pvsprimaryvariables.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:
/*
  This file is part of the Open Porous Media project (OPM).

  OPM 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.

  OPM 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 OPM.  If not, see <http://www.gnu.org/licenses/>.

  Consult the COPYING file in the top-level source directory of this
  module for the precise wording of the license and the list of
  copyright holders.
*/
#ifndef EWOMS_PVS_PRIMARY_VARIABLES_HH
#define EWOMS_PVS_PRIMARY_VARIABLES_HH

#include <dune/common/fvector.hh>

#include <opm/common/Exceptions.hpp>

#include <opm/material/common/MathToolbox.hpp>
#include <opm/material/common/Valgrind.hpp>
#include <opm/material/constraintsolvers/NcpFlash.hpp>
#include <opm/material/fluidstates/CompositionalFluidState.hpp>

#include <opm/models/common/energymodule.hh>
#include <opm/models/discretization/common/fvbaseprimaryvariables.hh>
#include <opm/models/pvs/pvsproperties.hh>

#include <cassert>
#include <cmath>
#include <ostream>
#include <type_traits>

namespace Opm {

template <class TypeTag>
class PvsPrimaryVariables : public FvBasePrimaryVariables<TypeTag>
{
    using ParentType = FvBasePrimaryVariables<TypeTag>;
    using ThisType = PvsPrimaryVariables<TypeTag>;
    using Implementation = GetPropType<TypeTag, Properties::PrimaryVariables>;

    using Scalar = GetPropType<TypeTag, Properties::Scalar>;
    using Evaluation = GetPropType<TypeTag, Properties::Evaluation>;
    using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>;
    using MaterialLaw = GetPropType<TypeTag, Properties::MaterialLaw>;
    using MaterialLawParams = GetPropType<TypeTag, Properties::MaterialLawParams>;
    using Indices = GetPropType<TypeTag, Properties::Indices>;

    // primary variable indices
    enum { pressure0Idx = Indices::pressure0Idx };
    enum { switch0Idx = Indices::switch0Idx };

    enum { numPhases = getPropValue<TypeTag, Properties::NumPhases>() };
    enum { numComponents = getPropValue<TypeTag, Properties::NumComponents>() };
    enum { enableEnergy = getPropValue<TypeTag, Properties::EnableEnergy>() };

    using Toolbox = MathToolbox<Evaluation>;
    using ComponentVector = Dune::FieldVector<Scalar, numComponents>;
    using EnergyModule = ::Opm::EnergyModule<TypeTag, enableEnergy>;
    using NcpFlash = ::Opm::NcpFlash<Scalar, FluidSystem>;

public:
    PvsPrimaryVariables() : ParentType()
    { Valgrind::SetDefined(*this); }

    PvsPrimaryVariables(const PvsPrimaryVariables& value) : ParentType(value)
    {
        Valgrind::SetDefined(*this);

        phasePresence_ = value.phasePresence_;
    }

    template <class FluidState>
    void assignMassConservative(const FluidState& fluidState,
                                const MaterialLawParams& matParams,
                                bool isInEquilibrium = false)
    {
#ifndef NDEBUG
        // make sure the temperature is the same in all fluid phases
        for (unsigned phaseIdx = 1; phaseIdx < numPhases; ++phaseIdx) {
            assert(std::abs(fluidState.temperature(0) - fluidState.temperature(phaseIdx)) < 1e-30);
        }
#endif // NDEBUG

        // for the equilibrium case, we don't need complicated
        // computations.
        if (isInEquilibrium) {
            assignNaive(fluidState);
            return;
        }

        // use a flash calculation to calculate a fluid state in
        // thermodynamic equilibrium
        typename FluidSystem::template ParameterCache<Scalar> paramCache;
        CompositionalFluidState<Scalar, FluidSystem> fsFlash;

        // use the externally given fluid state as initial value for
        // the flash calculation
        fsFlash.assign(fluidState);

        // calculate the phase densities
        paramCache.updateAll(fsFlash);
        for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
            const Scalar rho = FluidSystem::density(fsFlash, paramCache, phaseIdx);
            fsFlash.setDensity(phaseIdx, rho);
        }
        // calculate the "global molarities"
        ComponentVector globalMolarities(0.0);
        for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
            for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
                globalMolarities[compIdx] +=
                    fsFlash.saturation(phaseIdx) * fsFlash.molarity(phaseIdx, compIdx);
            }
        }

        // run the flash calculation
        NcpFlash::template solve<MaterialLaw>(fsFlash, matParams, paramCache, globalMolarities);

        // use the result to assign the primary variables
        assignNaive(fsFlash);
    }

    short phasePresence() const
    { return phasePresence_; }

    void setPhasePresence(short value)
    { phasePresence_ = value; }

    void setPhasePresent(unsigned phaseIdx, bool yesno)
    {
        if (yesno) {
            setPhasePresence(phasePresence_ | (1 << phaseIdx));
        }
        else {
            setPhasePresence(phasePresence_ & ~(1 << phaseIdx));
        }
    }

    unsigned implicitSaturationIdx() const
    { return lowestPresentPhaseIdx(); }

    static bool phaseIsPresent(unsigned phaseIdx, short phasePresence)
    { return phasePresence & (1 << phaseIdx); }

    bool phaseIsPresent(unsigned phaseIdx) const
    { return phasePresence_ & (1 << phaseIdx); }

    unsigned lowestPresentPhaseIdx() const
    { return static_cast<unsigned>(ffs(phasePresence_) - 1); }

    ThisType& operator=(const Implementation& value)
    {
        ParentType::operator=(value);
        phasePresence_ = value.phasePresence_;

        return *this;
    }

    ThisType& operator=(Scalar value)
    {
        ParentType::operator=(value);

        phasePresence_ = 0;
        return *this;
    }

    Evaluation explicitSaturationValue(unsigned phaseIdx, unsigned timeIdx) const
    {
        if (!phaseIsPresent(phaseIdx) || phaseIdx == lowestPresentPhaseIdx()) {
            // non-present phases have saturation 0
            return 0.0;
        }

        const unsigned varIdx = switch0Idx + phaseIdx - 1;
        if constexpr (std::is_same_v<Evaluation, Scalar>) {
            return (*this)[varIdx]; // finite differences
        }
        else {
            // automatic differentiation
            if (timeIdx != 0) {
                Toolbox::createConstant((*this)[varIdx]);
            }
            return Toolbox::createVariable((*this)[varIdx], varIdx);
        }
    }

    template <class FluidState>
    void assignNaive(const FluidState& fluidState)
    {
        using FsToolbox = MathToolbox<typename FluidState::ValueType>;

        // assign the phase temperatures. this is out-sourced to
        // the energy module
        EnergyModule::setPriVarTemperatures(*this, fluidState);

        // set the pressure of the first phase
        (*this)[pressure0Idx] = FsToolbox::value(fluidState.pressure(/*phaseIdx=*/0));
        Valgrind::CheckDefined((*this)[pressure0Idx]);

        // determine the phase presence.
        phasePresence_ = 0;
        for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
            // use a NCP condition to determine if the phase is
            // present or not
            Scalar a = 1;
            for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
                a -= FsToolbox::value(fluidState.moleFraction(phaseIdx, compIdx));
            }
            const Scalar b = FsToolbox::value(fluidState.saturation(phaseIdx));

            if (b > a) {
                phasePresence_ |= (1 << phaseIdx);
            }
        }

        // some phase must be present
        if (phasePresence_ == 0) {
            throw NumericalProblem("Phase state was 0, i.e., no fluid is present");
        }

        // set the primary variables which correspond to mole
        // fractions of the present phase which has the lowest index.
        const unsigned lowestPhaseIdx = lowestPresentPhaseIdx();
        for (unsigned switchIdx = 0; switchIdx < numPhases - 1; ++switchIdx) {
            unsigned phaseIdx = switchIdx;
            const unsigned compIdx = switchIdx + 1;
            if (switchIdx >= lowestPhaseIdx) {
                ++phaseIdx;
            }

            if (phaseIsPresent(phaseIdx)) {
                (*this)[switch0Idx + switchIdx] = FsToolbox::value(fluidState.saturation(phaseIdx));
                Valgrind::CheckDefined((*this)[switch0Idx + switchIdx]);
            }
            else {
                (*this)[switch0Idx + switchIdx] =
                    FsToolbox::value(fluidState.moleFraction(lowestPhaseIdx, compIdx));
                Valgrind::CheckDefined((*this)[switch0Idx + switchIdx]);
            }
        }

        // set the mole fractions in of the remaining components in
        // the phase with the lowest index
        for (unsigned compIdx = numPhases - 1; compIdx < numComponents - 1; ++compIdx) {
            (*this)[switch0Idx + compIdx] =
                FsToolbox::value(fluidState.moleFraction(lowestPhaseIdx, compIdx + 1));
            Valgrind::CheckDefined((*this)[switch0Idx + compIdx]);
        }
    }

    void print(std::ostream& os) const
    {
        os << "(p_" << FluidSystem::phaseName(0) << " = "
           << (*this)[pressure0Idx];
        const unsigned lowestPhaseIdx = lowestPresentPhaseIdx();
        for (unsigned switchIdx = 0; switchIdx < numPhases - 1; ++switchIdx) {
            unsigned phaseIdx = switchIdx;
            const unsigned compIdx = switchIdx + 1;
            if (phaseIdx >= lowestPhaseIdx) {
                ++phaseIdx; // skip the saturation of the present
                            // phase with the lowest index
            }

            if (phaseIsPresent(phaseIdx)) {
                os << ", S_" << FluidSystem::phaseName(phaseIdx) << " = "
                   << (*this)[switch0Idx + switchIdx];
            }
            else {
                os << ", x_" << FluidSystem::phaseName(lowestPhaseIdx) << "^"
                   << FluidSystem::componentName(compIdx) << " = "
                   << (*this)[switch0Idx + switchIdx];
            }
        }
        for (unsigned compIdx = numPhases - 1; compIdx < numComponents - 1; ++compIdx) {
            os << ", x_" << FluidSystem::phaseName(lowestPhaseIdx) << "^"
               << FluidSystem::componentName(compIdx + 1) << " = "
               << (*this)[switch0Idx + compIdx];
        }
        os << ")";
        os << ", phase presence: " << static_cast<int>(phasePresence_) << std::flush;
    }

private:
    short phasePresence_{};
};

} // namespace Opm

#endif