test/porousmediumflow/2p2c/implicit/chemicalnonequilibrium/problem.hh

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#ifndef DUMUX_TWOPTWOC_NONEQUILIBRIUM_PROBLEM_HH
#define DUMUX_TWOPTWOC_NONEQUILIBRIUM_PROBLEM_HH
 
#include <dune/grid/yaspgrid.hh>
 
#include <dune/common/parametertreeparser.hh>
 
#include <dumux/discretization/box.hh>
#include <dumux/discretization/cctpfa.hh>
 
#include <dumux/porousmediumflow/2p2c/model.hh>
#include <dumux/porousmediumflow/problem.hh>
 
#include <dumux/material/fluidsystems/h2oair.hh>
#include <dumux/material/fluidstates/compositional.hh>
 
#include "spatialparams.hh"
 
namespace Dumux {
 
template <class TypeTag>
class TwoPTwoCChemicalNonequilibriumProblem;
 
namespace Properties {
// Create new type tags
namespace TTag {
struct TwoPTwoCChemicalNonequilibrium { using InheritsFrom = std::tuple<TwoPTwoCNINonEquil>; };
struct TwoPTwoCChemicalNonequilibriumBox { using InheritsFrom = std::tuple<TwoPTwoCChemicalNonequilibrium, BoxModel>; };
struct TwoPTwoCChemicalNonequilibriumCC { using InheritsFrom = std::tuple<TwoPTwoCChemicalNonequilibrium, CCTpfaModel>; };
} // end namespace TTag
 
// Set the grid type
template<class TypeTag>
struct Grid<TypeTag, TTag::TwoPTwoCChemicalNonequilibrium> { using type = Dune::YaspGrid<2>; };
 
// Set the problem property
template<class TypeTag>
struct Problem<TypeTag, TTag::TwoPTwoCChemicalNonequilibrium>
{ using type = TwoPTwoCChemicalNonequilibriumProblem<TypeTag>; };
 
// Set fluid configuration
template<class TypeTag>
struct FluidSystem<TypeTag, TTag::TwoPTwoCChemicalNonequilibrium>
{
private:
    using Scalar = GetPropType<TypeTag, Properties::Scalar>;
public:
 
    using type = FluidSystems::H2OAir<Scalar,
                                      Components::TabulatedComponent<Components::H2O<Scalar>>,
                                      FluidSystems::H2OAirDefaultPolicy</*fastButSimplifiedRelations=*/true>,
                                      true /*useKelvinEquation*/>;
};
 
// Set the spatial parameters
template<class TypeTag>
struct SpatialParams<TypeTag, TTag::TwoPTwoCChemicalNonequilibrium>
{
    using GridGeometry = GetPropType<TypeTag, Properties::GridGeometry>;
    using Scalar = GetPropType<TypeTag, Properties::Scalar>;
    using type = TwoPTwoCChemicalNonequilibriumSpatialParams<GridGeometry, Scalar>;
};
 
// decide which type to use for floating values (double / quad)
template<class TypeTag>
struct Scalar<TypeTag, TTag::TwoPTwoCChemicalNonequilibrium> { using type = double; };
template<class TypeTag>
struct Formulation<TypeTag, TTag::TwoPTwoCChemicalNonequilibrium>
{
public:
    static const TwoPFormulation value = TwoPFormulation::p0s1;
};
 
template<class TypeTag>
struct UseMoles<TypeTag, TTag::TwoPTwoCChemicalNonequilibrium>
{ static constexpr bool value = true; };
 
template<class TypeTag>
struct EnableThermalNonEquilibrium<TypeTag, TTag::TwoPTwoCChemicalNonequilibrium>
{ static constexpr bool value = false; };
 
template<class TypeTag>
struct HeatConductionType<TypeTag, TTag::TwoPTwoCChemicalNonequilibrium>
{ using type = FouriersLaw<TypeTag>; };
 
template<class TypeTag>
struct EnergyLocalResidual<TypeTag, TTag::TwoPTwoCChemicalNonequilibrium>
{ using type = Dumux::EnergyLocalResidual<TypeTag>; };
 
} // end namespace Properties
 
template <class TypeTag>
class TwoPTwoCChemicalNonequilibriumProblem : public PorousMediumFlowProblem<TypeTag>
{
    using ParentType = PorousMediumFlowProblem<TypeTag>;
    using Scalar = GetPropType<TypeTag, Properties::Scalar>;
    using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>;
    using BoundaryTypes = GetPropType<TypeTag, Properties::BoundaryTypes>;
    using PrimaryVariables = GetPropType<TypeTag, Properties::PrimaryVariables>;
    using NeumannFluxes = GetPropType<TypeTag, Properties::NumEqVector>;
    using GridVariables = GetPropType<TypeTag, Properties::GridVariables>;
    using ElementVolumeVariables = typename GridVariables::GridVolumeVariables::LocalView;
    using ElementFluxVariablesCache = typename GridVariables::GridFluxVariablesCache::LocalView;
    using FVElementGeometry = typename GetPropType<TypeTag, Properties::GridGeometry>::LocalView;
    using SubControlVolumeFace = typename FVElementGeometry::SubControlVolumeFace;
    using GridView = GetPropType<TypeTag, Properties::GridView>;
    using Element = typename GridView::template Codim<0>::Entity;
    using GlobalPosition = typename Element::Geometry::GlobalCoordinate;
    using GridGeometry = GetPropType<TypeTag, Properties::GridGeometry>;
    using SolutionVector = GetPropType<TypeTag, Properties::SolutionVector>;
    using VolumeVariables = GetPropType<TypeTag, Properties::VolumeVariables>;
 
    using ModelTraits = GetPropType<TypeTag, Properties::ModelTraits>;
    using Indices = typename ModelTraits::Indices;
 
    static constexpr int dim = GridView::dimension;
    static constexpr int dimWorld = GridView::dimensionworld;
    static constexpr bool isBox = GridGeometry::discMethod == DiscretizationMethod::box;
    enum { dofCodim = isBox ? dim : 0 };
public:
    TwoPTwoCChemicalNonequilibriumProblem(std::shared_ptr<const GridGeometry> gridGeometry)
    : ParentType(gridGeometry)
    {
        temperature_ = 273.15 + 25; // -> 25°C
 
        // initialize the tables of the fluid system
        Scalar Tmin = temperature_ - 1.0;
        Scalar Tmax = temperature_ + 1.0;
        int nT = 3;
 
        Scalar pmin = 1.0e5 * 0.75;
        Scalar pmax = 2.0e5 * 1.25;
        int np = 1000;
 
        FluidSystem::init(Tmin, Tmax, nT, pmin, pmax, np);
        name_ = getParam<std::string>("Problem.Name");
    }
 
    void setGridVariables(std::shared_ptr<GridVariables> gridVariables)
    { gridVariables_ = gridVariables; }
 
    const GridVariables& gridVariables() const
    { return *gridVariables_; }
 
    // \{
 
    const std::string name() const
    { return name_; }
 
    Scalar temperature() const
    { return temperature_; }
 
    BoundaryTypes boundaryTypesAtPos(const GlobalPosition &globalPos) const
    {
        BoundaryTypes bcTypes;
         if (globalPos[0] <  this->gridGeometry().bBoxMin()[0] + eps_)
            bcTypes.setAllDirichlet();
         else
            bcTypes.setAllNeumann();
        return bcTypes;
    }
 
    PrimaryVariables dirichletAtPos(const GlobalPosition &globalPos) const
    {
        PrimaryVariables values;
        values = initial_(globalPos);
        return values;
    }
 
    NeumannFluxes neumann(const Element& element,
                          const FVElementGeometry& fvGeometry,
                          const ElementVolumeVariables& elemVolVars,
                          const ElementFluxVariablesCache& elemFluxVarsCache,
                          const SubControlVolumeFace& scvf) const
    {
        NeumannFluxes values(0.0);
        const auto& globalPos = scvf.ipGlobal();
        const auto& volVars = elemVolVars[scvf.insideScvIdx()];
        Scalar boundaryLayerThickness = 0.0016;
        //right side
        if (globalPos[0] > this->gridGeometry().bBoxMax()[0] - eps_)
        {
            Scalar moleFracH2OInside = volVars.moleFraction(FluidSystem::gasPhaseIdx, FluidSystem::H2OIdx);
            Scalar moleFracRefH2O = 0.0;
            Scalar evaporationRate = volVars.diffusionCoefficient(FluidSystem::gasPhaseIdx, FluidSystem::H2OIdx)
                                     * (moleFracH2OInside - moleFracRefH2O)
                                     / boundaryLayerThickness
                                     * volVars.molarDensity(FluidSystem::gasPhaseIdx);
            values[Indices::conti0EqIdx+2] = evaporationRate;
 
            values[Indices::energyEqIdx] = FluidSystem::enthalpy(volVars.fluidState(), FluidSystem::gasPhaseIdx) * evaporationRate;
            values[Indices::energyEqIdx] += FluidSystem::thermalConductivity(volVars.fluidState(), FluidSystem::gasPhaseIdx)
                                            * (volVars.temperature() - temperature_)/boundaryLayerThickness;
        }
        return values;
    }
 
    // \}
 
    PrimaryVariables initialAtPos(const GlobalPosition &globalPos) const
    {
        return initial_(globalPos);
    }
 
    template<class VTKWriter>
    void addVtkFields(VTKWriter& vtk)
    {
        vtk.addField(xEquilxwn_, "xEquil^Air_liq");
        vtk.addField(xEquilxnw_, "xEquil^H2O_gas");
    }
 
    void updateVtkFields(const SolutionVector& curSol)
    {
        const auto& gridView = this->gridGeometry().gridView();
        xEquilxwn_.resize(gridView.size(dofCodim));
        xEquilxnw_.resize(gridView.size(dofCodim));
        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 dofIdxGlobal = scv.dofIndex();
                xEquilxwn_[dofIdxGlobal] = volVars.xEquil(0,1);
                xEquilxnw_[dofIdxGlobal] = volVars.xEquil(1,0);
            }
        }
    }
 
    // \}
 
private:
    // the internal method for the initial condition
    PrimaryVariables initial_(const GlobalPosition &globalPos) const
    {
        PrimaryVariables values(0.0);
        values[Indices::pressureIdx] = 1e5; // water pressure
        values[Indices::switchIdx] = 0.8; // gas saturation
        values[2] = 5e-4; // xwn higher than equil, equil is 3.4e-5
        values[3] = 1e-2; // xnw lower than 1.3e-2
        values[Indices::temperatureIdx] = temperature_;
        values.setState(Indices::bothPhases);
 
        return values;
    }
 
    Scalar temperature_;
    static constexpr Scalar eps_ = 1e-6;
    std::string name_;
 
    std::shared_ptr<GridVariables> gridVariables_;
    std::vector<double> xEquilxnw_;
    std::vector<double> xEquilxwn_;
};
} // end namespace Dumux
 
#endif