test/porousmediumflow/2pnc/implicit/fuelcell/problem.hh

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#ifndef DUMUX_FUELCELL_PROBLEM_HH
#define DUMUX_FUELCELL_PROBLEM_HH
 
#include <dune/grid/yaspgrid.hh>
 
#include <dumux/discretization/elementsolution.hh>
#include <dumux/discretization/cctpfa.hh>
#include <dumux/discretization/box.hh>
#include <dumux/porousmediumflow/2pnc/model.hh>
#include <dumux/porousmediumflow/problem.hh>
#include <dumux/material/fluidsystems/h2on2o2.hh>
#ifdef NONISOTHERMAL
#include <dumux/material/chemistry/electrochemistry/electrochemistryni.hh>
#else
#include <dumux/material/chemistry/electrochemistry/electrochemistry.hh>
#endif
#include "spatialparams.hh"
 
namespace Dumux {
 
template <class TypeTag>
class FuelCellProblem;
 
namespace Properties {
// Create new type tags
namespace TTag {
#ifdef NONISOTHERMAL
struct FuelCell { using InheritsFrom = std::tuple<TwoPNCNI>; };
struct FuelCellNIBox { using InheritsFrom = std::tuple<FuelCell, BoxModel>; };
#else
struct FuelCell { using InheritsFrom = std::tuple<TwoPNC>; };
struct FuelCellBox { using InheritsFrom = std::tuple<FuelCell, BoxModel>; };
struct FuelCellCCTpfa { using InheritsFrom = std::tuple<FuelCell, CCTpfaModel>; };
#endif
} // end namespace TTag
 
// Set the grid type
template<class TypeTag>
struct Grid<TypeTag, TTag::FuelCell> { using type = Dune::YaspGrid<2>; };
 
// Set the problem property
template<class TypeTag>
struct Problem<TypeTag, TTag::FuelCell> { using type = FuelCellProblem<TypeTag>; };
 
// Set the spatial parameters
template<class TypeTag>
struct SpatialParams<TypeTag, TTag::FuelCell>
{
    using GridGeometry = GetPropType<TypeTag, Properties::GridGeometry>;
    using Scalar = GetPropType<TypeTag, Properties::Scalar>;
    using type = FuelCellSpatialParams<GridGeometry, Scalar>;
};
 
// Set the primary variable combination for the 2pnc model
template<class TypeTag>
struct Formulation<TypeTag, TTag::FuelCell>
{ static constexpr auto value = TwoPFormulation::p1s0; };
 
// Set fluid configuration
template<class TypeTag>
struct FluidSystem<TypeTag, TTag::FuelCell>
{
private:
    using Scalar = GetPropType<TypeTag, Properties::Scalar>;
public:
    using type = FluidSystems::H2ON2O2<Scalar>;
};
} // end namespace Properties
 
template <class TypeTag>
class FuelCellProblem : public PorousMediumFlowProblem<TypeTag>
{
    using ParentType = PorousMediumFlowProblem<TypeTag>;
 
    using Scalar = GetPropType<TypeTag, Properties::Scalar>;
    using Indices = typename GetPropType<TypeTag, Properties::ModelTraits>::Indices;
    using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>;
    using BoundaryTypes = GetPropType<TypeTag, Properties::BoundaryTypes>;
    using PrimaryVariables = GetPropType<TypeTag, Properties::PrimaryVariables>;
    using NumEqVector = GetPropType<TypeTag, Properties::NumEqVector>;
    using ElementVolumeVariables = typename GetPropType<TypeTag, Properties::GridVolumeVariables>::LocalView;
    using FVElementGeometry = typename GetPropType<TypeTag, Properties::GridGeometry>::LocalView;
    using SubControlVolume = typename FVElementGeometry::SubControlVolume;
    using GridView = GetPropType<TypeTag, Properties::GridView>;
    using Element = typename GridView::template Codim<0>::Entity;
    using GridGeometry = GetPropType<TypeTag, Properties::GridGeometry>;
    using SolutionVector = GetPropType<TypeTag, Properties::SolutionVector>;
    using VolumeVariables = GetPropType<TypeTag, Properties::VolumeVariables>;
    // Select the electrochemistry method
#ifdef NONISOTHERMAL
    using ElectroChemistry = typename Dumux::ElectroChemistryNI<Scalar, Indices, FluidSystem, GridGeometry, ElectroChemistryModel::Ochs>;
#else
    using ElectroChemistry = typename Dumux::ElectroChemistry<Scalar, Indices, FluidSystem, GridGeometry, ElectroChemistryModel::Ochs>;
#endif
    static constexpr int dim = GridView::dimension;
    static constexpr int dimWorld = GridView::dimensionworld;
    static constexpr bool isBox = GridGeometry::discMethod == DiscretizationMethod::box;
    using GlobalPosition = typename SubControlVolume::GlobalPosition;
 
    enum { dofCodim = isBox ? dim : 0 };
public:
    FuelCellProblem(std::shared_ptr<const GridGeometry> gridGeometry)
    : ParentType(gridGeometry)
    {
        nTemperature_       = getParam<int>("Problem.NTemperature");
        nPressure_          = getParam<int>("Problem.NPressure");
        pressureLow_        = getParam<Scalar>("Problem.PressureLow");
        pressureHigh_       = getParam<Scalar>("Problem.PressureHigh");
        temperatureLow_     = getParam<Scalar>("Problem.TemperatureLow");
        temperatureHigh_    = getParam<Scalar>("Problem.TemperatureHigh");
        temperature_        = getParam<Scalar>("Problem.InitialTemperature");
 
        name_               = getParam<std::string>("Problem.Name");
 
        pO2Inlet_           = getParam<Scalar>("ElectroChemistry.pO2Inlet");
 
        FluidSystem::init(/*Tmin=*/temperatureLow_,
                          /*Tmax=*/temperatureHigh_,
                          /*nT=*/nTemperature_,
                          /*pmin=*/pressureLow_,
                          /*pmax=*/pressureHigh_,
                          /*np=*/nPressure_);
    }
 
    const std::string& name() const
    { return name_; }
 
    Scalar temperature() const
    { return temperature_; }
 
    NumEqVector source(const Element &element,
                   const FVElementGeometry& fvGeometry,
                   const ElementVolumeVariables& elemVolVars,
                   const SubControlVolume &scv) const
    {
        NumEqVector values(0.0);
        const auto& globalPos = scv.dofPosition();
 
        //reaction sources from electro chemistry
        if(inReactionLayer_(globalPos))
        {
            const auto& volVars = elemVolVars[scv];
            auto currentDensity = ElectroChemistry::calculateCurrentDensity(volVars);
            ElectroChemistry::reactionSource(values, currentDensity);
        }
 
        return values;
    }
 
 
    // \{
 
    BoundaryTypes boundaryTypesAtPos(const GlobalPosition &globalPos) const
    {
        BoundaryTypes bcTypes;
        bcTypes.setAllNeumann();
 
        if (onUpperBoundary_(globalPos)){
            bcTypes.setAllDirichlet();
        }
        return bcTypes;
    }
 
    PrimaryVariables dirichletAtPos(const GlobalPosition &globalPos) const
    {
        auto priVars = initial_(globalPos);
 
        if(onUpperBoundary_(globalPos))
        {
            Scalar pn = 1.0e5;
            priVars[Indices::pressureIdx] = pn;
            priVars[Indices::switchIdx] = 0.3;//Sw for bothPhases
            priVars[Indices::switchIdx+1] = pO2Inlet_/4.315e9; //moleFraction xlO2 for bothPhases
#ifdef NONISOTHERMAL
            priVars[Indices::temperatureIdx] = 293.15;
#endif
        }
 
        return priVars;
    }
 
    PrimaryVariables initialAtPos(const GlobalPosition &globalPos) const
    { return initial_(globalPos); }
 
 
    template<class VTKWriter>
    void addVtkFields(VTKWriter& vtk)
    {
        const auto& gridView = this->gridGeometry().gridView();
        currentDensity_.resize(gridView.size(dofCodim));
        reactionSourceH2O_.resize(gridView.size(dofCodim));
        reactionSourceO2_.resize(gridView.size(dofCodim));
        Kxx_.resize(gridView.size(dofCodim));
        Kyy_.resize(gridView.size(dofCodim));
 
        vtk.addField(currentDensity_, "currentDensity [A/cm^2]");
        vtk.addField(reactionSourceH2O_, "reactionSourceH2O [mol/(sm^2)]");
        vtk.addField(reactionSourceO2_, "reactionSourceO2 [mol/(sm^2)]");
        vtk.addField(Kxx_, "Kxx");
        vtk.addField(Kyy_, "Kyy");
    }
 
    void updateVtkFields(const SolutionVector& curSol)
    {
        for (const auto& element : elements(this->gridGeometry().gridView()))
        {
            auto elemSol = elementSolution(element, curSol, this->gridGeometry());
 
            auto fvGeometry = localView(this->gridGeometry());
            fvGeometry.bindElement(element);
 
            for (auto&& scv : scvs(fvGeometry))
            {
                VolumeVariables volVars;
                volVars.update(elemSol, *this, element, scv);
                const auto& globalPos = scv.dofPosition();
                const auto dofIdxGlobal = scv.dofIndex();
 
                if(inReactionLayer_(globalPos))
                {
                    //reactionSource Output
                    PrimaryVariables source;
                    auto i = ElectroChemistry::calculateCurrentDensity(volVars);
                    ElectroChemistry::reactionSource(source, i);
 
                    reactionSourceH2O_[dofIdxGlobal] = source[Indices::conti0EqIdx + FluidSystem::H2OIdx];
                    reactionSourceO2_[dofIdxGlobal] = source[Indices::conti0EqIdx + FluidSystem::O2Idx];
 
                    //Current Output in A/cm^2
                    currentDensity_[dofIdxGlobal] = i/10000;
                }
                else
                {
                    reactionSourceH2O_[dofIdxGlobal] = 0.0;
                    reactionSourceO2_[dofIdxGlobal] = 0.0;
                    currentDensity_[dofIdxGlobal] = 0.0;
                }
                Kxx_[dofIdxGlobal] = volVars.permeability()[0][0];
                Kyy_[dofIdxGlobal] = volVars.permeability()[1][1];
            }
        }
    }
 
private:
 
    PrimaryVariables initial_(const GlobalPosition &globalPos) const
    {
        PrimaryVariables priVars(0.0);
        priVars.setState(Indices::bothPhases);
 
        Scalar pn = 1.0e5;
        priVars[Indices::pressureIdx] = pn;
        priVars[Indices::switchIdx] = 0.3;//Sw for bothPhases
        priVars[Indices::switchIdx+1] = pO2Inlet_/4.315e9; //moleFraction xlO2 for bothPhases
#ifdef NONISOTHERMAL
        priVars[Indices::temperatureIdx] = 293.15;
#endif
 
        return priVars;
    }
 
    bool onUpperBoundary_(const GlobalPosition &globalPos) const
    { return globalPos[1] > this->gridGeometry().bBoxMax()[1] - eps_; }
 
    bool inReactionLayer_(const GlobalPosition& globalPos) const
    { return globalPos[1] < 0.1*(this->gridGeometry().bBoxMax()[1] - this->gridGeometry().bBoxMin()[1]) + eps_; }
 
    Scalar temperature_;
    static constexpr Scalar eps_ = 1e-6;
    int nTemperature_;
    int nPressure_;
    std::string name_ ;
    Scalar pressureLow_, pressureHigh_;
    Scalar temperatureLow_, temperatureHigh_;
    Scalar pO2Inlet_;
    std::vector<double> currentDensity_;
    std::vector<double> reactionSourceH2O_;
    std::vector<double> reactionSourceO2_;
    std::vector<double> Kxx_;
    std::vector<double> Kyy_;
};
 
} // end namespace Dumux
 
#endif