ncpmodel.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_NCP_MODEL_HH
#define EWOMS_NCP_MODEL_HH

#include <dune/common/fvector.hh>

#include <opm/common/Exceptions.hpp>

#include <opm/material/common/Valgrind.hpp>
#include <opm/material/densead/Math.hpp>

#include <opm/models/ncp/ncpproperties.hh>
#include <opm/models/ncp/ncplocalresidual.hh>
#include <opm/models/ncp/ncpextensivequantities.hh>
#include <opm/models/ncp/ncpprimaryvariables.hh>
#include <opm/models/ncp/ncpboundaryratevector.hh>
#include <opm/models/ncp/ncpratevector.hh>
#include <opm/models/ncp/ncpintensivequantities.hh>
#include <opm/models/ncp/ncpnewtonmethod.hh>
#include <opm/models/ncp/ncpindices.hh>

#include <opm/models/common/diffusionmodule.hh>
#include <opm/models/common/energymodule.hh>
#include <opm/models/common/multiphasebasemodel.hh>
#include <opm/models/io/vtkcompositionmodule.hpp>
#include <opm/models/io/vtkdiffusionmodule.hpp>
#include <opm/models/io/vtkenergymodule.hpp>

#include <algorithm>
#include <cassert>
#include <cmath>
#include <memory>
#include <sstream>
#include <string>
#include <tuple>
#include <vector>

namespace Opm {

template <class TypeTag>
class NcpModel;

}

namespace Opm::Properties {

namespace TTag {

struct NcpModel { using InheritsFrom = std::tuple<MultiPhaseBaseModel>; };

} // namespace TTag

template<class TypeTag>
struct LocalResidual<TypeTag, TTag::NcpModel>
{ using type = NcpLocalResidual<TypeTag>; };

template<class TypeTag>
struct NewtonMethod<TypeTag, TTag::NcpModel>
{ using type = NcpNewtonMethod<TypeTag>; };

template<class TypeTag>
struct Model<TypeTag, TTag::NcpModel>
{ using type = NcpModel<TypeTag>; };

template<class TypeTag>
struct BaseProblem<TypeTag, TTag::NcpModel>
{ using type = MultiPhaseBaseProblem<TypeTag>; };

template<class TypeTag>
struct EnableEnergy<TypeTag, TTag::NcpModel>
{ static constexpr bool value = false; };

template<class TypeTag>
struct EnableDiffusion<TypeTag, TTag::NcpModel>
{ static constexpr bool value = false; };

template<class TypeTag>
struct RateVector<TypeTag, TTag::NcpModel>
{ using type = NcpRateVector<TypeTag>; };

template<class TypeTag>
struct BoundaryRateVector<TypeTag, TTag::NcpModel>
{ using type = NcpBoundaryRateVector<TypeTag>; };

template<class TypeTag>
struct PrimaryVariables<TypeTag, TTag::NcpModel>
{ using type = NcpPrimaryVariables<TypeTag>; };

template<class TypeTag>
struct IntensiveQuantities<TypeTag, TTag::NcpModel>
{ using type = NcpIntensiveQuantities<TypeTag>; };

template<class TypeTag>
struct ExtensiveQuantities<TypeTag, TTag::NcpModel>
{ using type = NcpExtensiveQuantities<TypeTag>; };

template<class TypeTag>
struct Indices<TypeTag, TTag::NcpModel>
{ using type = NcpIndices<TypeTag, 0>; };

template<class TypeTag>
struct NcpPressureBaseWeight<TypeTag, TTag::NcpModel>
{
    using type = GetPropType<TypeTag, Scalar>;
    static constexpr type value = 1.0;
};

template<class TypeTag>
struct NcpSaturationsBaseWeight<TypeTag, TTag::NcpModel>
{
    using type = GetPropType<TypeTag, Scalar>;
    static constexpr type value = 1.0;
};

template<class TypeTag>
struct NcpFugacitiesBaseWeight<TypeTag, TTag::NcpModel>
{
    using type = GetPropType<TypeTag, Scalar>;
    static constexpr type value = 1.0e-6;
};

} // namespace Opm::Properties

namespace Opm {

template <class TypeTag>
class NcpModel
    : public MultiPhaseBaseModel<TypeTag>
{
    using ParentType = MultiPhaseBaseModel<TypeTag>;

    using Scalar = GetPropType<TypeTag, Properties::Scalar>;
    using Evaluation = GetPropType<TypeTag, Properties::Evaluation>;
    using Simulator = GetPropType<TypeTag, Properties::Simulator>;
    using ElementContext = GetPropType<TypeTag, Properties::ElementContext>;
    using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>;
    using Indices = GetPropType<TypeTag, Properties::Indices>;

    static constexpr int numPhases = FluidSystem::numPhases;
    static constexpr int numComponents = FluidSystem::numComponents;
    static constexpr int fugacity0Idx = Indices::fugacity0Idx;
    enum { pressure0Idx = Indices::pressure0Idx };
    enum { saturation0Idx = Indices::saturation0Idx };
    static constexpr int conti0EqIdx = Indices::conti0EqIdx;
    static constexpr int ncp0EqIdx = Indices::ncp0EqIdx;
    enum { enableDiffusion = getPropValue<TypeTag, Properties::EnableDiffusion>() };
    enum { enableEnergy = getPropValue<TypeTag, Properties::EnableEnergy>() };

    using ComponentVector = Dune::FieldVector<Scalar, numComponents>;

    using Toolbox = MathToolbox<Evaluation>;

    using DiffusionModule = ::Opm::DiffusionModule<TypeTag, enableDiffusion>;
    using EnergyModule = ::Opm::EnergyModule<TypeTag, enableEnergy>;

public:
    explicit NcpModel(Simulator& simulator)
        : ParentType(simulator)
    {}

    static void registerParameters()
    {
        ParentType::registerParameters();

        DiffusionModule::registerParameters();
        EnergyModule::registerParameters();

        // register runtime parameters of the VTK output modules
        VtkCompositionModule<TypeTag>::registerParameters();

        if constexpr (enableDiffusion) {
            VtkDiffusionModule<TypeTag>::registerParameters();
        }

        if constexpr (enableEnergy) {
            VtkEnergyModule<TypeTag>::registerParameters();
        }
    }

    void finishInit()
    {
        ParentType::finishInit();

        minActivityCoeff_.resize(this->numGridDof());
        std::ranges::fill(minActivityCoeff_, 1.0);
    }

    void adaptGrid()
    {
        ParentType::adaptGrid();
        minActivityCoeff_.resize(this->numGridDof());
    }

    static std::string name()
    { return "ncp"; }

    std::string primaryVarName(unsigned pvIdx) const
    {
        const std::string s = EnergyModule::primaryVarName(pvIdx);
        if (!s.empty()) {
            return s;
        }

        std::ostringstream oss;
        if (pvIdx == pressure0Idx) {
            oss << "pressure_" << FluidSystem::phaseName(/*phaseIdx=*/0);
        }
        else if (saturation0Idx <= pvIdx && pvIdx < saturation0Idx + (numPhases - 1)) {
            oss << "saturation_" << FluidSystem::phaseName(/*phaseIdx=*/pvIdx - saturation0Idx);
        }
        else if (fugacity0Idx <= pvIdx && pvIdx < fugacity0Idx + numComponents) {
            oss << "fugacity^" << FluidSystem::componentName(pvIdx - fugacity0Idx);
        }
        else {
            assert(false);
        }

        return oss.str();
    }

    std::string eqName(unsigned eqIdx) const
    {
        const std::string s = EnergyModule::eqName(eqIdx);
        if (!s.empty()) {
            return s;
        }

        std::ostringstream oss;
        if (conti0EqIdx <= eqIdx && eqIdx < conti0EqIdx + numComponents) {
            oss << "continuity^" << FluidSystem::componentName(eqIdx - conti0EqIdx);
        }
        else if (ncp0EqIdx <= eqIdx && eqIdx < ncp0EqIdx + numPhases) {
            oss << "ncp_" << FluidSystem::phaseName(/*phaseIdx=*/eqIdx - ncp0EqIdx);
        }
        else {
            assert(false);
        }

        return oss.str();
    }

    void updateBegin()
    {
        ParentType::updateBegin();

        // find the a reference pressure. The first degree of freedom
        // might correspond to non-interior entities which would lead
        // to an undefined value, so we have to iterate...
        for (unsigned dofIdx = 0; dofIdx < this->numGridDof(); ++dofIdx) {
            if (this->isLocalDof(dofIdx)) {
                referencePressure_ =
                    this->solution(/*timeIdx=*/0)[dofIdx][/*pvIdx=*/Indices::pressure0Idx];
                break;
            }
        }
    }

    void updatePVWeights(const ElementContext& elemCtx) const
    {
        for (unsigned dofIdx = 0; dofIdx < elemCtx.numDof(/*timeIdx=*/0); ++dofIdx) {
            const unsigned globalIdx = elemCtx.globalSpaceIndex(dofIdx, /*timeIdx=*/0);

            for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
                minActivityCoeff_[globalIdx][compIdx] = 1e100;
                for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
                    const auto& fs = elemCtx.intensiveQuantities(dofIdx, /*timeIdx=*/0).fluidState();

                    minActivityCoeff_[globalIdx][compIdx] =
                        std::min(minActivityCoeff_[globalIdx][compIdx],
                                 Toolbox::value(fs.fugacityCoefficient(phaseIdx, compIdx)) *
                                 Toolbox::value(fs.pressure(phaseIdx)));
                    Valgrind::CheckDefined(minActivityCoeff_[globalIdx][compIdx]);
                }
                if (minActivityCoeff_[globalIdx][compIdx] <= 0) {
                    throw NumericalProblem("The minimum activity coefficient for component " +
                                           std::to_string(compIdx) + " on DOF " +
                                           std::to_string(globalIdx) + " is negative or zero!");
                }
            }
        }
    }

    Scalar primaryVarWeight(unsigned globalDofIdx, unsigned pvIdx) const
    {
        const Scalar tmp = EnergyModule::primaryVarWeight(*this, globalDofIdx, pvIdx);
        Scalar result;
        if (tmp > 0) {
            // energy related quantity
            result = tmp;
        }
        else if (fugacity0Idx <= pvIdx && pvIdx < fugacity0Idx + numComponents) {
            // component fugacity
            const unsigned compIdx = pvIdx - fugacity0Idx;
            assert(compIdx <= numComponents);

            Valgrind::CheckDefined(minActivityCoeff_[globalDofIdx][compIdx]);
            constexpr Scalar fugacityBaseWeight =
                getPropValue<TypeTag, Properties::NcpFugacitiesBaseWeight>();
            result = fugacityBaseWeight / minActivityCoeff_[globalDofIdx][compIdx];
        }
        else if (Indices::pressure0Idx == pvIdx) {
            constexpr Scalar pressureBaseWeight =
                getPropValue<TypeTag, Properties::NcpPressureBaseWeight>();
            result = pressureBaseWeight / referencePressure_;
        }
        else {
#ifndef NDEBUG
            const unsigned phaseIdx = pvIdx - saturation0Idx;
            assert(phaseIdx < numPhases - 1);
#endif

            // saturation
            constexpr Scalar saturationsBaseWeight =
                getPropValue<TypeTag, Properties::NcpSaturationsBaseWeight>();
            result = saturationsBaseWeight;
        }

        assert(std::isfinite(result));
        assert(result > 0);

        return result;
    }

    Scalar eqWeight(unsigned globalDofIdx, unsigned eqIdx) const
    {
        const Scalar tmp = EnergyModule::eqWeight(*this, globalDofIdx, eqIdx);
        if (tmp > 0) {
            // an energy related equation
            return tmp;
        }
        // an NCP
        else if (ncp0EqIdx <= eqIdx && eqIdx < Indices::ncp0EqIdx + numPhases) {
            return 1.0;
        }

        // a mass conservation equation
        const unsigned compIdx = eqIdx - Indices::conti0EqIdx;
        assert(compIdx <= numComponents);

        // make all kg equal
        return FluidSystem::molarMass(compIdx);
    }

    Scalar minActivityCoeff(unsigned globalDofIdx, unsigned compIdx) const
    { return minActivityCoeff_[globalDofIdx][compIdx]; }

    void registerOutputModules_()
    {
        ParentType::registerOutputModules_();

        this->addOutputModule(std::make_unique<VtkCompositionModule<TypeTag>>(this->simulator_));
        if constexpr (enableDiffusion) {
            this->addOutputModule(std::make_unique<VtkDiffusionModule<TypeTag>>(this->simulator_));
        }
        if constexpr (enableEnergy) {
            this->addOutputModule(std::make_unique<VtkEnergyModule<TypeTag>>(this->simulator_));
        }
    }

    mutable Scalar referencePressure_;
    mutable std::vector<ComponentVector> minActivityCoeff_;
};

} // namespace Opm

#endif