test/porousmediumflow/1pnc/implicit/1p3c/problem.hh

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#ifndef DUMUX_1P3C_TEST_PROBLEM_HH
#define DUMUX_1P3C_TEST_PROBLEM_HH
 
#if HAVE_UG
#include <dune/grid/uggrid.hh>
#endif
#include <dune/grid/yaspgrid.hh>
 
#include <dumux/discretization/cctpfa.hh>
#include <dumux/discretization/box.hh>
#include <dumux/discretization/evalsolution.hh>
#include <dumux/discretization/evalgradients.hh>
#include <dumux/porousmediumflow/1pnc/model.hh>
#include <dumux/porousmediumflow/problem.hh>
 
#include <dumux/material/idealgas.hh>
#include <dumux/material/fluidsystems/base.hh>
 
#include "../1p2c/spatialparams.hh"
 
#include <dumux/io/gnuplotinterface.hh>
#include <dumux/flux/maxwellstefanslaw.hh>
 
namespace Dumux {
 
template <class TypeTag>
class MaxwellStefanOnePThreeCTestProblem;
 
namespace Properties {
 
// Create new type tags
namespace TTag {
struct MaxwellStefanOnePThreeCTest { using InheritsFrom = std::tuple<OnePNC>; };
struct MaxwellStefanOnePThreeCTestBox { using InheritsFrom = std::tuple<MaxwellStefanOnePThreeCTest, BoxModel>; };
struct MaxwellStefanOnePThreeCTestCCTpfa { using InheritsFrom = std::tuple<MaxwellStefanOnePThreeCTest, CCTpfaModel>; };
} // end namespace TTag
 
// Set the grid type
#if HAVE_UG
template<class TypeTag>
struct Grid<TypeTag, TTag::MaxwellStefanOnePThreeCTest> { using type = Dune::UGGrid<2>; };
#else
template<class TypeTag>
struct Grid<TypeTag, TTag::MaxwellStefanOnePThreeCTest> { using type = Dune::YaspGrid<2>; };
#endif
 
// Set the problem property
template<class TypeTag>
struct Problem<TypeTag, TTag::MaxwellStefanOnePThreeCTest> { using type = MaxwellStefanOnePThreeCTestProblem<TypeTag>; };
 
template<class TypeTag>
class H2N2CO2FluidSystem
: public FluidSystems::Base<GetPropType<TypeTag, Properties::Scalar>, H2N2CO2FluidSystem<TypeTag>>
 
{
    using Scalar = GetPropType<TypeTag, Properties::Scalar>;
    using ThisType = H2N2CO2FluidSystem<TypeTag>;
    using Base = FluidSystems::Base<Scalar, ThisType>;
    using IdealGas = Dumux::IdealGas<Scalar>;
 
public:
    static constexpr int numPhases = 1;
    static constexpr int numComponents = 3;
 
    static constexpr int H2Idx = 0; //first major component
    static constexpr int N2Idx = 1; //second major component
    static constexpr int CO2Idx = 2; //secondary component
 
    static std::string componentName(int compIdx)
    { return "MaxwellStefan_" + std::to_string(compIdx); }
 
    static std::string phaseName(int phaseIdx = 0)
    { return "Gas"; }
 
    static Scalar molarMass(unsigned int compIdx)
    {
        switch (compIdx)
        {
        case H2Idx: return 0.002;
        case N2Idx: return 0.028;
        case CO2Idx:return 0.044;
        }
        DUNE_THROW(Dune::InvalidStateException, "Invalid component index " << compIdx);;
    }
 
    using Base::binaryDiffusionCoefficient;
    template <class FluidState>
    static Scalar binaryDiffusionCoefficient(const FluidState &fluidState,
                                             int phaseIdx,
                                             int compIIdx,
                                             int compJIdx)
    {
        if (compIIdx > compJIdx)
        {
            using std::swap;
            swap(compIIdx, compJIdx);
        }
 
        if (compIIdx == H2Idx && compJIdx == N2Idx)
                return 83.3e-6;
        if (compIIdx == H2Idx && compJIdx == CO2Idx)
                return 68.0e-6;
        if (compIIdx == N2Idx && compJIdx == CO2Idx)
                return 16.8e-6;
        DUNE_THROW(Dune::InvalidStateException,
                       "Binary diffusion coefficient of components "
                       << compIIdx << " and " << compJIdx << " is undefined!\n");
    }
    using Base::density;
    template <class FluidState>
    static Scalar density(const FluidState &fluidState,
                          const int phaseIdx)
    {
        Scalar T = fluidState.temperature(phaseIdx);
        Scalar p = fluidState.pressure(phaseIdx);
        return IdealGas::molarDensity(T, p) * fluidState.averageMolarMass(0);
    }
 
    using Base::viscosity;
    template <class FluidState>
    static Scalar viscosity(const FluidState &fluidState,
                            int phaseIdx)
    {
        return 1e-6;
    }
 
    using Base::molarDensity;
    template <class FluidState>
    static Scalar molarDensity(const FluidState &fluidState, int phaseIdx)
    {
        Scalar T = fluidState.temperature(phaseIdx);
        Scalar p = fluidState.pressure(phaseIdx);
        return IdealGas::molarDensity(T,p);
    }
};
 
// Set fluid configuration
template<class TypeTag>
struct FluidSystem<TypeTag, TTag::MaxwellStefanOnePThreeCTest>
{using type = H2N2CO2FluidSystem<TypeTag>; };
 
// Set the spatial parameters
template<class TypeTag>
struct SpatialParams<TypeTag, TTag::MaxwellStefanOnePThreeCTest>
{
    using GridGeometry = GetPropType<TypeTag, Properties::GridGeometry>;
    using Scalar = GetPropType<TypeTag, Properties::Scalar>;
    using type = OnePNCTestSpatialParams<GridGeometry, Scalar>;
};
 
// Define whether mole(true) or mass (false) fractions are used
template<class TypeTag>
struct UseMoles<TypeTag, TTag::MaxwellStefanOnePThreeCTest> { static constexpr bool value = true; };
 
template<class TypeTag>
struct MolecularDiffusionType<TypeTag, TTag::MaxwellStefanOnePThreeCTest> { using type = MaxwellStefansLaw<TypeTag>; };
}
 
template <class TypeTag>
class MaxwellStefanOnePThreeCTestProblem : public PorousMediumFlowProblem<TypeTag>
{
    using ParentType = PorousMediumFlowProblem<TypeTag>;
 
    using Scalar = GetPropType<TypeTag, Properties::Scalar>;
    using Indices = typename GetPropType<TypeTag, Properties::ModelTraits>::Indices;
    using GridView = GetPropType<TypeTag, Properties::GridView>;
    using BoundaryTypes = GetPropType<TypeTag, Properties::BoundaryTypes>;
    using PrimaryVariables = GetPropType<TypeTag, Properties::PrimaryVariables>;
    using NumEqVector = GetPropType<TypeTag, Properties::NumEqVector>;
    using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>;
    using GridGeometry = GetPropType<TypeTag, Properties::GridGeometry>;
    using SolutionVector = GetPropType<TypeTag, Properties::SolutionVector>;
    using VolumeVariables = GetPropType<TypeTag, Properties::VolumeVariables>;
 
    static constexpr bool useMoles = getPropValue<TypeTag, Properties::UseMoles>();
 
    using Element = typename GridGeometry::GridView::template Codim<0>::Entity;
    using GlobalPosition = typename Element::Geometry::GlobalCoordinate;
 
public:
    MaxwellStefanOnePThreeCTestProblem(std::shared_ptr<const GridGeometry> gridGeometry)
    : ParentType(gridGeometry)
    {
        name_ = getParam<std::string>("Problem.Name");
 
        // stating in the terminal whether mole or mass fractions are used
        if (useMoles)
            std::cout<<"problem uses mole fractions" << '\n';
        else
            std::cout<<"problem uses mass fractions" << '\n';
 
        plotOutput_ = false;
    }
 
    // \{
 
    const std::string& name() const
    { return name_; }
 
 
    Scalar temperature() const
    { return 273.15 + 20; } // in [K]
 
    void plotComponentsOverTime(const SolutionVector& curSol, Scalar time)
    {
        if (plotOutput_)
        {
            Scalar x_co2_left = 0.0;
            Scalar x_n2_left = 0.0;
            Scalar x_co2_right = 0.0;
            Scalar x_n2_right = 0.0;
            Scalar x_h2_left = 0.0;
            Scalar x_h2_right = 0.0;
            Scalar i = 0.0;
            Scalar j = 0.0;
            if (!(time < 0.0))
            {
                for (const auto& element : elements(this->gridGeometry().gridView()))
                {
                    auto fvGeometry = localView(this->gridGeometry());
                    fvGeometry.bindElement(element);
 
                    const auto elemSol = elementSolution(element, curSol, this->gridGeometry());
                    for (auto&& scv : scvs(fvGeometry))
                    {
                        const auto& globalPos = scv.dofPosition();
                        VolumeVariables volVars;
                        volVars.update(elemSol, *this, element, scv);
 
                        if (globalPos[0] < 0.5)
                        {
                            x_co2_left += volVars.moleFraction(0,2);
 
                            x_n2_left += volVars.moleFraction(0,1);
                            x_h2_left += volVars.moleFraction(0,0);
                            i +=1;
                        }
                        else
                        {
                            x_co2_right += volVars.moleFraction(0,2);
                            x_n2_right += volVars.moleFraction(0,1);
                            x_h2_right += volVars.moleFraction(0,0);
                            j +=1;
                        }
                    }
                }
                x_co2_left /= i;
                x_n2_left /= i;
                x_h2_left /= i;
                x_co2_right /= j;
                x_n2_right /= j;
                x_h2_right /= j;
 
                // do a gnuplot
                x_.push_back(time); // in seconds
                y_.push_back(x_n2_left);
                y2_.push_back(x_n2_right);
                y3_.push_back(x_co2_left);
                y4_.push_back(x_co2_right);
                y5_.push_back(x_h2_left);
                y6_.push_back(x_h2_right);
 
                gnuplot_.resetPlot();
                gnuplot_.setXRange(0, std::min(time, 72000.0));
                gnuplot_.setYRange(0.4, 0.6);
                gnuplot_.setXlabel("time [s]");
                gnuplot_.setYlabel("mole fraction mol/mol");
                gnuplot_.addDataSetToPlot(x_, y_, "N2_left.dat", "w l t 'N_2 left'");
                gnuplot_.addDataSetToPlot(x_, y2_, "N2_right.dat", "w l t 'N_2 right'");
                gnuplot_.plot("mole_fraction_N2");
 
                gnuplot2_.resetPlot();
                gnuplot2_.setXRange(0, std::min(time, 72000.0));
                gnuplot2_.setYRange(0.0, 0.6);
                gnuplot2_.setXlabel("time [s]");
                gnuplot2_.setYlabel("mole fraction mol/mol");
                gnuplot2_.addDataSetToPlot(x_, y3_, "CO2_left.dat", "w l t 'CO_2 left'");
                gnuplot2_.addDataSetToPlot(x_, y4_, "CO2_right.dat", "w l t 'CO_2 right");
                gnuplot2_.plot("mole_fraction_CO2");
 
                gnuplot3_.resetPlot();
                gnuplot3_.setXRange(0, std::min(time, 72000.0));
                gnuplot3_.setYRange(0.0, 0.6);
                gnuplot3_.setXlabel("time [s]");
                gnuplot3_.setYlabel("mole fraction mol/mol");
                gnuplot3_.addDataSetToPlot(x_, y5_, "H2_left.dat", "w l t 'H_2 left'");
                gnuplot3_.addDataSetToPlot(x_, y6_, "H2_right.dat", "w l t 'H_2 right'");
                gnuplot3_.plot("mole_fraction_H2");
           }
        }
    }
 
    // \}
 
    // \{
 
    BoundaryTypes boundaryTypesAtPos(const GlobalPosition &globalPos) const
    {
        BoundaryTypes values;
        values.setAllNeumann();
        return values;
    }
 
    NumEqVector neumannAtPos(const GlobalPosition& globalPos) const
    { return NumEqVector(0.0); }
 
    // \}
 
    // \{
 
    PrimaryVariables initialAtPos(const GlobalPosition &globalPos) const
    {
        PrimaryVariables initialValues(0.0);
        if (globalPos[0] < 0.5)
        {
           initialValues[Indices::pressureIdx] = 1e5;
           initialValues[FluidSystem::N2Idx] = 0.50086;
           initialValues[FluidSystem::CO2Idx] = 0.49914;
        }
        else
        {
           initialValues[Indices::pressureIdx] = 1e5;
           initialValues[FluidSystem::N2Idx] = 0.49879;
           initialValues[FluidSystem::CO2Idx] = 0.0;
        }
        return initialValues;
    }
 
    // \}
 
private:
    std::string name_;
 
    Dumux::GnuplotInterface<Scalar> gnuplot_;
    Dumux::GnuplotInterface<Scalar> gnuplot2_;
    Dumux::GnuplotInterface<Scalar> gnuplot3_;
 
    std::vector<Scalar> x_;
    std::vector<Scalar> y_;
    std::vector<Scalar> y2_;
    std::vector<Scalar> y3_;
    std::vector<Scalar> y4_;
    std::vector<Scalar> y5_;
    std::vector<Scalar> y6_;
 
    bool plotOutput_;
};
 
} // end namespace Dumux
 
#endif