porousmediumflow/3p3c/volumevariables.hh

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// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
// vi: set et ts=4 sw=4 sts=4:
//
// SPDX-FileCopyrightInfo: Copyright © DuMux Project contributors, see AUTHORS.md in root folder
// SPDX-License-Identifier: GPL-3.0-or-later
//
#ifndef DUMUX_3P3C_VOLUME_VARIABLES_HH
#define DUMUX_3P3C_VOLUME_VARIABLES_HH
 
#include <dumux/material/constants.hh>
#include <dumux/material/fluidstates/compositional.hh>
#include <dumux/material/constraintsolvers/computefromreferencephase.hh>
#include <dumux/material/constraintsolvers/misciblemultiphasecomposition.hh>
 
#include <dumux/porousmediumflow/volumevariables.hh>
#include <dumux/porousmediumflow/nonisothermal/volumevariables.hh>
#include <dumux/material/solidstates/updatesolidvolumefractions.hh>
#include <dumux/common/optionalscalar.hh>
 
#include "primaryvariableswitch.hh"
 
namespace Dumux {
 
namespace Detail {
// helper struct and function detecting if the fluid matrix interaction features a adsorptionModel() function
template <class FluidMatrixInteraction>
using AdsorptionModelDetector = decltype(std::declval<FluidMatrixInteraction>().adsorptionModel());
 
template<class FluidMatrixInteraction>
static constexpr bool hasAdsorptionModel()
{ return Dune::Std::is_detected<AdsorptionModelDetector, FluidMatrixInteraction>::value; }
 
}
 
template <class Traits>
class ThreePThreeCVolumeVariables
: public PorousMediumFlowVolumeVariables<Traits>
, public EnergyVolumeVariables<Traits, ThreePThreeCVolumeVariables<Traits> >
{
    using ParentType = PorousMediumFlowVolumeVariables<Traits>;
    using EnergyVolVars = EnergyVolumeVariables<Traits, ThreePThreeCVolumeVariables<Traits> >;
 
    using Scalar = typename Traits::PrimaryVariables::value_type;
    using PermeabilityType = typename Traits::PermeabilityType;
 
    using FS = typename Traits::FluidSystem;
    using MiscibleMultiPhaseComposition = Dumux::MiscibleMultiPhaseComposition<Scalar, FS>;
    using ComputeFromReferencePhase = Dumux::ComputeFromReferencePhase<Scalar, FS>;
 
    using ModelTraits = typename Traits::ModelTraits;
    using Idx = typename ModelTraits::Indices;
    static constexpr int numFluidComps = ParentType::numFluidComponents();
    enum {
        wCompIdx = FS::wCompIdx,
        gCompIdx = FS::gCompIdx,
        nCompIdx = FS::nCompIdx,
 
        wPhaseIdx = FS::wPhaseIdx,
        gPhaseIdx = FS::gPhaseIdx,
        nPhaseIdx = FS::nPhaseIdx,
 
        switch1Idx = Idx::switch1Idx,
        switch2Idx = Idx::switch2Idx,
        pressureIdx = Idx::pressureIdx
    };
 
    // present phases
    enum {
        threePhases = Idx::threePhases,
        wPhaseOnly  = Idx::wPhaseOnly,
        gnPhaseOnly = Idx::gnPhaseOnly,
        wnPhaseOnly = Idx::wnPhaseOnly,
        gPhaseOnly  = Idx::gPhaseOnly,
        wgPhaseOnly = Idx::wgPhaseOnly
    };
 
    using EffDiffModel = typename Traits::EffectiveDiffusivityModel;
    using DiffusionCoefficients = typename Traits::DiffusionType::DiffusionCoefficientsContainer;
 
public:
    using FluidState = typename Traits::FluidState;
    using FluidSystem = typename Traits::FluidSystem;
    using Indices = typename ModelTraits::Indices;
    using SolidState = typename Traits::SolidState;
    using SolidSystem = typename Traits::SolidSystem;
    using PrimaryVariableSwitch = ThreePThreeCPrimaryVariableSwitch;
 
    template<class ElemSol, class Problem, class Element, class Scv>
    void update(const ElemSol &elemSol,
                const Problem &problem,
                const Element &element,
                const Scv& scv)
    {
        ParentType::update(elemSol, problem, element, scv);
        const auto& priVars = elemSol[scv.localDofIndex()];
        const auto phasePresence = priVars.state();
 
        constexpr bool useConstraintSolver = ModelTraits::useConstraintSolver();
 
        EnergyVolVars::updateTemperature(elemSol, problem, element, scv, fluidState_, solidState_);
 
        /* first the saturations */
        if (phasePresence == threePhases)
        {
            sw_ = priVars[switch1Idx];
            sn_ = priVars[switch2Idx];
            sg_ = 1. - sw_ - sn_;
        }
        else if (phasePresence == wPhaseOnly)
        {
            sw_ = 1.;
            sn_ = 0.;
            sg_ = 0.;
        }
        else if (phasePresence == gnPhaseOnly)
        {
            sw_ = 0.;
            sn_ = priVars[switch2Idx];
            sg_ = 1. - sn_;
        }
        else if (phasePresence == wnPhaseOnly)
        {
            sn_ = priVars[switch2Idx];
            sw_ = 1. - sn_;
            sg_ = 0.;
        }
        else if (phasePresence == gPhaseOnly)
        {
            sw_ = 0.;
            sn_ = 0.;
            sg_ = 1.;
        }
        else if (phasePresence == wgPhaseOnly)
        {
            sw_ = priVars[switch1Idx];
            sn_ = 0.;
            sg_ = 1. - sw_;
        }
        else
            DUNE_THROW(Dune::InvalidStateException, "phasePresence: " << phasePresence << " is invalid.");
 
        fluidState_.setSaturation(wPhaseIdx, sw_);
        fluidState_.setSaturation(gPhaseIdx, sg_);
        fluidState_.setSaturation(nPhaseIdx, sn_);
 
        /* now the pressures */
        pg_ = priVars[pressureIdx];
 
        // calculate capillary pressures
 
        const auto fluidMatrixInteraction = problem.spatialParams().fluidMatrixInteraction(element, scv, elemSol);
        Scalar pcgw = fluidMatrixInteraction.pcgw(sw_, sn_);
        Scalar pcnw = fluidMatrixInteraction.pcnw(sw_, sn_);
        Scalar pcgn = fluidMatrixInteraction.pcgn(sw_, sn_);
 
        const Scalar pcAlpha = fluidMatrixInteraction.pcAlpha(sw_, sn_);
        const Scalar pcNW1 = 0.0; // TODO: this should be possible to assign in the problem file
 
        pn_ = pg_- pcAlpha * pcgn - (1.-pcAlpha)*(pcgw - pcNW1);
        pw_ = pn_ - pcAlpha * pcnw - (1.-pcAlpha)*pcNW1;
 
        fluidState_.setPressure(wPhaseIdx, pw_);
        fluidState_.setPressure(gPhaseIdx, pg_);
        fluidState_.setPressure(nPhaseIdx, pn_);
 
        // calculate and set all fugacity coefficients. this is
        // possible because we require all phases to be an ideal
        // mixture, i.e. fugacity coefficients are not supposed to
        // depend on composition!
        typename FluidSystem::ParameterCache paramCache;
        // assert(FluidSystem::isIdealGas(gPhaseIdx));
        for (int phaseIdx = 0; phaseIdx < ModelTraits::numFluidPhases(); ++ phaseIdx) {
            assert(FluidSystem::isIdealMixture(phaseIdx));
 
            for (int compIdx = 0; compIdx < ModelTraits::numFluidComponents(); ++ compIdx) {
                Scalar phi = FluidSystem::fugacityCoefficient(fluidState_, paramCache, phaseIdx, compIdx);
                fluidState_.setFugacityCoefficient(phaseIdx, compIdx, phi);
            }
        }
 
        // now comes the tricky part: calculate phase composition
        if (phasePresence == threePhases) {
            // all phases are present, phase compositions are a
            // result of the the gas <-> liquid equilibrium. This is
            // the job of the "MiscibleMultiPhaseComposition"
            // constraint solver ...
            if (useConstraintSolver) {
                MiscibleMultiPhaseComposition::solve(fluidState_,
                                                     paramCache);
            }
            // ... or calculated explicitly this way ...
            // please note that we experienced some problems with un-regularized
            // partial pressures due to their calculation from fugacity coefficients -
            // that's why they are regularized below "within physically meaningful bounds"
            else {
                Scalar partPressH2O = FluidSystem::fugacityCoefficient(fluidState_,
                                                                      wPhaseIdx,
                                                                      wCompIdx) * pw_;
                if (partPressH2O > pg_) partPressH2O = pg_;
                Scalar partPressNAPL = FluidSystem::fugacityCoefficient(fluidState_,
                                                                       nPhaseIdx,
                                                                       nCompIdx) * pn_;
                if (partPressNAPL > pg_) partPressNAPL = pg_;
                Scalar partPressAir = pg_ - partPressH2O - partPressNAPL;
 
                Scalar xgn = partPressNAPL/pg_;
                Scalar xgw = partPressH2O/pg_;
                Scalar xgg = partPressAir/pg_;
 
                // actually, it's nothing else than Henry coefficient
                Scalar xwn = partPressNAPL
                             / (FluidSystem::fugacityCoefficient(fluidState_,
                                                                 wPhaseIdx,nCompIdx)
                                * pw_);
                Scalar xwg = partPressAir
                             / (FluidSystem::fugacityCoefficient(fluidState_,
                                                                 wPhaseIdx,gCompIdx)
                                * pw_);
                Scalar xww = 1.-xwg-xwn;
 
                Scalar xnn = 1.-2.e-10;
                Scalar xna = 1.e-10;
                Scalar xnw = 1.e-10;
 
                fluidState_.setMoleFraction(wPhaseIdx, wCompIdx, xww);
                fluidState_.setMoleFraction(wPhaseIdx, gCompIdx, xwg);
                fluidState_.setMoleFraction(wPhaseIdx, nCompIdx, xwn);
                fluidState_.setMoleFraction(gPhaseIdx, wCompIdx, xgw);
                fluidState_.setMoleFraction(gPhaseIdx, gCompIdx, xgg);
                fluidState_.setMoleFraction(gPhaseIdx, nCompIdx, xgn);
                fluidState_.setMoleFraction(nPhaseIdx, wCompIdx, xnw);
                fluidState_.setMoleFraction(nPhaseIdx, gCompIdx, xna);
                fluidState_.setMoleFraction(nPhaseIdx, nCompIdx, xnn);
 
                Scalar rhoW = FluidSystem::density(fluidState_, wPhaseIdx);
                Scalar rhoG = FluidSystem::density(fluidState_, gPhaseIdx);
                Scalar rhoN = FluidSystem::density(fluidState_, nPhaseIdx);
                Scalar rhoWMolar = FluidSystem::molarDensity(fluidState_, wPhaseIdx);
                Scalar rhoGMolar = FluidSystem::molarDensity(fluidState_, gPhaseIdx);
                Scalar rhoNMolar = FluidSystem::molarDensity(fluidState_, nPhaseIdx);
 
                fluidState_.setDensity(wPhaseIdx, rhoW);
                fluidState_.setDensity(gPhaseIdx, rhoG);
                fluidState_.setDensity(nPhaseIdx, rhoN);
                fluidState_.setMolarDensity(wPhaseIdx, rhoWMolar);
                fluidState_.setMolarDensity(gPhaseIdx, rhoGMolar);
                fluidState_.setMolarDensity(nPhaseIdx, rhoNMolar);
            }
        }
        else if (phasePresence == wPhaseOnly) {
            // only the water phase is present, water phase composition is
            // stored explicitly.
 
            // extract mole fractions in the water phase
            Scalar xwg = priVars[switch1Idx];
            Scalar xwn = priVars[switch2Idx];
            Scalar xww = 1 - xwg - xwn;
 
            // write water mole fractions in the fluid state
            fluidState_.setMoleFraction(wPhaseIdx, wCompIdx, xww);
            fluidState_.setMoleFraction(wPhaseIdx, gCompIdx, xwg);
            fluidState_.setMoleFraction(wPhaseIdx, nCompIdx, xwn);
 
            // calculate the composition of the remaining phases (as
            // well as the densities of all phases). this is the job
            // of the "ComputeFromReferencePhase" constraint solver ...
            if (useConstraintSolver)
            {
                ComputeFromReferencePhase::solve(fluidState_,
                                                 paramCache,
                                                 wPhaseIdx);
            }
            // ... or calculated explicitly this way ...
            else {
                // note that the gas phase is actually not existing!
                // thus, this is used as phase switch criterion
                Scalar xgg = xwg * FluidSystem::fugacityCoefficient(fluidState_,
                                                                    wPhaseIdx,gCompIdx)
                                   * pw_ / pg_;
                Scalar xgn = xwn * FluidSystem::fugacityCoefficient(fluidState_,
                                                                    wPhaseIdx,nCompIdx)
                                   * pw_ / pg_;
                Scalar xgw = FluidSystem::fugacityCoefficient(fluidState_,
                                                              wPhaseIdx,wCompIdx)
                                   * pw_ / pg_;
 
 
                // note that the gas phase is actually not existing!
                // thus, this is used as phase switch criterion
                Scalar xnn = xwn * FluidSystem::fugacityCoefficient(fluidState_,
                                                                    wPhaseIdx,nCompIdx)
                                   * pw_;
                Scalar xna = 1.e-10;
                Scalar xnw = 1.e-10;
 
                fluidState_.setMoleFraction(gPhaseIdx, wCompIdx, xgw);
                fluidState_.setMoleFraction(gPhaseIdx, gCompIdx, xgg);
                fluidState_.setMoleFraction(gPhaseIdx, nCompIdx, xgn);
                fluidState_.setMoleFraction(nPhaseIdx, wCompIdx, xnw);
                fluidState_.setMoleFraction(nPhaseIdx, gCompIdx, xna);
                fluidState_.setMoleFraction(nPhaseIdx, nCompIdx, xnn);
 
                Scalar rhoW = FluidSystem::density(fluidState_, wPhaseIdx);
                Scalar rhoG = FluidSystem::density(fluidState_, gPhaseIdx);
                Scalar rhoN = FluidSystem::density(fluidState_, nPhaseIdx);
                Scalar rhoWMolar = FluidSystem::molarDensity(fluidState_, wPhaseIdx);
                Scalar rhoGMolar = FluidSystem::molarDensity(fluidState_, gPhaseIdx);
                Scalar rhoNMolar = FluidSystem::molarDensity(fluidState_, nPhaseIdx);
 
                fluidState_.setDensity(wPhaseIdx, rhoW);
                fluidState_.setDensity(gPhaseIdx, rhoG);
                fluidState_.setDensity(nPhaseIdx, rhoN);
                fluidState_.setMolarDensity(wPhaseIdx, rhoWMolar);
                fluidState_.setMolarDensity(gPhaseIdx, rhoGMolar);
                fluidState_.setMolarDensity(nPhaseIdx, rhoNMolar);
            }
        }
        else if (phasePresence == gnPhaseOnly) {
            // only gas and NAPL phases are present
            // we have all (partly hypothetical) phase pressures
            // and temperature and the mole fraction of water in
            // the gas phase
 
            // we have all (partly hypothetical) phase pressures
            // and temperature and the mole fraction of water in
            // the gas phase
            Scalar partPressNAPL = fluidState_.fugacityCoefficient(nPhaseIdx, nCompIdx)*pn_;
            if (partPressNAPL > pg_) partPressNAPL = pg_;
 
            Scalar xgw = priVars[switch1Idx];
            Scalar xgn = partPressNAPL/pg_;
            Scalar xgg = 1.-xgw-xgn;
 
            // write mole fractions in the fluid state
            fluidState_.setMoleFraction(gPhaseIdx, wCompIdx, xgw);
            fluidState_.setMoleFraction(gPhaseIdx, gCompIdx, xgg);
            fluidState_.setMoleFraction(gPhaseIdx, nCompIdx, xgn);
 
            // calculate the composition of the remaining phases (as
            // well as the densities of all phases). this is the job
            // of the "ComputeFromReferencePhase" constraint solver
            ComputeFromReferencePhase::solve(fluidState_,
                                             paramCache,
                                             gPhaseIdx);
        }
        else if (phasePresence == wnPhaseOnly) {
            // only water and NAPL phases are present
            Scalar partPressNAPL = fluidState_.fugacityCoefficient(nPhaseIdx,nCompIdx)*pn_;
            if (partPressNAPL > pg_) partPressNAPL = pg_;
            Scalar henryC = fluidState_.fugacityCoefficient(wPhaseIdx,nCompIdx)*pw_;
 
            Scalar xwg = priVars[switch1Idx];
            Scalar xwn = partPressNAPL/henryC;
            Scalar xww = 1.-xwg-xwn;
 
            // write mole fractions in the fluid state
            fluidState_.setMoleFraction(wPhaseIdx, wCompIdx, xww);
            fluidState_.setMoleFraction(wPhaseIdx, gCompIdx, xwg);
            fluidState_.setMoleFraction(wPhaseIdx, nCompIdx, xwn);
 
            // calculate the composition of the remaining phases (as
            // well as the densities of all phases). this is the job
            // of the "ComputeFromReferencePhase" constraint solver
            ComputeFromReferencePhase::solve(fluidState_,
                                             paramCache,
                                             wPhaseIdx);
        }
        else if (phasePresence == gPhaseOnly) {
            // only the gas phase is present, gas phase composition is
            // stored explicitly here below.
 
            const Scalar xgw = priVars[switch1Idx];
            const Scalar xgn = priVars[switch2Idx];
            Scalar xgg = 1 - xgw - xgn;
 
            // write mole fractions in the fluid state
            fluidState_.setMoleFraction(gPhaseIdx, wCompIdx, xgw);
            fluidState_.setMoleFraction(gPhaseIdx, gCompIdx, xgg);
            fluidState_.setMoleFraction(gPhaseIdx, nCompIdx, xgn);
 
            // calculate the composition of the remaining phases (as
            // well as the densities of all phases). this is the job
            // of the "ComputeFromReferencePhase" constraint solver ...
            if (useConstraintSolver)
            {
                ComputeFromReferencePhase::solve(fluidState_,
                                                 paramCache,
                                                 gPhaseIdx);
            }
            // ... or calculated explicitly this way ...
            else {
 
                // note that the water phase is actually not existing!
                // thus, this is used as phase switch criterion
                Scalar xww = xgw * pg_
                             / (FluidSystem::fugacityCoefficient(fluidState_,
                                                                 wPhaseIdx,wCompIdx)
                                * pw_);
                Scalar xwn = 1.e-10;
                Scalar xwg = 1.e-10;
 
                // note that the NAPL phase is actually not existing!
                // thus, this is used as phase switch criterion
                Scalar xnn = xgn * pg_
                             / (FluidSystem::fugacityCoefficient(fluidState_,
                                                                 nPhaseIdx,nCompIdx)
                                * pn_);
                Scalar xna = 1.e-10;
                Scalar xnw = 1.e-10;
 
                fluidState_.setMoleFraction(wPhaseIdx, wCompIdx, xww);
                fluidState_.setMoleFraction(wPhaseIdx, gCompIdx, xwg);
                fluidState_.setMoleFraction(wPhaseIdx, nCompIdx, xwn);
                fluidState_.setMoleFraction(nPhaseIdx, wCompIdx, xnw);
                fluidState_.setMoleFraction(nPhaseIdx, gCompIdx, xna);
                fluidState_.setMoleFraction(nPhaseIdx, nCompIdx, xnn);
 
                Scalar rhoW = FluidSystem::density(fluidState_, wPhaseIdx);
                Scalar rhoG = FluidSystem::density(fluidState_, gPhaseIdx);
                Scalar rhoN = FluidSystem::density(fluidState_, nPhaseIdx);
                Scalar rhoWMolar = FluidSystem::molarDensity(fluidState_, wPhaseIdx);
                Scalar rhoGMolar = FluidSystem::molarDensity(fluidState_, gPhaseIdx);
                Scalar rhoNMolar = FluidSystem::molarDensity(fluidState_, nPhaseIdx);
 
                fluidState_.setDensity(wPhaseIdx, rhoW);
                fluidState_.setDensity(gPhaseIdx, rhoG);
                fluidState_.setDensity(nPhaseIdx, rhoN);
                fluidState_.setMolarDensity(wPhaseIdx, rhoWMolar);
                fluidState_.setMolarDensity(gPhaseIdx, rhoGMolar);
                fluidState_.setMolarDensity(nPhaseIdx, rhoNMolar);
            }
        }
        else if (phasePresence == wgPhaseOnly) {
            // only water and gas phases are present
            Scalar xgn = priVars[switch2Idx];
            Scalar partPressH2O = fluidState_.fugacityCoefficient(wPhaseIdx, wCompIdx)*pw_;
            if (partPressH2O > pg_) partPressH2O = pg_;
 
            Scalar xgw = partPressH2O/pg_;
            Scalar xgg = 1.-xgn-xgw;
 
            // write mole fractions in the fluid state
            fluidState_.setMoleFraction(gPhaseIdx, wCompIdx, xgw);
            fluidState_.setMoleFraction(gPhaseIdx, gCompIdx, xgg);
            fluidState_.setMoleFraction(gPhaseIdx, nCompIdx, xgn);
 
            // calculate the composition of the remaining phases (as
            // well as the densities of all phases). this is the job
            // of the "ComputeFromReferencePhase" constraint solver ...
            if (useConstraintSolver)
            {
                ComputeFromReferencePhase::solve(fluidState_,
                                                 paramCache,
                                                 gPhaseIdx);
            }
            // ... or calculated explicitly this way ...
            else {
                // actually, it's nothing else than Henry coefficient
                Scalar xwn = xgn * pg_
                             / (FluidSystem::fugacityCoefficient(fluidState_,
                                                                 wPhaseIdx,nCompIdx)
                                * pw_);
                Scalar xwg = xgg * pg_
                             / (FluidSystem::fugacityCoefficient(fluidState_,
                                                                 wPhaseIdx,gCompIdx)
                                * pw_);
                Scalar xww = 1.-xwg-xwn;
 
                // note that the NAPL phase is actually not existing!
                // thus, this is used as phase switch criterion
                Scalar xnn = xgn * pg_
                             / (FluidSystem::fugacityCoefficient(fluidState_,
                                                                 nPhaseIdx,nCompIdx)
                                * pn_);
                Scalar xna = 1.e-10;
                Scalar xnw = 1.e-10;
 
                fluidState_.setMoleFraction(wPhaseIdx, wCompIdx, xww);
                fluidState_.setMoleFraction(wPhaseIdx, gCompIdx, xwg);
                fluidState_.setMoleFraction(wPhaseIdx, nCompIdx, xwn);
                fluidState_.setMoleFraction(nPhaseIdx, wCompIdx, xnw);
                fluidState_.setMoleFraction(nPhaseIdx, gCompIdx, xna);
                fluidState_.setMoleFraction(nPhaseIdx, nCompIdx, xnn);
 
                Scalar rhoW = FluidSystem::density(fluidState_, wPhaseIdx);
                Scalar rhoG = FluidSystem::density(fluidState_, gPhaseIdx);
                Scalar rhoN = FluidSystem::density(fluidState_, nPhaseIdx);
                Scalar rhoWMolar = FluidSystem::molarDensity(fluidState_, wPhaseIdx);
                Scalar rhoGMolar = FluidSystem::molarDensity(fluidState_, gPhaseIdx);
                Scalar rhoNMolar = FluidSystem::molarDensity(fluidState_, nPhaseIdx);
 
                fluidState_.setDensity(wPhaseIdx, rhoW);
                fluidState_.setDensity(gPhaseIdx, rhoG);
                fluidState_.setDensity(nPhaseIdx, rhoN);
                fluidState_.setMolarDensity(wPhaseIdx, rhoWMolar);
                fluidState_.setMolarDensity(gPhaseIdx, rhoGMolar);
                fluidState_.setMolarDensity(nPhaseIdx, rhoNMolar);
            }
        }
        else
            DUNE_THROW(Dune::InvalidStateException, "phasePresence: " << phasePresence << " is invalid.");
 
        for (int phaseIdx = 0; phaseIdx < ModelTraits::numFluidPhases(); ++phaseIdx)
        {
            // mobilities
            const Scalar mu =
                FluidSystem::viscosity(fluidState_,
                                       paramCache,
                                       phaseIdx);
            fluidState_.setViscosity(phaseIdx,mu);
 
            const Scalar kr = fluidMatrixInteraction.kr(phaseIdx,
                                 fluidState_.saturation(wPhaseIdx),
                                 fluidState_.saturation(nPhaseIdx));
            mobility_[phaseIdx] = kr / mu;
        }
 
        // material dependent parameters for NAPL adsorption (only if law is provided)
        if constexpr (Detail::hasAdsorptionModel<std::decay_t<decltype(fluidMatrixInteraction)>>())
            bulkDensTimesAdsorpCoeff_ = fluidMatrixInteraction.adsorptionModel().bulkDensTimesAdsorpCoeff();
 
        /* compute the diffusion coefficient
         * \note This is the part of the diffusion coefficient determined by the fluid state, e.g.
         *       important if they are tabularized. In the diffusive flux computation (e.g. Fick's law)
         *       this gets converted into an efficient coefficient depending on saturation and porosity.
         *       We can then add a normalized tensorial component
         *       e.g. obtained from DTI from the spatial params (currently not implemented)
         */
 
        auto getEffectiveDiffusionCoefficient = [&](int phaseIdx, int compIIdx, int compJIdx)
        {
            return EffDiffModel::effectiveDiffusionCoefficient(*this, phaseIdx, compIIdx, compJIdx);
        };
 
        // porosity & permeabilty
        updateSolidVolumeFractions(elemSol, problem, element, scv, solidState_, numFluidComps);
 
        effectiveDiffCoeff_.update(getEffectiveDiffusionCoefficient);
 
        EnergyVolVars::updateSolidEnergyParams(elemSol, problem, element, scv, solidState_);
        permeability_ = problem.spatialParams().permeability(element, scv, elemSol);
        EnergyVolVars::updateEffectiveThermalConductivity();
 
        // compute and set the enthalpy
        for (int phaseIdx = 0; phaseIdx < ModelTraits::numFluidPhases(); ++phaseIdx)
        {
            Scalar h = EnergyVolVars::enthalpy(fluidState_, paramCache, phaseIdx);
            fluidState_.setEnthalpy(phaseIdx, h);
        }
    }
 
    const FluidState &fluidState() const
    { return fluidState_; }
 
    const SolidState &solidState() const
    { return solidState_; }
 
    Scalar averageMolarMass(int phaseIdx) const
    { return fluidState_.averageMolarMass(phaseIdx); }
 
    Scalar saturation(const int phaseIdx) const
    { return fluidState_.saturation(phaseIdx); }
 
    Scalar massFraction(const int phaseIdx, const int compIdx) const
    { return fluidState_.massFraction(phaseIdx, compIdx); }
 
    Scalar moleFraction(const int phaseIdx, const int compIdx) const
    { return fluidState_.moleFraction(phaseIdx, compIdx); }
 
    Scalar density(const int phaseIdx) const
    { return fluidState_.density(phaseIdx); }
 
    Scalar molarDensity(const int phaseIdx) const
    { return fluidState_.molarDensity(phaseIdx); }
 
    Scalar pressure(const int phaseIdx) const
    { return fluidState_.pressure(phaseIdx); }
 
    Scalar temperature() const
    { return fluidState_.temperature(/*phaseIdx=*/0); }
 
    Scalar mobility(const int phaseIdx) const
    { return mobility_[phaseIdx]; }
 
    Scalar capillaryPressure() const
    { return fluidState_.capillaryPressure(); }
 
    Scalar porosity() const
    { return solidState_.porosity(); }
 
    Scalar bulkDensTimesAdsorpCoeff() const
    {
        if (bulkDensTimesAdsorpCoeff_)
            return bulkDensTimesAdsorpCoeff_.value();
        else
            DUNE_THROW(Dune::NotImplemented, "Your spatialParams do not provide an adsorption model");
    }
 
    const PermeabilityType& permeability() const
    { return permeability_; }
 
    /*
     * \brief Returns the binary diffusion coefficients for a phase in \f$[m^2/s]\f$.
     */
    Scalar diffusionCoefficient(int phaseIdx, int compIIdx, int compJIdx) const
    {
        typename FluidSystem::ParameterCache paramCache;
        paramCache.updatePhase(fluidState_, phaseIdx);
        return FluidSystem::diffusionCoefficient(fluidState_, paramCache, phaseIdx, compJIdx);
    }
 
    Scalar effectiveDiffusionCoefficient(int phaseIdx, int compIIdx, int compJIdx) const
    { return effectiveDiffCoeff_(phaseIdx, compIIdx, compJIdx); }
 
protected:
    FluidState fluidState_;
    SolidState solidState_;
 
 
private:
    Scalar sw_, sg_, sn_, pg_, pw_, pn_;
 
    Scalar moleFrac_[ModelTraits::numFluidPhases()][ModelTraits::numFluidComponents()];
    Scalar massFrac_[ModelTraits::numFluidPhases()][ModelTraits::numFluidComponents()];
 
    PermeabilityType permeability_; 
    Scalar mobility_[ModelTraits::numFluidPhases()];  
    OptionalScalar<Scalar> bulkDensTimesAdsorpCoeff_; 
 
    DiffusionCoefficients effectiveDiffCoeff_;
};
 
} // end namespace Dumux
 
#endif