porousmediumflow/2pnc/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_2PNC_VOLUME_VARIABLES_HH
#define DUMUX_2PNC_VOLUME_VARIABLES_HH
 
#include <iostream>
#include <vector>
 
#include <dumux/common/math.hh>
#include <dumux/discretization/method.hh>
 
#include <dumux/porousmediumflow/volumevariables.hh>
#include <dumux/porousmediumflow/nonisothermal/volumevariables.hh>
 
#include <dumux/material/fluidstates/compositional.hh>
#include <dumux/material/solidstates/updatesolidvolumefractions.hh>
#include <dumux/material/constraintsolvers/computefromreferencephase.hh>
#include <dumux/material/constraintsolvers/misciblemultiphasecomposition.hh>
 
#include <dumux/porousmediumflow/2p/formulation.hh>
 
#include "primaryvariableswitch.hh"
 
namespace Dumux {
 
template <class Traits>
class TwoPNCVolumeVariables
: public PorousMediumFlowVolumeVariables<Traits>
, public EnergyVolumeVariables<Traits, TwoPNCVolumeVariables<Traits> >
{
    using ParentType = PorousMediumFlowVolumeVariables<Traits>;
    using EnergyVolVars = EnergyVolumeVariables<Traits, TwoPNCVolumeVariables<Traits> >;
    using Scalar = typename Traits::PrimaryVariables::value_type;
    using PermeabilityType = typename Traits::PermeabilityType;
    using FS = typename Traits::FluidSystem;
    using ModelTraits = typename Traits::ModelTraits;
    static constexpr int numFluidComps = ParentType::numFluidComponents();
    enum
    {
        numMajorComponents = ModelTraits::numFluidPhases(),
 
        // phase indices
        phase0Idx = FS::phase0Idx,
        phase1Idx = FS::phase1Idx,
 
        // component indices
        comp0Idx = FS::comp0Idx,
        comp1Idx = FS::comp1Idx,
 
        // phase presence enums
        secondPhaseOnly = ModelTraits::Indices::secondPhaseOnly,
        firstPhaseOnly = ModelTraits::Indices::firstPhaseOnly,
        bothPhases = ModelTraits::Indices::bothPhases,
 
        // primary variable indices
        pressureIdx = ModelTraits::Indices::pressureIdx,
        switchIdx = ModelTraits::Indices::switchIdx
    };
 
    static constexpr auto formulation = ModelTraits::priVarFormulation();
    static constexpr bool setFirstPhaseMoleFractions = ModelTraits::setMoleFractionsForFirstPhase();
 
    using MiscibleMultiPhaseComposition = Dumux::MiscibleMultiPhaseComposition<Scalar, FS>;
    using ComputeFromReferencePhase = Dumux::ComputeFromReferencePhase<Scalar, FS>;
    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 = TwoPNCPrimaryVariableSwitch;
 
    static constexpr bool useMoles() { return Traits::ModelTraits::useMoles(); }
    static constexpr TwoPFormulation priVarFormulation() { return formulation; }
 
    // check for permissive specifications
    static_assert(useMoles(), "use moles has to be set true in the 2pnc model");
    static_assert(ModelTraits::numFluidPhases() == 2, "NumPhases set in the model is not two!");
    static_assert((formulation == TwoPFormulation::p0s1 || formulation == TwoPFormulation::p1s0), "Chosen TwoPFormulation not supported!");
 
    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);
 
        completeFluidState(elemSol, problem, element, scv, fluidState_, solidState_);
 
        // calculate the remaining quantities
 
        const auto& spatialParams = problem.spatialParams();
        const auto fluidMatrixInteraction = spatialParams.fluidMatrixInteraction(element, scv, elemSol);
 
        const int wPhaseIdx = fluidState_.wettingPhase();
        const int nPhaseIdx = 1 - wPhaseIdx;
 
        // mobilities -> require wetting phase saturation as parameter!
        mobility_[wPhaseIdx] = fluidMatrixInteraction.krw(saturation(wPhaseIdx))/fluidState_.viscosity(wPhaseIdx);
        mobility_[nPhaseIdx] = fluidMatrixInteraction.krn(saturation(wPhaseIdx))/fluidState_.viscosity(nPhaseIdx);
 
        //update porosity before calculating the effective properties depending on it
        updateSolidVolumeFractions(elemSol, problem, element, scv, solidState_, numFluidComps);
 
        auto getEffectiveDiffusionCoefficient = [&](int phaseIdx, int compIIdx, int compJIdx)
        {
            return EffDiffModel::effectiveDiffusionCoefficient(*this, phaseIdx, compIIdx, compJIdx);
        };
 
        effectiveDiffCoeff_.update(getEffectiveDiffusionCoefficient);
 
        // calculate the remaining quantities
        EnergyVolVars::updateSolidEnergyParams(elemSol, problem, element, scv, solidState_);
        permeability_ = spatialParams.permeability(element, scv, elemSol);
        EnergyVolVars::updateEffectiveThermalConductivity();
    }
 
    template<class ElemSol, class Problem, class Element, class Scv>
    void completeFluidState(const ElemSol& elemSol,
                            const Problem& problem,
                            const Element& element,
                            const Scv& scv,
                            FluidState& fluidState,
                            SolidState& solidState)
    {
        EnergyVolVars::updateTemperature(elemSol, problem, element, scv, fluidState, solidState);
 
        const auto& priVars = elemSol[scv.localDofIndex()];
        const auto phasePresence = priVars.state();
 
        const auto& spatialParams = problem.spatialParams();
        const auto fluidMatrixInteraction = spatialParams.fluidMatrixInteraction(element, scv, elemSol);
        const auto wPhaseIdx = spatialParams.template wettingPhase<FluidSystem>(element, scv, elemSol);
        fluidState.setWettingPhase(wPhaseIdx);
 
        // set the saturations
        if (phasePresence == secondPhaseOnly)
        {
            fluidState.setSaturation(phase0Idx, 0.0);
            fluidState.setSaturation(phase1Idx, 1.0);
        }
        else if (phasePresence == firstPhaseOnly)
        {
            fluidState.setSaturation(phase0Idx, 1.0);
            fluidState.setSaturation(phase1Idx, 0.0);
        }
        else if (phasePresence == bothPhases)
        {
            if (formulation == TwoPFormulation::p0s1)
            {
                fluidState.setSaturation(phase1Idx, priVars[switchIdx]);
                fluidState.setSaturation(phase0Idx, 1 - priVars[switchIdx]);
            }
            else
            {
                fluidState.setSaturation(phase0Idx, priVars[switchIdx]);
                fluidState.setSaturation(phase1Idx, 1 - priVars[switchIdx]);
            }
        }
        else
            DUNE_THROW(Dune::InvalidStateException, "phasePresence: " << phasePresence << " is invalid.");
 
        // set pressures of the fluid phases
        pc_ = fluidMatrixInteraction.pc(fluidState.saturation(wPhaseIdx));
        if (formulation == TwoPFormulation::p0s1)
        {
            fluidState.setPressure(phase0Idx, priVars[pressureIdx]);
            fluidState.setPressure(phase1Idx, (wPhaseIdx == phase0Idx) ? priVars[pressureIdx] + pc_
                                                                       : priVars[pressureIdx] - pc_);
        }
        else
        {
            fluidState.setPressure(phase1Idx, priVars[pressureIdx]);
            fluidState.setPressure(phase0Idx, (wPhaseIdx == phase0Idx) ? priVars[pressureIdx] - pc_
                                                                       : priVars[pressureIdx] + pc_);
        }
 
        // calculate the phase compositions
        typename FluidSystem::ParameterCache paramCache;
 
        // now comes the tricky part: calculate phase composition
        if (phasePresence == bothPhases)
        {
            // both phases are present, phase composition results from
            // the first <-> second phase equilibrium. This is the job
            // of the "MiscibleMultiPhaseComposition" constraint solver
 
            // set the known mole fractions in the fluidState so that they
            // can be used by the MiscibleMultiPhaseComposition constraint solver
 
            const int knownPhaseIdx = setFirstPhaseMoleFractions ? phase0Idx : phase1Idx;
            for (int compIdx = numMajorComponents; compIdx <  ModelTraits::numFluidComponents(); ++compIdx)
                fluidState.setMoleFraction(knownPhaseIdx, compIdx, priVars[compIdx]);
 
            MiscibleMultiPhaseComposition::solve(fluidState,
                                                 paramCache,
                                                 knownPhaseIdx);
        }
        else if (phasePresence == secondPhaseOnly)
        {
            Dune::FieldVector<Scalar, ModelTraits::numFluidComponents()> moleFrac;
 
            moleFrac[comp0Idx] = priVars[switchIdx];
            Scalar sumMoleFracOtherComponents = moleFrac[comp0Idx];
 
            for (int compIdx = numMajorComponents; compIdx < ModelTraits::numFluidComponents(); ++compIdx)
            {
                moleFrac[compIdx] = priVars[compIdx];
                sumMoleFracOtherComponents += moleFrac[compIdx];
            }
 
            moleFrac[comp1Idx] = 1 - sumMoleFracOtherComponents;
 
            // Set fluid state mole fractions
            for (int compIdx = 0; compIdx <  ModelTraits::numFluidComponents(); ++compIdx)
                fluidState.setMoleFraction(phase1Idx, compIdx, moleFrac[compIdx]);
 
            // 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,
                                             phase1Idx);
        }
        else if (phasePresence == firstPhaseOnly)
        {
            // only the first phase is present, i.e. first phase composition
            // is stored explicitly. extract _mass_ fractions in the second phase
            Dune::FieldVector<Scalar,  ModelTraits::numFluidComponents()> moleFrac;
 
            moleFrac[comp1Idx] = priVars[switchIdx];
            Scalar sumMoleFracOtherComponents = moleFrac[comp1Idx];
            for (int compIdx = numMajorComponents; compIdx <  ModelTraits::numFluidComponents(); ++compIdx)
            {
                moleFrac[compIdx] = priVars[compIdx];
 
                sumMoleFracOtherComponents += moleFrac[compIdx];
            }
 
            moleFrac[comp0Idx] = 1 - sumMoleFracOtherComponents;
 
            // convert mass to mole fractions and set the fluid state
            for (int compIdx = 0; compIdx <  ModelTraits::numFluidComponents(); ++compIdx)
                fluidState.setMoleFraction(phase0Idx, compIdx, moleFrac[compIdx]);
 
            // 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,
                                             phase0Idx);
        }
        paramCache.updateAll(fluidState);
        for (int phaseIdx = 0; phaseIdx < ModelTraits::numFluidPhases(); ++phaseIdx)
        {
            Scalar mu = FluidSystem::viscosity(fluidState, paramCache, phaseIdx);
            Scalar h = EnergyVolVars::enthalpy(fluidState, paramCache, phaseIdx);
            fluidState.setViscosity(phaseIdx, mu);
            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(int phaseIdx) const
    { return fluidState_.saturation(phaseIdx); }
 
    Scalar density(int phaseIdx) const
    { return fluidState_.density(phaseIdx); }
 
    Scalar viscosity(int phaseIdx) const
    { return fluidState_.viscosity(phaseIdx); }
 
    Scalar molarDensity(int phaseIdx) const
    {
        if (phaseIdx < ModelTraits::numFluidPhases())
            return fluidState_.molarDensity(phaseIdx);
 
        else
            DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx);
    }
 
    Scalar pressure(int phaseIdx) const
    { return fluidState_.pressure(phaseIdx); }
 
    Scalar temperature() const
    { return fluidState_.temperature(/*phaseIdx=*/0); }
 
    Scalar mobility(int phaseIdx) const
    { return mobility_[phaseIdx]; }
 
    Scalar capillaryPressure() const
    { return pc_; }
 
    Scalar porosity() const
    { return solidState_.porosity();  }
 
    const PermeabilityType& permeability() const
    { return permeability_; }
 
    Scalar diffusionCoefficient(int phaseIdx, int compIIdx, int compJIdx) const
    {
        typename FluidSystem::ParameterCache paramCache;
        paramCache.updatePhase(fluidState_, phaseIdx);
        return FluidSystem::binaryDiffusionCoefficient(fluidState_, paramCache, phaseIdx, compIIdx, compJIdx);
    }
 
    Scalar effectiveDiffusionCoefficient(int phaseIdx, int compIIdx, int compJIdx) const
    { return effectiveDiffCoeff_(phaseIdx, compIIdx, compJIdx); }
 
     Scalar massFraction(int phaseIdx, int compIdx) const
     { return fluidState_.massFraction(phaseIdx, compIdx); }
 
     Scalar moleFraction(int phaseIdx, int compIdx) const
     { return fluidState_.moleFraction(phaseIdx, compIdx); }
 
    int wettingPhase() const
    {  return fluidState_.wettingPhase(); }
 
protected:
    FluidState fluidState_;
    SolidState solidState_;
 
private:
 
    Scalar pc_;                     // The capillary pressure
    Scalar porosity_;               // Effective porosity within the control volume
    PermeabilityType permeability_; // Effective permeability within the control volume
    Scalar mobility_[ModelTraits::numFluidPhases()]; // Effective mobility within the control volume
    DiffusionCoefficients effectiveDiffCoeff_;
 
};
 
} // end namespace Dumux
 
#endif