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 <opm/material/densead/Math.hpp>
 
#include "ncpproperties.hh"
#include "ncplocalresidual.hh"
#include "ncpextensivequantities.hh"
#include "ncpprimaryvariables.hh"
#include "ncpboundaryratevector.hh"
#include "ncpratevector.hh"
#include "ncpintensivequantities.hh"
#include "ncpnewtonmethod.hh"
#include "ncpindices.hh"
 
#include <opm/common/Exceptions.hpp>
 
#include <opm/models/common/multiphasebasemodel.hh>
#include <opm/models/common/energymodule.hh>
#include <opm/models/common/diffusionmodule.hh>
#include <opm/models/io/vtkcompositionmodule.hh>
#include <opm/models/io/vtkenergymodule.hh>
#include <opm/models/io/vtkdiffusionmodule.hh>
 
#include <opm/material/common/Valgrind.hpp>
 
#include <dune/common/fvector.hh>
 
#include <sstream>
#include <string>
#include <vector>
#include <array>
 
namespace Opm {
template <class TypeTag>
class NcpModel;
}
 
namespace Opm::Properties {
 
namespace TTag {
struct NcpModel { using InheritsFrom = std::tuple<VtkDiffusion,
                                                  VtkEnergy,
                                                  VtkComposition,
                                                  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>;
 
    enum { numPhases = FluidSystem::numPhases };
    enum { numComponents = FluidSystem::numComponents };
    enum { fugacity0Idx = Indices::fugacity0Idx };
    enum { pressure0Idx = Indices::pressure0Idx };
    enum { saturation0Idx = Indices::saturation0Idx };
    enum { conti0EqIdx = Indices::conti0EqIdx };
    enum { 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 EnergyModule = Opm::EnergyModule<TypeTag, enableEnergy>;
    using DiffusionModule = Opm::DiffusionModule<TypeTag, enableDiffusion>;
 
public:
    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 (enableDiffusion)
            VtkDiffusionModule<TypeTag>::registerParameters();
 
        if (enableEnergy)
            VtkEnergyModule<TypeTag>::registerParameters();
    }
 
    void finishInit()
    {
        ParentType::finishInit();
 
        minActivityCoeff_.resize(this->numGridDof());
        std::fill(minActivityCoeff_.begin(), minActivityCoeff_.end(), 1.0);
    }
 
    void adaptGrid()
    {
        ParentType::adaptGrid();
        minActivityCoeff_.resize(this->numGridDof());
    }
 
    static std::string name()
    { return "ncp"; }
 
    std::string primaryVarName(unsigned pvIdx) const
    {
        std::string s;
        if (!(s = EnergyModule::primaryVarName(pvIdx)).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
    {
        std::string s;
        if (!(s = EnergyModule::eqName(eqIdx)).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) {
            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
    {
        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
            unsigned compIdx = pvIdx - fugacity0Idx;
            assert(compIdx <= numComponents);
 
            Valgrind::CheckDefined(minActivityCoeff_[globalDofIdx][compIdx]);
            static const Scalar fugacityBaseWeight =
                getPropValue<TypeTag, Properties::NcpFugacitiesBaseWeight>();
            result = fugacityBaseWeight / minActivityCoeff_[globalDofIdx][compIdx];
        }
        else if (Indices::pressure0Idx == pvIdx) {
            static const Scalar pressureBaseWeight = getPropValue<TypeTag, Properties::NcpPressureBaseWeight>();
            result = pressureBaseWeight / referencePressure_;
        }
        else {
#ifndef NDEBUG
            unsigned phaseIdx = pvIdx - saturation0Idx;
            assert(phaseIdx < numPhases - 1);
#endif
 
            // saturation
            static const Scalar saturationsBaseWeight =
                getPropValue<TypeTag, Properties::NcpSaturationsBaseWeight>();
            result = saturationsBaseWeight;
        }
 
        assert(std::isfinite(result));
        assert(result > 0);
 
        return result;
    }
 
    Scalar eqWeight(unsigned globalDofIdx, unsigned eqIdx) 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
        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(new VtkCompositionModule<TypeTag>(this->simulator_));
        if (enableDiffusion)
            this->addOutputModule(new VtkDiffusionModule<TypeTag>(this->simulator_));
        if (enableEnergy)
            this->addOutputModule(new VtkEnergyModule<TypeTag>(this->simulator_));
    }
 
    mutable Scalar referencePressure_;
    mutable std::vector<ComponentVector> minActivityCoeff_;
};
 
} // namespace Opm
 
#endif