar masses of *all* phases
+ * - fugacity coefficients of *all* components in *all* phases
+ * - if the setViscosity parameter is true, also dynamic viscosities of *all* phases
+ * - if the setEnthalpy parameter is true, also specific enthalpies and internal energies of *all* phases
+ */
+template <class Scalar, class FluidSystem>
+class computeFromReferencePhase2pncmin
+{
+ enum { numPhases = FluidSystem::numPhases };
+ enum { numComponents = FluidSystem::numComponents };
+ typedef Dumux::compositionFromFugacities2pncmin<Scalar, FluidSystem> compositionFromFugacities2pncmin;
+ typedef Dune::FieldVector<Scalar, numComponents> ComponentVector;
+
+public:
+ /*!
+ * \brief Computes all quantities of a generic fluid state if a
+ * reference phase has been specified.
+ *
+ * This makes it is possible to specify just one phase and let the
+ * remaining ones be calculated by the constraint solver. This
+ * constraint solver assumes thermodynamic equilibrium. It assumes the
+ * following quantities to be set:
+ *
+ * - composition (mole+mass fractions) of the *reference* phase
+ * - temperature of the *all* phases
+ * - saturations of *all* phases
+ * - pressures of *all* phases
+ *
+ * after calling the solve() method the following quantities are
+ * calculated in addition:
+ *
+ * - temperature of *all* phases
+ * - density, molar density, molar volume of *all* phases
+ * - composition in mole and mass fractions and molaries of *all* phases
+ * - mean molar masses of *all* phases
+ * - fugacity coefficients of *all* components in *all* phases
+ * - if the setViscosity parameter is true, also dynamic viscosities of *all* phases
+ * - if the setEnthalpy parameter is true, also specific enthalpies and internal energies of *all* phases
+ *
+ * \param fluidState Thermodynamic state of the fluids
+ * \param paramCache Container for cache parameters
+ * \param refPhaseIdx The phase index of the reference phase
+ * \param phasePresence The presence index of the reference phase
+ * \param setViscosity Specify whether the dynamic viscosity of
+ * each phase should also be set.
+ * \param setEnthalpy Specify whether the specific
+ * enthalpy/internal energy of each phase
+ * should also be set.
+ */
+ template <class FluidState, class ParameterCache>
+ static void solve(FluidState &fluidState,
+ ParameterCache ¶mCache,
+ int refPhaseIdx,
+ int phasePresence,
+ bool setViscosity,
+ bool setEnthalpy)
+ {
+ ComponentVector fugVec;
+
+ // compute the density and enthalpy of the
+ // reference phase
+ paramCache.updatePhase(fluidState, refPhaseIdx);
+ fluidState.setDensity(refPhaseIdx,
+ FluidSystem::density(fluidState,
+ paramCache,
+ refPhaseIdx));
+
+ if (setEnthalpy)
+ fluidState.setEnthalpy(refPhaseIdx,
+ FluidSystem::enthalpy(fluidState,
+ paramCache,
+ refPhaseIdx));
+
+ if (setViscosity)
+ fluidState.setViscosity(refPhaseIdx,
+ FluidSystem::viscosity(fluidState,
+ paramCache,
+ refPhaseIdx));
+
+ // compute the fugacities of all components in the reference phase
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx) {
+ fluidState.setFugacityCoefficient(refPhaseIdx,
+ compIdx,
+ FluidSystem::fugacityCoefficient(fluidState,
+ paramCache,
+ refPhaseIdx,
+ compIdx));
+ fugVec[compIdx] = fluidState.fugacity(refPhaseIdx, compIdx);
+ }
+
+ // compute all quantities for the non-reference phases
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
+ if (phaseIdx == refPhaseIdx)
+ continue; // reference phase is already calculated
+
+ compositionFromFugacities2pncmin::guessInitial(fluidState, paramCache, phaseIdx, phasePresence,fugVec);
+ compositionFromFugacities2pncmin::solve(fluidState, paramCache, phaseIdx, phasePresence, fugVec);
+
+ if (setViscosity)
+ fluidState.setViscosity(phaseIdx,
+ FluidSystem::viscosity(fluidState,
+ paramCache,
+ phaseIdx));
+
+ if (setEnthalpy)
+ fluidState.setEnthalpy(phaseIdx,
+ FluidSystem::enthalpy(fluidState,
+ paramCache,
+ phaseIdx));
+ }
+ }
+};
+
+} // end namespace Dumux
+
+#endif
diff --git a/dumux/material/constraintsolvers/miscible2pnccomposition.hh b/dumux/material/constraintsolvers/miscible2pnccomposition.hh
new file mode 100644
index 0000000000..8d51d7c48f
--- /dev/null
+++ b/dumux/material/constraintsolvers/miscible2pnccomposition.hh
@@ -0,0 +1,243 @@
+// -*- 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 Computes the composition of all phases of a N-phase,
+ * N-component fluid system assuming that all N phases are
+ * present
+ */
+#ifndef DUMUX_MISCIBLE_MULTIPHASE_COMPOSITION_HH
+#define DUMUX_MISCIBLE_MULTIPHASE_COMPOSITION_HH
+
+#include <dune/common/fvector.hh>
+#include <dune/common/fmatrix.hh>
+
+#include <dumux/common/exceptions.hh>
+#include <dumux/common/valgrind.hh>
+
+namespace Dumux {
+/*!
+ * \brief Computes the composition of all phases of a N-phase,
+ * N-component fluid system assuming that all N phases are
+ * present
+ *
+ * The constraint solver assumes the following quantities to be set:
+ *
+ * - temperatures of *all* phases
+ * - saturations of *all* phases
+ * - pressures of *all* phases
+ *
+ * It also assumes that the mole/mass fractions of all phases sum up
+ * to 1. After calling the solve() method the following quantities
+ * are calculated in addition:
+ *
+ * - temperature of *all* phases
+ * - density, molar density, molar volume of *all* phases
+ * - composition in mole and mass fractions and molarities of *all* phases
+ * - mean molar masses of *all* phases
+ * - fugacity coefficients of *all* components in *all* phases
+ * - if the setViscosity parameter is true, also dynamic viscosities of *all* phases
+ * - if the setInternalEnergy parameter is true, also specific enthalpies and internal energies of *all* phases
+ */
+template <class Scalar, class FluidSystem>
+class miscible2pncComposition
+{
+ static const int numPhases = FluidSystem::numPhases;
+ static const int numComponents = FluidSystem::numComponents;
+ static const int numMajorComponents = FluidSystem::numPhases;
+
+
+public:
+ /*!
+ * \brief Computes the composition of all phases of a M-phase,
+ * N-component fluid system assuming that all M phases are
+ * present
+ *
+ * It constraint solver assumes the following quantities to be set:
+ *
+ * - temperatures of *all* phases
+ * - saturations of *all* phases
+ * - pressures of *all* phases
+ *
+ * It also assumes that the mole/mass fractions of all phases sum up
+ * to 1. After calling the solve() method the following quantities
+ * are calculated in addition:
+ *
+ * - temperature of *all* phases
+ * - density, molar density, molar volume of *all* phases
+ * - composition in mole and mass fractions and molarities of *all* phases
+ * - mean molar masses of *all* phases
+ * - fugacity coefficients of *all* components in *all* phases
+ * - if the setViscosity parameter is true, also dynamic viscosities of *all* phases
+ * - if the setInternalEnergy parameter is true, also specific enthalpies and internal energies of *all* phases
+ */
+ template <class FluidState, class ParameterCache>
+ static void solve(FluidState &fluidState,
+ ParameterCache ¶mCache,
+ const int knownPhaseIdx,
+ bool setViscosity,
+ bool setInternalEnergy)
+ {
+#ifndef NDEBUG
+ // currently this solver can only handle fluid systems which
+ // assume ideal mixtures of all fluids. TODO: relax this
+ // (requires solving a non-linear system of equations, i.e. using
+ // newton method.)
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
+ assert(FluidSystem::isIdealMixture(phaseIdx));
+ }
+#endif
+
+ //get the known mole fractions from the fluidState
+ Dune::FieldVector<Scalar, numComponents-numMajorComponents> xKnown(0.0);
+ for (int knownCompIdx = 0; knownCompIdx < numComponents-numMajorComponents; ++knownCompIdx)
+ {
+ xKnown[knownCompIdx] = fluidState.moleFraction(knownPhaseIdx, knownCompIdx + numMajorComponents);
+ }
+
+ // compute all fugacity coefficients
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
+ paramCache.updatePhase(fluidState, phaseIdx);
+
+ // since we assume ideal mixtures, the fugacity
+ // coefficients of the components cannot depend on
+ // composition, i.e. the parameters in the cache are valid
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx) {
+ Scalar fugCoeff = FluidSystem::fugacityCoefficient(fluidState, paramCache, phaseIdx, compIdx);
+ fluidState.setFugacityCoefficient(phaseIdx, compIdx, fugCoeff);
+ }
+ }
+
+
+ // create the linear system of equations which defines the
+ // mole fractions
+ Dune::FieldMatrix<Scalar, numComponents*numPhases, numComponents*numPhases> M(0.0);
+ Dune::FieldVector<Scalar, numComponents*numPhases> x(0.0);
+ Dune::FieldVector<Scalar, numComponents*numPhases> b(0.0);
+
+ // assemble the equations expressing the assumption that the
+ // sum of all mole fractions in each phase must be 1
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
+ int rowIdx = numComponents*(numPhases - 1) + phaseIdx;
+ b[rowIdx] = 1.0;
+
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx) {
+ int colIdx = phaseIdx*numComponents + compIdx;
+
+ M[rowIdx][colIdx] = 1.0;
+ }
+ }
+ //set the additional equations for the numComponents-numMajorComponents
+ //Components, of which the molefractions are known,
+ //to molefraction(knownCompIdx)=xKnown
+ for(int knownCompIdx = 0; knownCompIdx < numComponents-numMajorComponents; ++knownCompIdx)
+ {
+ int rowIdx = numComponents + numPhases + knownCompIdx;
+ int colIdx = knownPhaseIdx*numComponents + knownCompIdx + numMajorComponents;
+ M[rowIdx][colIdx] = 1.0;
+ b[rowIdx] = xKnown[knownCompIdx];
+ }
+
+ // assemble the equations expressing the fact that the
+ // fugacities of each component is equal in all phases
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx) {
+ Scalar entryCol1 =
+ fluidState.fugacityCoefficient(/*phaseIdx=*/0, compIdx)
+ * fluidState.pressure(/*phaseIdx=*/0);
+ int col1Idx = compIdx;
+
+ for (int phaseIdx = 1; phaseIdx < numPhases; ++phaseIdx) {
+ int rowIdx = (phaseIdx - 1)*numComponents + compIdx;
+ int col2Idx = phaseIdx*numComponents + compIdx;
+
+ Scalar entryCol2 =
+ fluidState.fugacityCoefficient(phaseIdx, compIdx)
+ * fluidState.pressure(phaseIdx);
+
+ M[rowIdx][col1Idx] = entryCol1;
+ M[rowIdx][col2Idx] = -entryCol2;
+ }
+ }
+
+ //preconditioning of M to reduce condition number
+ //prevents matrix meeting dune's singularity criteria
+ for (int compIdx = 0; compIdx < numComponents; compIdx++)
+ {
+ if (compIdx < numMajorComponents)
+ {
+ for (int colIdx = 0; colIdx < numPhases*numComponents; colIdx++)
+ {
+ //Multiply row of main component (Raoult's Law) with 10e-5 (order of magn. of pressure)
+ M[compIdx][colIdx] *= 10e-5;
+ }
+ } else {
+ for (int colIdx = 0; colIdx < numPhases*numComponents; colIdx++)
+ {
+ //Multiply row of sec. components (Henry's Law) with 10e-9 (order of magn. of Henry constant)
+ M[compIdx][colIdx] *= 10e-9;
+ }
+ }
+ }
+// std::cout << "M_: "<< M << std::endl;
+// std::cout << "b_: "<< b << std::endl;
+
+ // solve for all mole fractions
+ M.solve(x, b);
+
+// std::cout << "x_: "<< x << std::endl;
+
+ // In case known mole fraction is set to zero in problem the system determines unrealistic mole fractions
+ //resetting the mole fractions to zero again
+// if(fluidState.moleFraction(knownPhaseIdx, numMajorComponents)== 0.0);
+// for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
+// int rowIdx = phaseIdx*numComponents + numMajorComponents;
+// x[rowIdx]= 0.0;
+// }
+
+// std::cout << "x_1: "<< x << std::endl;
+
+ // set all mole fractions and the the additional quantities in
+ // the fluid state
+ for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
+ for (int compIdx = 0; compIdx < numComponents; ++compIdx) {
+ int rowIdx = phaseIdx*numComponents + compIdx;
+ fluidState.setMoleFraction(phaseIdx, compIdx, x[rowIdx]);
+ }
+ paramCache.updateComposition(fluidState, phaseIdx);
+
+ Scalar value = FluidSystem::density(fluidState, paramCache, phaseIdx);
+ fluidState.setDensity(phaseIdx, value);
+
+ if (setViscosity) {
+ value = FluidSystem::viscosity(fluidState, paramCache, phaseIdx);
+ fluidState.setViscosity(phaseIdx, value);
+ }
+
+ if (setInternalEnergy) {
+ value = FluidSystem::enthalpy(fluidState, paramCache, phaseIdx);
+ fluidState.setEnthalpy(phaseIdx, value);
+ }
+ }
+ }
+};
+
+} // end namespace Dumux
+
+#endif
diff --git a/dumux/material/fluidsystems/brineairfluidsystem.hh b/dumux/material/fluidsystems/brineairfluidsystem.hh
index 2e55807675..7d90af9dc8 100644
--- a/dumux/material/fluidsystems/brineairfluidsystem.hh
+++ b/dumux/material/fluidsystems/brineairfluidsystem.hh
@@ -33,7 +33,7 @@
#include <dumux/material/components/brine_varSalinity.hh>
#include <dumux/material/components/air.hh>
#include <dumux/material/components/h2o.hh>
-#include <dumux/material/components/NaCl.hh>
+#include <dumux/material/components/nacl.hh>
#include <dumux/material/binarycoefficients/brine_air.hh>
#include <dumux/material/binarycoefficients/h2o_air.hh>
#include <dumux/material/components/tabulatedcomponent.hh>
diff --git a/test/implicit/2pncmin/CMakeLists.txt b/test/implicit/2pncmin/CMakeLists.txt
new file mode 100644
index 0000000000..eceecef072
--- /dev/null
+++ b/test/implicit/2pncmin/CMakeLists.txt
@@ -0,0 +1,9 @@
+add_input_file_links()
+
+# isothermal tests
+add_dumux_test(test_box2pncmin test_box2pncmin test_box2pncmin.cc
+ python ${CMAKE_SOURCE_DIR}/bin/runtest.py
+ --script fuzzy
+ --files ${CMAKE_SOURCE_DIR}/test/references/injectionbox2pncmin-reference.vtu
+ ${CMAKE_CURRENT_BINARY_DIR}/injectionbox-00016.vtu
+ --command "${CMAKE_CURRENT_BINARY_DIR}/test_box2pncmin")
\ No newline at end of file
diff --git a/test/implicit/2pncmin/dissolutionproblem.hh b/test/implicit/2pncmin/dissolutionproblem.hh
new file mode 100644
index 0000000000..26354e3391
--- /dev/null
+++ b/test/implicit/2pncmin/dissolutionproblem.hh
@@ -0,0 +1,458 @@
+// -*- 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 Problem where water is injected in a for flushing precipitated salt clogging a gas reservoir.
+ */
+#ifndef DUMUX_DISSOLUTION_PROBLEM_HH
+#define DUMUX_DISSOLUTION_PROBLEM_HH
+
+#include <dune/grid/io/file/dgfparser/dgfyasp.hh>
+
+#include <dumux/implicit/2pncmin/2pncminmodel.hh>
+#include <dumux/implicit/common/implicitporousmediaproblem.hh>
+#include<dumux/material/fluidsystems/brineairfluidsystem.hh>
+
+#include "dissolutionspatialparams.hh"
+
+namespace Dumux
+{
+
+template <class TypeTag>
+class DissolutionProblem;
+
+namespace Properties
+{
+NEW_TYPE_TAG(DissolutionProblem, INHERITS_FROM(TwoPNCMin, DissolutionSpatialparams));
+NEW_TYPE_TAG(DissolutionBoxProblem, INHERITS_FROM(BoxModel, DissolutionProblem));
+NEW_TYPE_TAG(DissolutionCCProblem, INHERITS_FROM(CCModel, DissolutionProblem));
+
+// Set the grid type
+SET_TYPE_PROP(DissolutionProblem, Grid, Dune::UGGrid<2>);
+
+// Set the problem property
+SET_TYPE_PROP(DissolutionProblem, Problem, Dumux::DissolutionProblem<TypeTag>);
+
+// Set fluid configuration
+SET_PROP(DissolutionProblem, FluidSystem)
+{
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef Dumux::FluidSystems::BrineAir<Scalar, Dumux::H2O<Scalar>, true/*useComplexrelations=*/> type;
+};
+
+// Set the spatial parameters
+SET_TYPE_PROP(DissolutionProblem, SpatialParams, Dumux::DissolutionSpatialparams<TypeTag>);
+
+// Enable gravity
+SET_BOOL_PROP(DissolutionProblem, ProblemEnableGravity, true);
+
+//Set properties here to override the default property settings in the model.
+SET_INT_PROP(DissolutionProblem, ReplaceCompEqIdx, 1);
+SET_INT_PROP(DissolutionProblem, Formulation, TwoPNCFormulation::pgSl);
+}
+
+/*!
+ * \ingroup TwoPNCMinModel
+ * \ingroup ImplicitTestProblems
+ * \brief Problem where water is injected to flush precipitated salt in a gas reservoir clogged due to precipitated salt.
+ *
+ * The domain is sized 10m times 20m and contains a vertical low-permeable layer of precipitated salt near an extraction well.
+ *
+ * To flush this precipitated salt, water is injected through the gas extraction well in order to dissolve the precipitated salt increasing the permeability and thereby achieving high gas extraction rates later. Here, the system is assumed to be isothermal.
+ * Neumann no-flow boundary condition is applied at the top and bottom boundary and Dirichlet boundary condition is used on the right and left sides.
+ * The injected water phase migrates downwards due to increase in density as the precipitated salt dissolves.
+ *
+ * The model uses mole fractions of dissolved components and volume fractions of precipitated salt as primary variables. Make sure that the according units are used in the problem setup.
+ *
+ * This problem uses the \ref TwoPNCMinModel.
+ *
+ * To run the simulation execute the following line in shell:
+ * <tt>./test_box2pncmin</tt>
+ */
+template <class TypeTag>
+class DissolutionProblem : public ImplicitPorousMediaProblem<TypeTag>
+{
+ typedef ImplicitPorousMediaProblem<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;
+ typedef typename GET_PROP_TYPE(TypeTag, VolumeVariables) VolumeVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
+
+ enum {
+
+ pressureIdx = Indices::pressureIdx,
+ switchIdx = Indices::switchIdx, //Saturation
+ xlNaClIdx = FluidSystem::NaClIdx,
+ precipNaClIdx = FluidSystem::numComponents,
+
+ //Indices of the components
+ wCompIdx = FluidSystem::H2OIdx,
+ nCompIdx = FluidSystem::AirIdx,
+ NaClIdx = FluidSystem::NaClIdx,
+
+ //Indices of the phases
+ wPhaseIdx = FluidSystem::wPhaseIdx,
+ nPhaseIdx = FluidSystem::nPhaseIdx,
+ sPhaseIdx = FluidSystem::sPhaseIdx,
+
+ //Index of the primary component of G and L phase
+ conti0EqIdx = Indices::conti0EqIdx,
+ contiTotalMassIdx = conti0EqIdx + FluidSystem::AirIdx,
+ precipNaClEqIdx = Indices::conti0EqIdx + FluidSystem::numComponents,
+ contiWEqIdx = conti0EqIdx + FluidSystem::H2OIdx,
+
+ // Phase State
+ wPhaseOnly = Indices::wPhaseOnly,
+ nPhaseOnly = Indices::nPhaseOnly,
+ bothPhases = Indices::bothPhases,
+
+ // Grid and world dimension
+ dim = GridView::dimension,
+ dimWorld = GridView::dimensionworld,
+ };
+
+
+ typedef typename GET_PROP_TYPE(TypeTag, PrimaryVariables) PrimaryVariables;
+ typedef typename GET_PROP_TYPE(TypeTag, BoundaryTypes) BoundaryTypes;
+ typedef typename GET_PROP_TYPE(TypeTag, TimeManager) TimeManager;
+ typedef typename GET_PROP_TYPE(TypeTag, ElementVolumeVariables) ElementVolumeVariables;
+
+ typedef typename GET_PROP_TYPE(TypeTag, GridCreator) GridCreator;
+ 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 Dune::FieldVector<Scalar, dimWorld> GlobalPosition;
+
+public:
+ DissolutionProblem(TimeManager &timeManager,
+ const GridView &gridView)
+ : ParentType(timeManager, GridCreator::grid().leafGridView())
+ {
+ try
+ {
+ outerSalinity_ = GET_RUNTIME_PARAM_FROM_GROUP(TypeTag, Scalar, Problem, OuterSalinity);
+ saltPorosity_ = GET_RUNTIME_PARAM_FROM_GROUP(TypeTag, Scalar, Problem, SaltPorosity);
+ temperature_ = GET_RUNTIME_PARAM_FROM_GROUP(TypeTag, Scalar, Problem, Temperature);
+ reservoirPressure_ = GET_RUNTIME_PARAM_FROM_GROUP(TypeTag, Scalar, Problem, ReservoirPressure);
+ initLiqSaturation_ = GET_RUNTIME_PARAM_FROM_GROUP(TypeTag, Scalar, Problem, LiquidSaturation);
+ initPrecipitatedSalt1_ = GET_RUNTIME_PARAM_FROM_GROUP(TypeTag, Scalar, Problem, InitPrecipitatedSalt1);
+ initPrecipitatedSalt2_ = GET_RUNTIME_PARAM_FROM_GROUP(TypeTag, Scalar, Problem, InitPrecipitatedSalt2);
+
+ outerLiqSaturation_ = GET_RUNTIME_PARAM_FROM_GROUP(TypeTag, Scalar, Problem, OuterLiqSaturation);
+ innerLiqSaturation_ = GET_RUNTIME_PARAM_FROM_GROUP(TypeTag, Scalar, Problem, InnerLiqSaturation);
+ innerSalinity_ = GET_RUNTIME_PARAM_FROM_GROUP(TypeTag, Scalar, Problem, InnerSalinity);
+ innerPressure_ = GET_RUNTIME_PARAM_FROM_GROUP(TypeTag, Scalar, Problem, InnerPressure);
+ outerPressure_ = GET_RUNTIME_PARAM_FROM_GROUP(TypeTag, Scalar, Problem, OuterPressure);
+ reservoirSaturation_ = GET_RUNTIME_PARAM_FROM_GROUP(TypeTag, Scalar, Problem, reservoirSaturation);
+
+ nTemperature_ = GET_RUNTIME_PARAM_FROM_GROUP(TypeTag, int, FluidSystem, NTemperature);
+ nPressure_ = GET_RUNTIME_PARAM_FROM_GROUP(TypeTag, int, FluidSystem, NPressure);
+ pressureLow_ = GET_RUNTIME_PARAM_FROM_GROUP(TypeTag, Scalar, FluidSystem, PressureLow);
+ pressureHigh_ = GET_RUNTIME_PARAM_FROM_GROUP(TypeTag, Scalar, FluidSystem, PressureHigh);
+ temperatureLow_ = GET_RUNTIME_PARAM_FROM_GROUP(TypeTag, Scalar, FluidSystem, TemperatureLow);
+ temperatureHigh_ = GET_RUNTIME_PARAM_FROM_GROUP(TypeTag, Scalar, FluidSystem, TemperatureHigh);
+ name_ = GET_RUNTIME_PARAM_FROM_GROUP(TypeTag, std::string, Problem, OutputName);
+ freqMassOutput_ = GET_RUNTIME_PARAM_FROM_GROUP(TypeTag, int, Output, FreqMassOutput);
+ storageLastTimestep_ = Scalar(0);
+ lastMassOutputTime_ = Scalar(0);
+
+ outfile.open("evaporation.out");
+ outfile << "time; evaporationRate" << std::endl;
+
+ }
+ catch (Dumux::ParameterException &e) {
+ std::cerr << e << ". Abort!\n";
+ exit(1) ;
+ }
+ catch (...) {
+ std::cerr << "Unknown exception thrown!\n";
+ exit(1);
+ }
+ FluidSystem::init(/*Tmin=*/temperatureLow_,
+ /*Tmax=*/temperatureHigh_,
+ /*nT=*/nTemperature_,
+ /*pmin=*/pressureLow_,
+ /*pmax=*/pressureHigh_,
+ /*np=*/nPressure_);
+ }
+
+ void init()
+ {
+ ParentType::init();
+ }
+
+ ~DissolutionProblem()
+ {
+ outfile.close();
+ }
+
+ bool shouldWriteOutput() const
+ {
+ return
+ this->timeManager().timeStepIndex() % 1 == 0 ||
+ this->timeManager().episodeWillBeOver() ||
+ this->timeManager().willBeFinished();
+ }
+
+
+ /*!
+ * \name Problem parameters
+ */
+
+
+ /*!
+ * \brief The problem name.
+ *
+ * This is used as a prefix for files generated by the simulation.
+ */
+ const std::string name() const
+ { return name_; }
+
+ /*!
+ * \brief Returns the temperature within the domain.
+ *
+ * This problem assumes a temperature of 10 degrees Celsius.
+ */
+ Scalar temperature() const
+ { return temperature_; };
+
+ /*!
+ * \name Boundary conditions
+ */
+ // \{
+
+ /*!
+ * \brief Specifies which kind of boundary condition should be
+ * used for which equation on a given boundary segment.
+ */
+ void boundaryTypes(BoundaryTypes &bcTypes, const Vertex &vertex) const
+ {
+ const GlobalPosition &globalPos = vertex.geometry().center();
+
+ Scalar rmax = this->bBoxMax()[0]; // outerRadius_;
+ Scalar rmin = this->bBoxMin()[0]; // well radius equal to the first value of the dgf grid file
+
+ //Neumann
+ bcTypes.setAllNeumann();
+
+ //Constant pressure at reservoir boundary (Dirichlet condition)
+ if(globalPos[0] > rmax - eps_)
+ bcTypes.setAllDirichlet();
+
+ //Constant pressure at well (Dirichlet condition)
+
+ if(globalPos[0] < rmin + eps_)
+ bcTypes.setAllDirichlet();
+ }
+
+ /*!
+ * \brief Evaluate the boundary conditions for a dirichlet
+ * boundary segment.
+ *
+ * For this method, the \a values parameter stores primary variables.
+ */
+ void dirichlet(PrimaryVariables &values, const Vertex &vertex) const
+ {
+ const GlobalPosition &globalPos = vertex.geometry().center();
+
+ Scalar rmax = this->bBoxMax()[0];
+ Scalar rmin = this->bBoxMin()[0];
+
+ if(globalPos[0] > rmax - eps_)
+ {
+ values[pressureIdx] = outerPressure_ ; // Outer boundary pressure bar
+ values[switchIdx] = outerLiqSaturation_; // Saturation outer boundary
+ values[xlNaClIdx] = massTomoleFrac_(outerSalinity_);// mole fraction salt
+ values[precipNaClIdx] = 0.0;// precipitated salt
+ }
+
+ if(globalPos[0] < rmin + eps_)
+ {
+
+ values[pressureIdx] = innerPressure_ ; // Inner boundary pressure bar
+ values[switchIdx] = innerLiqSaturation_; // Saturation inner boundary
+ values[xlNaClIdx] = massTomoleFrac_(innerSalinity_);// mole fraction salt
+ values[precipNaClIdx] = 0.0;// precipitated salt
+ }
+ }
+
+ /*!
+ * \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 neumann(PrimaryVariables &values,
+ const Element &element,
+ const FVElementGeometry &fvGeometry,
+ const Intersection &is,
+ int scvIdx,
+ int boundaryFaceIdx) const
+ {
+ values = 0.0;
+ }
+
+ /*!
+ * \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,
+ int scvIdx) const
+ {
+ const GlobalPosition &globalPos = element.geometry().corner(scvIdx);
+
+ values[pressureIdx] = reservoirPressure_;
+ values[switchIdx] = initLiqSaturation_; // Sl primary variable
+ values[xlNaClIdx] = massTomoleFrac_(outerSalinity_); // mole fraction
+ if(globalPos[0]>5.0 && globalPos[0]< 20.0)
+ values[precipNaClIdx] = initPrecipitatedSalt2_; // [kg/m^3]
+ else
+ values[precipNaClIdx] = initPrecipitatedSalt1_; // [kg/m^3]
+ }
+
+ /*!
+ * \name Volume terms
+ */
+ // \{
+
+ /*!
+ * \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 solDependentSource(PrimaryVariables &source,
+ const Element &element,
+ const FVElementGeometry &fvGeometry,
+ int scvIdx, const ElementVolumeVariables &elemVolVars) const
+ {
+// std::cout<<"Hallo there :)"<<std::endl;
+ source = 0;
+ const VolumeVariables &volVars = elemVolVars[scvIdx];
+ Scalar moleFracNaCl_lPhase = volVars.fluidState().moleFraction(wPhaseIdx, NaClIdx);
+ Scalar moleFracNaCl_gPhase = volVars.fluidState().moleFraction(nPhaseIdx, NaClIdx);
+ Scalar massFracNaCl_Max_lPhase = this->spatialParams().SolubilityLimit();
+ Scalar moleFracNaCl_Max_lPhase = massTomoleFrac_(massFracNaCl_Max_lPhase);
+ Scalar moleFracNaCl_Max_gPhase = moleFracNaCl_Max_lPhase / volVars.fluidState().pressure(nPhaseIdx);
+
+ // liquid phase
+ Scalar precipSalt = volVars.porosity() * volVars.molarDensity(wPhaseIdx)
+ * volVars.saturation(wPhaseIdx)
+ * pow(std::abs(moleFracNaCl_lPhase - moleFracNaCl_Max_lPhase), 1.0);
+
+ if (moleFracNaCl_lPhase < moleFracNaCl_Max_lPhase)
+ precipSalt *= -1;
+
+ // gas phase
+ if (moleFracNaCl_gPhase > moleFracNaCl_Max_gPhase)
+ precipSalt += volVars.porosity() * volVars.molarDensity(nPhaseIdx)
+ * volVars.saturation(nPhaseIdx)
+ * pow(std::abs(moleFracNaCl_gPhase - moleFracNaCl_Max_gPhase), 1.0);
+
+ // make sure we don't disolve more salt than previously precipitated
+ if (precipSalt*this->timeManager().timeStepSize() + volVars.precipitateVolumeFraction(sPhaseIdx)* volVars.molarDensity(sPhaseIdx)< 0)
+ precipSalt = - volVars.precipitateVolumeFraction(sPhaseIdx)* volVars.molarDensity(sPhaseIdx)/this->timeManager().timeStepSize();
+
+ if (volVars.precipitateVolumeFraction(sPhaseIdx) >= volVars.InitialPorosity() - saltPorosity_ && precipSalt > 0)
+ precipSalt = 0;
+
+ source[conti0EqIdx + NaClIdx] += -precipSalt;
+ source[precipNaClEqIdx] += precipSalt;
+
+ Valgrind::CheckDefined(source);
+ }
+ /*!
+ * \brief Return the initial phase state inside a control volume.
+ */
+ int initialPhasePresence(const Vertex &vert,
+ int &globalIdx,
+ const GlobalPosition &globalPos) const
+ {
+ return bothPhases;
+ }
+
+ void preTimeStep()
+ {}
+
+
+ void postTimeStep()
+ {}
+
+ void episodeEnd()
+ {}
+
+private:
+
+ /*!
+ * \brief Returns the molality of NaCl (mol NaCl / kg water) for a given mole fraction
+ *
+ * \param XlNaCl the XlNaCl [kg NaCl / kg solution]
+ */
+ static Scalar massTomoleFrac_(Scalar XlNaCl)
+ {
+ const Scalar Mw = 18.015e-3; /* molecular weight of water [kg/mol] */
+ const Scalar Ms = 58.44e-3; /* molecular weight of NaCl [kg/mol] */
+
+ const Scalar X_NaCl = XlNaCl;
+ /* XlNaCl: conversion from mass fraction to mol fraction */
+ const Scalar xlNaCl = -Mw * X_NaCl / ((Ms - Mw) * X_NaCl - Ms);
+ return xlNaCl;
+ }
+
+ int nTemperature_;
+ int nPressure_;
+ int freqMassOutput_;
+ PrimaryVariables storageLastTimestep_;
+ Scalar lastMassOutputTime_;
+ std::string name_;
+
+ Scalar pressureLow_, pressureHigh_;
+ Scalar temperatureLow_, temperatureHigh_;
+ Scalar outerSalinity_;
+ Scalar saltPorosity_;
+ Scalar reservoirPressure_;
+ Scalar innerPressure_;
+ Scalar outerPressure_;
+ Scalar temperature_;
+ Scalar initLiqSaturation_;
+ Scalar outerLiqSaturation_;
+ Scalar innerLiqSaturation_;
+ Scalar initPrecipitatedSalt1_;
+ Scalar initPrecipitatedSalt2_;
+ Scalar innerSalinity_;
+ static constexpr Scalar eps_ = 1e-6;
+ Scalar reservoirSaturation_;
+ std::ofstream outfile;
+
+};
+} //end namespace
+
+#endif
diff --git a/test/implicit/2pncmin/dissolutionspatialparams.hh b/test/implicit/2pncmin/dissolutionspatialparams.hh
new file mode 100644
index 0000000000..7b0b959faa
--- /dev/null
+++ b/test/implicit/2pncmin/dissolutionspatialparams.hh
@@ -0,0 +1,218 @@
+// -*- 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_INJECTION_SPATIAL_PARAMETERS_HH
+#define DUMUX_INJECTION_SPATIAL_PARAMETERS_HH
+
+#include <dumux/implicit/2pncmin/2pncminindices.hh>
+#include <dumux/material/spatialparams/implicitspatialparams.hh>
+#include <dumux/material/fluidmatrixinteractions/2p/linearmaterial.hh>
+#include <dumux/material/fluidmatrixinteractions/2p/regularizedbrookscorey.hh>
+#include <dumux/material/fluidmatrixinteractions/2p/efftoabslaw.hh>
+
+namespace Dumux
+{
+//forward declaration
+template<class TypeTag>
+class DissolutionSpatialparams;
+
+namespace Properties
+{
+// The spatial parameters TypeTag
+NEW_TYPE_TAG(DissolutionSpatialparams);
+
+// Set the spatial parameters
+SET_TYPE_PROP(DissolutionSpatialparams, SpatialParams, Dumux::DissolutionSpatialparams<TypeTag>);
+
+// Set the material Law
+SET_PROP(DissolutionSpatialparams, MaterialLaw)
+{
+private:
+ // define the material law which is parameterized by effective
+ // saturations
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef RegularizedBrooksCorey<Scalar> EffMaterialLaw;
+public:
+ // define the material law parameterized by absolute saturations
+ typedef EffToAbsLaw<EffMaterialLaw> type;
+};
+}
+
+/**
+ * \brief Definition of the spatial parameters for the brine-co2 problem
+ *
+ */
+template<class TypeTag>
+class DissolutionSpatialparams : public ImplicitSpatialParams<TypeTag>
+{
+ typedef ImplicitSpatialParams<TypeTag> ParentType;
+ typedef typename GET_PROP_TYPE(TypeTag, Grid) Grid;
+ typedef typename GET_PROP_TYPE(TypeTag, GridView) GridView;
+ typedef typename GET_PROP_TYPE(TypeTag, Scalar) Scalar;
+ typedef typename GET_PROP_TYPE(TypeTag, MaterialLawParams) MaterialLawParams;
+ typedef typename GET_PROP_TYPE(TypeTag, FluidSystem) FluidSystem;
+ typedef typename Grid::ctype CoordScalar;
+ enum {
+ dim=GridView::dimension,
+ dimWorld=GridView::dimensionworld,
+ };
+
+ typedef typename GET_PROP_TYPE(TypeTag, Indices) Indices;
+ enum {
+ wPhaseIdx = FluidSystem::wPhaseIdx,
+ nPhaseIdx = FluidSystem::nPhaseIdx,
+ };
+
+ typedef Dune::FieldVector<CoordScalar,dimWorld> GlobalPosition;
+ typedef Dune::FieldMatrix<CoordScalar, dimWorld, dimWorld> Tensor;
+
+ typedef typename GET_PROP_TYPE(TypeTag, SolutionVector) SolutionVector;
+
+ 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, FVElementGeometry) FVElementGeometry;
+ typedef typename GridView::template Codim<0>::Entity Element;
+ typedef typename GridView::template Codim<dim>::Iterator VertexIterator;
+
+ typedef std::vector<Scalar> PermeabilityType;
+ typedef std::vector<MaterialLawParams> MaterialLawParamsVector;
+ typedef typename GridView::template Codim<0>::Iterator ElementIterator;
+
+ typedef typename GET_PROP(TypeTag, ParameterTree) ParameterTree;
+
+public:
+ DissolutionSpatialparams(const GridView &gridView)
+ : ParentType(gridView),
+ K_(0)
+ {
+ //set main diagonal entries of the permeability tensor to a value
+ //setting to one value means: isotropic, homogeneous
+ for (int i = 0; i < dim; i++)
+ // K_[i][i] = 1e-7;
+ K_[i][i] = 2.23e-14;//2.23e-14;
+
+ // residual saturations
+ materialParams_.setSwr(0.2);
+ materialParams_.setSnr(1E-3);
+
+ //parameters of Brooks & Corey Law
+ //materialParams_.setPe(500.0);
+ materialParams_.setPe(500);
+ materialParams_.setLambda(2);
+ }
+
+ ~DissolutionSpatialparams()
+ {}
+ /*!
+ * \brief Update the spatial parameters with the flow solution
+ * after a timestep.
+ *
+ * \param globalSolution The global solution vector
+ */
+ void update(const SolutionVector &globalSolution)
+ {
+ };
+
+ /*! Intrinsic permeability tensor K \f$[m^2]\f$ depending
+ * on the position in the domain
+ *
+ * \param element The finite volume element
+ * \param fvGeometry The finite-volume geometry in the box scheme
+ * \param scvIdx The local vertex index
+ *
+ * Alternatively, the function intrinsicPermeabilityAtPos(const GlobalPosition& globalPos)
+ * could be defined, where globalPos is the vector including the global coordinates
+ * of the finite volume.
+ */
+ const Dune::FieldMatrix<Scalar, dim, dim> &intrinsicPermeability(const Element &element, /*@\label{tutorial-coupled:permeability}@*/
+ const FVElementGeometry &fvGeometry,
+ const int scvIdx) const
+ { return K_; }
+
+ /*!
+ * \brief Define the porosity \f$[-]\f$ of the spatial parameters
+ *
+ * \param elemVolVars The data defined on the sub-control volume
+ * \param element The finite element
+ * \param fvGeometry The finite volume geometry
+ * \param scvIdx The local index of the sub-control volume where
+ * the porosity needs to be defined
+ */
+ double porosityMin(const Element &element,
+ const FVElementGeometry &fvGeometry,
+ int scvIdx) const
+ {
+ return 1e-5;
+ }
+
+ /*!
+ * \brief Define the minimum porosity \f$[-]\f$ after clogging caused by mineralization
+ *
+ * \param elemVolVars The data defined on the sub-control volume
+ * \param element The finite element
+ * \param fvGeometry The finite volume geometry
+ * \param scvIdx The local index of the sub-control volume where
+ * the porosity needs to be defined
+ */
+ double porosity(const Element &element,
+ const FVElementGeometry &fvGeometry,
+ int scvIdx) const
+ {
+ return 0.11;
+ }
+
+
+ double solidity(const Element &element,
+ const FVElementGeometry &fvGeometry,
+ int scvIdx) const
+ {
+
+ return 1 - 0.11;
+ }
+
+ double SolubilityLimit() const
+ {
+ return 0.26;
+ }
+
+ double theta(const Element &element,
+ const FVElementGeometry &fvGeometry,
+ int scvIdx) const
+ {
+ return 10.0;
+ }
+
+
+ // return the brooks-corey context depending on the position
+ const MaterialLawParams& materialLawParams(const Element &element,
+ const FVElementGeometry &fvGeometry,
+ int scvIdx) const
+ {
+ return materialParams_;
+ }
+
+private:
+ Dune::FieldMatrix<Scalar, dim, dim> K_;
+ MaterialLawParams materialParams_;
+};
+
+}
+
+#endif
diff --git a/test/implicit/2pncmin/grids/test_2pncmin.dgf b/test/implicit/2pncmin/grids/test_2pncmin.dgf
new file mode 100644
index 0000000000..3235f24992
--- /dev/null
+++ b/test/implicit/2pncmin/grids/test_2pncmin.dgf
@@ -0,0 +1,11 @@
+DGF
+Interval
+0 0 % first corner
+40 10 % second corner
+20 10% 1 cells in x and 1 in y direction
+#
+
+BOUNDARYDOMAIN
+default 1 % all boundaries have id 1
+#BOUNDARYDOMAIN
+# unitcube.dgf
diff --git a/test/implicit/2pncmin/test_box2pncmin.cc b/test/implicit/2pncmin/test_box2pncmin.cc
new file mode 100644
index 0000000000..2229d57c01
--- /dev/null
+++ b/test/implicit/2pncmin/test_box2pncmin.cc
@@ -0,0 +1,69 @@
+// -*- 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 Test for the two-phase n-component isothermal box model.
+ */
+#include "config.h"
+#include "dissolutionproblem.hh"
+#include <dune/grid/io/file/dgfparser.hh>
+#include <iostream>
+#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-FluidSystem.NTemperature Number of tabularization entries [-] \n"
+ "\t-FluidSystem.NPressure Number of tabularization entries [-] \n"
+ "\t-FluidSystem.PressureLow Low end for tabularization of fluid properties [Pa] \n"
+ "\t-FluidSystem.PressureHigh High end for tabularization of fluid properties [Pa] \n"
+ "\t-FluidSystem.TemperatureLow Low end for tabularization of fluid properties [Pa] \n"
+ "\t-FluidSystem.TemperatureHigh High end for tabularization of fluid properties [Pa] \n"
+ "\t-SimulationControl.Name The name of the output files [-] \n"
+ "\t-InitialConditions.Temperature Initial temperature in the reservoir [K] \n"
+ "\t-InitialConditions.DepthBOR Depth below ground surface [m] \n";
+
+ std::cout << errorMessageOut
+ << "\n";
+ }
+}
+
+int main(int argc, char** argv)
+{
+ typedef TTAG(DissolutionBoxProblem) ProblemTypeTag;
+ return Dumux::start<ProblemTypeTag>(argc, argv, usage);
+}
diff --git a/test/implicit/2pncmin/test_box2pncmin.input b/test/implicit/2pncmin/test_box2pncmin.input
new file mode 100644
index 0000000000..005619515b
--- /dev/null
+++ b/test/implicit/2pncmin/test_box2pncmin.input
@@ -0,0 +1,67 @@
+# Parameter file for tutorial_coupled.
+# Everything behind a '#' is a comment.
+# Type "./tutorial_coupled --help" for more information.
+
+# Mandatory arguments
+
+
+[TimeManager]
+TEnd = 1e7 # duration of the simulation [s]
+DtInitial = 10# initial time step size [s]
+MaxTimeStepSize = 50000
+
+
+[Grid]
+File = grids/test_2pncmin.dgf
+
+[FluidSystem]
+NTemperature = 100 # [-] number of tabularization entries
+NPressure = 100 # [-] number of tabularization entries
+PressureLow = 1e4 # [Pa] low end for tabularization of fluid properties
+PressureHigh = 3e6 # [Pa] high end for tabularization of fluid properties
+TemperatureLow = 273.15 # [Pa] low end for tabularization of fluid properties
+TemperatureHigh = 400.00 # [Pa] high end for tabularization of fluid properties
+
+[Problem]
+OutputName = injectionbox # [-] name for output files
+ReservoirPressure = 11E6 # [pa] Initial reservoir pressure
+reservoirSaturation = 0.4 # [-] Initial saturation
+solidity = 0.0 # [-] Initial solid salt precipitate
+Temperature = 418.15 # [K] reservoir temperature
+InnerPressure = 12E6 # [pa]
+InnerLiqSaturation = 0.95 # [-] liquid saturation at inner boundary
+InnerSalinity = 0.0001 # [-] salinity of inner liquid
+OuterPressure = 11E6 # [Pa] reservoir boundary pressure
+OuterLiqSaturation = 0.2 # [-] liquid saturation at outer boundary
+OuterSalinity = 0.4 # [-] Initial salinity
+LiquidSaturation = 0.4 # [-] initial liquid saturation
+InitPrecipitatedSalt1 = 0.0 # [-] initial precipitated salt
+InitPrecipitatedSalt2 = 0.05 # [-] initial precipitated salt in the blocked part
+
+[SpatialParams]
+SolubilityLimit = 0.295 # [-] solubility limit of salt in brine
+Porosity = 0.11 # [-] initial porosity
+Permeability = 2.23E-14
+IrreducibleLiqSat = 0.2 # [-] irreducible liquid saturation
+IrreducibleGasSat = 0.001 # [-] irreducible gas saturation
+Pentry1 = 0.0 # [pa]
+BCLambda1 = 2 # [-]
+
+[Vtk]
+AddVelocity = 1 # Add extra information
+VtuWritingFreq = 1 # 1: write a vtu file at every timestep, 2: write a vtu file every second timestep ...
+
+[LinearSolver]
+ResidualReduction = 1e-6
+
+[TimeManager]
+FreqOutput = 100 # frequency of VTK output
+WriteRestartFile = 1 # Boolean. Should restart files be written? (1) Yes (0) No
+
+[Output]
+#Frequency of restart file, flux and VTK output
+FreqRestart = 1000 # how often restart files are written out
+FreqOutput = 50 # frequency of VTK output
+FreqMassOutput = 2 # frequency of mass and evaporation rate output (Darcy)
+FreqFluxOutput = 1000 # frequency of detailed flux output
+FreqVaporFluxOutput = 2 # frequency of summarized flux output
diff --git a/test/implicit/CMakeLists.txt b/test/implicit/CMakeLists.txt
index 57f10d5c73..979ce3a7cf 100644
--- a/test/implicit/CMakeLists.txt
+++ b/test/implicit/CMakeLists.txt
@@ -2,6 +2,7 @@ add_subdirectory("1p")
add_subdirectory("1p2c")
add_subdirectory("2p")
add_subdirectory("2p2c")
+add_subdirectory("2pncmin")
add_subdirectory("2pdfm")
add_subdirectory("3p")
add_subdirectory("3p3c")
diff --git a/test/references/injectionbox2pncmin-reference.vtu b/test/references/injectionbox2pncmin-reference.vtu
new file mode 100644
index 0000000000..da420ec006
--- /dev/null
+++ b/test/references/injectionbox2pncmin-reference.vtu
@@ -0,0 +1,893 @@
+<?xml version="1.0"?>
+<VTKFile type="UnstructuredGrid" version="0.1" byte_order="LittleEndian">
+ <UnstructuredGrid>
+ <Piece NumberOfCells="200" NumberOfPoints="231">
+ <PointData Scalars="Sg" Vectors="velocityW">
+ <DataArray type="Float32" Name="Sg" NumberOfComponents="1" format="ascii">
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--
GitLab