cuvetteproblem.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_CUVETTE_PROBLEM_HH
#define EWOMS_CUVETTE_PROBLEM_HH
 
#include <opm/models/pvs/pvsproperties.hh>
 
#include <opm/material/fluidstates/CompositionalFluidState.hpp>
#include <opm/material/fluidstates/ImmiscibleFluidState.hpp>
#include <opm/material/fluidsystems/H2OAirMesityleneFluidSystem.hpp>
#include <opm/material/fluidmatrixinteractions/ThreePhaseParkerVanGenuchten.hpp>
#include <opm/material/fluidmatrixinteractions/LinearMaterial.hpp>
#include <opm/material/thermal/ConstantSolidHeatCapLaw.hpp>
#include <opm/material/thermal/SomertonThermalConductionLaw.hpp>
#include <opm/material/constraintsolvers/MiscibleMultiPhaseComposition.hpp>
#include <opm/material/fluidmatrixinteractions/MaterialTraits.hpp>
#include <opm/material/common/Valgrind.hpp>
 
#include <dune/grid/yaspgrid.hh>
#include <dune/grid/io/file/dgfparser/dgfyasp.hh>
 
#include <dune/common/version.hh>
#include <dune/common/fvector.hh>
#include <dune/common/fmatrix.hh>
 
#include <string>
 
namespace Opm {
template <class TypeTag>
class CuvetteProblem;
}
 
namespace Opm::Properties {
 
 
// create a new type tag for the cuvette steam injection problem
namespace TTag {
struct CuvetteBaseProblem {};
}
 
// Set the grid type
template<class TypeTag>
struct Grid<TypeTag, TTag::CuvetteBaseProblem> { using type = Dune::YaspGrid<2>; };
 
// Set the problem property
template<class TypeTag>
struct Problem<TypeTag, TTag::CuvetteBaseProblem> { using type = Opm::CuvetteProblem<TypeTag>; };
 
// Set the fluid system
template<class TypeTag>
struct FluidSystem<TypeTag, TTag::CuvetteBaseProblem>
{ using type = Opm::H2OAirMesityleneFluidSystem<GetPropType<TypeTag, Properties::Scalar>>; };
 
// Set the material Law
template<class TypeTag>
struct MaterialLaw<TypeTag, TTag::CuvetteBaseProblem>
{
private:
    using Scalar = GetPropType<TypeTag, Properties::Scalar>;
    using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>;
 
    using Traits = Opm::ThreePhaseMaterialTraits<
        Scalar,
        /*wettingPhaseIdx=*/FluidSystem::waterPhaseIdx,
        /*nonWettingPhaseIdx=*/FluidSystem::naplPhaseIdx,
        /*gasPhaseIdx=*/FluidSystem::gasPhaseIdx,
        /* hysteresis */ false,
        /* endpointscaling */ false>;
 
public:
    using type = Opm::ThreePhaseParkerVanGenuchten<Traits>;
};
 
// set the energy storage law for the solid phase
template<class TypeTag>
struct SolidEnergyLaw<TypeTag, TTag::CuvetteBaseProblem>
{ using type = Opm::ConstantSolidHeatCapLaw<GetPropType<TypeTag, Properties::Scalar>>; };
 
// Set the thermal conduction law
template<class TypeTag>
struct ThermalConductionLaw<TypeTag, TTag::CuvetteBaseProblem>
{
private:
    using Scalar = GetPropType<TypeTag, Properties::Scalar>;
    using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>;
 
public:
    // define the material law parameterized by absolute saturations
    using type = Opm::SomertonThermalConductionLaw<FluidSystem, Scalar>;
};
 
} // namespace Opm::Properties
 
namespace Opm {
template <class TypeTag>
class CuvetteProblem : public GetPropType<TypeTag, Properties::BaseProblem>
{
    using ParentType = GetPropType<TypeTag, Properties::BaseProblem>;
 
    using Scalar = GetPropType<TypeTag, Properties::Scalar>;
    using GridView = GetPropType<TypeTag, Properties::GridView>;
    using MaterialLaw = GetPropType<TypeTag, Properties::MaterialLaw>;
    using MaterialLawParams = GetPropType<TypeTag, Properties::MaterialLawParams>;
    using ThermalConductionLawParams = GetPropType<TypeTag, Properties::ThermalConductionLawParams>;
    using SolidEnergyLawParams = GetPropType<TypeTag, Properties::SolidEnergyLawParams>;
    using EqVector = GetPropType<TypeTag, Properties::EqVector>;
    using PrimaryVariables = GetPropType<TypeTag, Properties::PrimaryVariables>;
    using RateVector = GetPropType<TypeTag, Properties::RateVector>;
    using BoundaryRateVector = GetPropType<TypeTag, Properties::BoundaryRateVector>;
    using Simulator = GetPropType<TypeTag, Properties::Simulator>;
    using Model = GetPropType<TypeTag, Properties::Model>;
    using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>;
 
    // copy some indices for convenience
    using Indices = GetPropType<TypeTag, Properties::Indices>;
    enum { numPhases = FluidSystem::numPhases };
    enum { numComponents = FluidSystem::numComponents };
    enum { waterPhaseIdx = FluidSystem::waterPhaseIdx };
    enum { naplPhaseIdx = FluidSystem::naplPhaseIdx };
    enum { gasPhaseIdx = FluidSystem::gasPhaseIdx };
    enum { H2OIdx = FluidSystem::H2OIdx };
    enum { airIdx = FluidSystem::airIdx };
    enum { NAPLIdx = FluidSystem::NAPLIdx };
    enum { conti0EqIdx = Indices::conti0EqIdx };
 
    // Grid and world dimension
    enum { dimWorld = GridView::dimensionworld };
 
    using CoordScalar = typename GridView::ctype;
    using GlobalPosition = Dune::FieldVector<CoordScalar, dimWorld>;
    using DimMatrix = Dune::FieldMatrix<Scalar, dimWorld, dimWorld>;
 
public:
    explicit CuvetteProblem(Simulator& simulator)
        : ParentType(simulator)
        , eps_(1e-6)
    { }
 
    void finishInit()
    {
        ParentType::finishInit();
 
        if (Opm::Valgrind::IsRunning())
            FluidSystem::init(/*minT=*/283.15, /*maxT=*/500.0, /*nT=*/20,
                              /*minp=*/0.8e5, /*maxp=*/2e5, /*np=*/10);
        else
            FluidSystem::init(/*minT=*/283.15, /*maxT=*/500.0, /*nT=*/200,
                              /*minp=*/0.8e5, /*maxp=*/2e5, /*np=*/100);
 
        // intrinsic permeabilities
        fineK_ = this->toDimMatrix_(6.28e-12);
        coarseK_ = this->toDimMatrix_(9.14e-10);
 
        // porosities
        finePorosity_ = 0.42;
        coarsePorosity_ = 0.42;
 
        // parameters for the capillary pressure law
#if 1
        // three-phase Parker -- van Genuchten law
        fineMaterialParams_.setVgAlpha(0.0005);
        coarseMaterialParams_.setVgAlpha(0.005);
        fineMaterialParams_.setVgN(4.0);
        coarseMaterialParams_.setVgN(4.0);
 
        coarseMaterialParams_.setkrRegardsSnr(true);
        fineMaterialParams_.setkrRegardsSnr(true);
 
        // residual saturations
        fineMaterialParams_.setSwr(0.1201);
        fineMaterialParams_.setSwrx(0.1201);
        fineMaterialParams_.setSnr(0.0701);
        fineMaterialParams_.setSgr(0.0101);
        coarseMaterialParams_.setSwr(0.1201);
        coarseMaterialParams_.setSwrx(0.1201);
        coarseMaterialParams_.setSnr(0.0701);
        coarseMaterialParams_.setSgr(0.0101);
#else
        // linear material law
        fineMaterialParams_.setPcMinSat(gasPhaseIdx, 0);
        fineMaterialParams_.setPcMaxSat(gasPhaseIdx, 0);
        fineMaterialParams_.setPcMinSat(naplPhaseIdx, 0);
        fineMaterialParams_.setPcMaxSat(naplPhaseIdx, -1000);
        fineMaterialParams_.setPcMinSat(waterPhaseIdx, 0);
        fineMaterialParams_.setPcMaxSat(waterPhaseIdx, -10000);
 
        coarseMaterialParams_.setPcMinSat(gasPhaseIdx, 0);
        coarseMaterialParams_.setPcMaxSat(gasPhaseIdx, 0);
        coarseMaterialParams_.setPcMinSat(naplPhaseIdx, 0);
        coarseMaterialParams_.setPcMaxSat(naplPhaseIdx, -100);
        coarseMaterialParams_.setPcMinSat(waterPhaseIdx, 0);
        coarseMaterialParams_.setPcMaxSat(waterPhaseIdx, -1000);
 
        // residual saturations
        fineMaterialParams_.setResidSat(waterPhaseIdx, 0.1201);
        fineMaterialParams_.setResidSat(naplPhaseIdx, 0.0701);
        fineMaterialParams_.setResidSat(gasPhaseIdx, 0.0101);
 
        coarseMaterialParams_.setResidSat(waterPhaseIdx, 0.1201);
        coarseMaterialParams_.setResidSat(naplPhaseIdx, 0.0701);
        coarseMaterialParams_.setResidSat(gasPhaseIdx, 0.0101);
#endif
 
        fineMaterialParams_.finalize();
        coarseMaterialParams_.finalize();
 
        // initialize parameters for the thermal conduction law
        computeThermalCondParams_(thermalCondParams_, finePorosity_);
 
        // assume constant volumetric heat capacity and granite
        solidEnergyLawParams_.setSolidHeatCapacity(790.0 // specific heat capacity of granite [J / (kg K)]
                                                   * 2700.0); // density of granite [kg/m^3]
        solidEnergyLawParams_.finalize();
 
        initInjectFluidState_();
    }
 
    static void registerParameters()
    {
        ParentType::registerParameters();
 
        Parameters::SetDefault<Parameters::GridFile>("./data/cuvette_11x4.dgf");
        Parameters::SetDefault<Parameters::EndTime<Scalar>>(100.0);
        Parameters::SetDefault<Parameters::InitialTimeStepSize<Scalar>>(1.0);
        Parameters::SetDefault<Parameters::MaxTimeStepSize<Scalar>>(600.0);
        Parameters::SetDefault<Parameters::EnableGravity>(true);
    }
 
 
    bool shouldWriteRestartFile() const
    { return true; }
 
    std::string name() const
    { return std::string("cuvette_") + Model::name(); }
 
    void endTimeStep()
    {
#ifndef NDEBUG
        this->model().checkConservativeness();
 
        // Calculate storage terms
        EqVector storage;
        this->model().globalStorage(storage);
 
        // Write mass balance information for rank 0
        if (this->gridView().comm().rank() == 0) {
            std::cout << "Storage: " << storage << std::endl << std::flush;
        }
#endif // NDEBUG
    }
 
 
 
    template <class Context>
    Scalar temperature(const Context& /*context*/,
                       unsigned /*spaceIdx*/,
                       unsigned /*timeIdx*/) const
    { return 293.15; /* [K] */ }
 
    template <class Context>
    const DimMatrix& intrinsicPermeability(const Context& context, unsigned spaceIdx,
                                           unsigned timeIdx) const
    {
        const GlobalPosition& pos = context.pos(spaceIdx, timeIdx);
        if (isFineMaterial_(pos))
            return fineK_;
        return coarseK_;
    }
 
    template <class Context>
    Scalar porosity(const Context& context, unsigned spaceIdx, unsigned timeIdx) const
    {
        const GlobalPosition& pos = context.pos(spaceIdx, timeIdx);
        if (isFineMaterial_(pos))
            return finePorosity_;
        else
            return coarsePorosity_;
    }
 
    template <class Context>
    const MaterialLawParams& materialLawParams(const Context& context,
                                               unsigned spaceIdx, unsigned timeIdx) const
    {
        const GlobalPosition& pos = context.pos(spaceIdx, timeIdx);
        if (isFineMaterial_(pos))
            return fineMaterialParams_;
        else
            return coarseMaterialParams_;
    }
 
    template <class Context>
    const ThermalConductionLawParams &
    thermalConductionParams(const Context& /*context*/,
                         unsigned /*spaceIdx*/,
                         unsigned /*timeIdx*/) const
    { return thermalCondParams_; }
 
 
 
    template <class Context>
    void boundary(BoundaryRateVector& values, const Context& context,
                  unsigned spaceIdx, unsigned timeIdx) const
    {
        const auto& pos = context.pos(spaceIdx, timeIdx);
 
        if (onRightBoundary_(pos)) {
            Opm::CompositionalFluidState<Scalar, FluidSystem> fs;
 
            initialFluidState_(fs, context, spaceIdx, timeIdx);
 
            values.setFreeFlow(context, spaceIdx, timeIdx, fs);
            values.setNoFlow();
        }
        else if (onLeftBoundary_(pos)) {
            // injection
            RateVector molarRate;
 
            // inject with the same composition as the gas phase of
            // the injection fluid state
            Scalar molarInjectionRate = 0.3435; // [mol/(m^2 s)]
            for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx)
                molarRate[conti0EqIdx + compIdx] =
                    -molarInjectionRate
                    * injectFluidState_.moleFraction(gasPhaseIdx, compIdx);
 
            // calculate the total mass injection rate [kg / (m^2 s)
            Scalar massInjectionRate =
                molarInjectionRate
                * injectFluidState_.averageMolarMass(gasPhaseIdx);
 
            // set the boundary rate vector [J / (m^2 s)]
            values.setMolarRate(molarRate);
            values.setEnthalpyRate(-injectFluidState_.enthalpy(gasPhaseIdx) * massInjectionRate);
        }
        else
            values.setNoFlow();
    }
 
 
 
    template <class Context>
    void initial(PrimaryVariables& values, const Context& context, unsigned spaceIdx,
                 unsigned timeIdx) const
    {
        Opm::CompositionalFluidState<Scalar, FluidSystem> fs;
 
        initialFluidState_(fs, context, spaceIdx, timeIdx);
 
        const auto& matParams = materialLawParams(context, spaceIdx, timeIdx);
        values.assignMassConservative(fs, matParams, /*inEquilibrium=*/false);
    }
 
    template <class Context>
    void source(RateVector& rate,
                const Context& /*context*/,
                unsigned /*spaceIdx*/,
                unsigned /*timeIdx*/) const
    { rate = Scalar(0.0); }
 
 
private:
    bool onLeftBoundary_(const GlobalPosition& pos) const
    { return pos[0] < eps_; }
 
    bool onRightBoundary_(const GlobalPosition& pos) const
    { return pos[0] > this->boundingBoxMax()[0] - eps_; }
 
    bool onLowerBoundary_(const GlobalPosition& pos) const
    { return pos[1] < eps_; }
 
    bool onUpperBoundary_(const GlobalPosition& pos) const
    { return pos[1] > this->boundingBoxMax()[1] - eps_; }
 
    bool isContaminated_(const GlobalPosition& pos) const
    {
        return (0.20 <= pos[0]) && (pos[0] <= 0.80) && (0.4 <= pos[1])
               && (pos[1] <= 0.65);
    }
 
    bool isFineMaterial_(const GlobalPosition& pos) const
    {
        if (0.13 <= pos[0] && 1.20 >= pos[0] && 0.32 <= pos[1] && pos[1] <= 0.57)
            return true;
        else if (pos[1] <= 0.15 && 1.20 <= pos[0])
            return true;
        else
            return false;
    }
 
    template <class FluidState, class Context>
    void initialFluidState_(FluidState& fs, const Context& context,
                            unsigned spaceIdx, unsigned timeIdx) const
    {
        const GlobalPosition& pos = context.pos(spaceIdx, timeIdx);
 
        fs.setTemperature(293.0 /*[K]*/);
 
        Scalar pw = 1e5;
 
        if (isContaminated_(pos)) {
            fs.setSaturation(waterPhaseIdx, 0.12);
            fs.setSaturation(naplPhaseIdx, 0.07);
            fs.setSaturation(gasPhaseIdx, 1 - 0.12 - 0.07);
 
            // set the capillary pressures
            const auto& matParams = materialLawParams(context, spaceIdx, timeIdx);
            Scalar pc[numPhases];
            MaterialLaw::capillaryPressures(pc, matParams, fs);
            for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
                fs.setPressure(phaseIdx, pw + (pc[phaseIdx] - pc[waterPhaseIdx]));
 
            // compute the phase compositions
            using MMPC = Opm::MiscibleMultiPhaseComposition<Scalar, FluidSystem>;
            typename FluidSystem::template ParameterCache<Scalar> paramCache;
            MMPC::solve(fs, paramCache, /*setViscosity=*/true, /*setEnthalpy=*/true);
        }
        else {
            fs.setSaturation(waterPhaseIdx, 0.12);
            fs.setSaturation(gasPhaseIdx, 1 - fs.saturation(waterPhaseIdx));
            fs.setSaturation(naplPhaseIdx, 0);
 
            // set the capillary pressures
            const auto& matParams = materialLawParams(context, spaceIdx, timeIdx);
            Scalar pc[numPhases];
            MaterialLaw::capillaryPressures(pc, matParams, fs);
            for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx)
                fs.setPressure(phaseIdx, pw + (pc[phaseIdx] - pc[waterPhaseIdx]));
 
            // compute the phase compositions
            using MMPC = Opm::MiscibleMultiPhaseComposition<Scalar, FluidSystem>;
            typename FluidSystem::template ParameterCache<Scalar> paramCache;
            MMPC::solve(fs, paramCache, /*setViscosity=*/true, /*setEnthalpy=*/true);
 
            // set the contaminant mole fractions to zero. this is a little bit hacky...
            for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
                fs.setMoleFraction(phaseIdx, NAPLIdx, 0.0);
 
                if (phaseIdx == naplPhaseIdx)
                    continue;
 
                Scalar sumx = 0;
                for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx)
                    sumx += fs.moleFraction(phaseIdx, compIdx);
 
                for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx)
                    fs.setMoleFraction(phaseIdx, compIdx,
                                       fs.moleFraction(phaseIdx, compIdx) / sumx);
            }
        }
    }
 
    void computeThermalCondParams_(ThermalConductionLawParams& params, Scalar poro)
    {
        Scalar lambdaGranite = 2.8; // [W / (K m)]
 
        // create a Fluid state which has all phases present
        Opm::ImmiscibleFluidState<Scalar, FluidSystem> fs;
        fs.setTemperature(293.15);
        for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
            fs.setPressure(phaseIdx, 1.0135e5);
        }
 
        typename FluidSystem::template ParameterCache<Scalar> paramCache;
        paramCache.updateAll(fs);
        for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
            Scalar rho = FluidSystem::density(fs, paramCache, phaseIdx);
            fs.setDensity(phaseIdx, rho);
        }
 
        for (unsigned phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) {
            Scalar lambdaSaturated;
            if (FluidSystem::isLiquid(phaseIdx)) {
                Scalar lambdaFluid = FluidSystem::thermalConductivity(fs, paramCache, phaseIdx);
                lambdaSaturated =
                    std::pow(lambdaGranite, (1 - poro))
                    +
                    std::pow(lambdaFluid, poro);
            }
            else
                lambdaSaturated = std::pow(lambdaGranite, (1 - poro));
 
            params.setFullySaturatedLambda(phaseIdx, lambdaSaturated);
            if (!FluidSystem::isLiquid(phaseIdx))
                params.setVacuumLambda(lambdaSaturated);
        }
    }
 
    void initInjectFluidState_()
    {
        injectFluidState_.setTemperature(383.0);         // [K]
        injectFluidState_.setPressure(gasPhaseIdx, 1e5);   // [Pa]
        injectFluidState_.setSaturation(gasPhaseIdx, 1.0); // [-]
 
        Scalar xgH2O = 0.417;
        injectFluidState_.setMoleFraction(gasPhaseIdx, H2OIdx, xgH2O);     // [-]
        injectFluidState_.setMoleFraction(gasPhaseIdx, airIdx, 1 - xgH2O); // [-]
        injectFluidState_.setMoleFraction(gasPhaseIdx, NAPLIdx, 0.0);      // [-]
 
        // set the specific enthalpy of the gas phase
        typename FluidSystem::template ParameterCache<Scalar> paramCache;
        paramCache.updatePhase(injectFluidState_, gasPhaseIdx);
 
        Scalar h = FluidSystem::enthalpy(injectFluidState_, paramCache, gasPhaseIdx);
        injectFluidState_.setEnthalpy(gasPhaseIdx, h);
    }
 
    DimMatrix fineK_;
    DimMatrix coarseK_;
 
    Scalar finePorosity_;
    Scalar coarsePorosity_;
 
    MaterialLawParams fineMaterialParams_;
    MaterialLawParams coarseMaterialParams_;
 
    ThermalConductionLawParams thermalCondParams_;
    SolidEnergyLawParams solidEnergyLawParams_;
 
    Opm::CompositionalFluidState<Scalar, FluidSystem> injectFluidState_;
 
    const Scalar eps_;
};
} // namespace Opm
 
#endif