test/porousmediumflow/1pnc/implicit/1p2c/isothermal/problem.hh

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#ifndef DUMUX_1P2C_TEST_PROBLEM_HH
#define DUMUX_1P2C_TEST_PROBLEM_HH
 
#if HAVE_UG
#include <dune/grid/uggrid.hh>
#endif
#include <dune/grid/yaspgrid.hh>
 
#include <dumux/common/math.hh>
#include <dumux/discretization/cctpfa.hh>
#include <dumux/discretization/ccmpfa.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/fluidsystems/h2on2.hh>
#include <dumux/material/fluidsystems/1padapter.hh>
 
#include "../spatialparams.hh"
 
namespace Dumux {
 
template <class TypeTag>
class OnePTwoCTestProblem;
 
namespace Properties {
 
// Create new type tags
namespace TTag {
struct OnePTwoCTest { using InheritsFrom = std::tuple<OnePNC>; };
struct OnePTwoCTestBox { using InheritsFrom = std::tuple<OnePTwoCTest, BoxModel>; };
struct OnePTwoCTestCCTpfa { using InheritsFrom = std::tuple<OnePTwoCTest, CCTpfaModel>; };
struct OnePTwoCTestCCMpfa { using InheritsFrom = std::tuple<OnePTwoCTest, CCMpfaModel>; };
} // end namespace TTag
 
// Set the grid type
#if HAVE_UG
template<class TypeTag>
struct Grid<TypeTag, TTag::OnePTwoCTest> { using type = Dune::UGGrid<2>; };
#else
template<class TypeTag>
struct Grid<TypeTag, TTag::OnePTwoCTest> { using type = Dune::YaspGrid<2>; };
#endif
 
// Set the problem property
template<class TypeTag>
struct Problem<TypeTag, TTag::OnePTwoCTest> { using type = OnePTwoCTestProblem<TypeTag>; };
 
// Set fluid configuration
template<class TypeTag>
struct FluidSystem<TypeTag, TTag::OnePTwoCTest>
{
    using Scalar = GetPropType<TypeTag, Properties::Scalar>;
    using H2ON2 = FluidSystems::H2ON2<Scalar, FluidSystems::H2ON2DefaultPolicy</*simplified=*/true>>;
    using type = FluidSystems::OnePAdapter<H2ON2, H2ON2::liquidPhaseIdx>;
};
 
// Set the spatial parameters
template<class TypeTag>
struct SpatialParams<TypeTag, TTag::OnePTwoCTest>
{
    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::OnePTwoCTest> { static constexpr bool value = true; };
}
 
template <class TypeTag>
class OnePTwoCTestProblem : 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 NumEqVector = GetPropType<TypeTag, Properties::NumEqVector>;
    using GridView = GetPropType<TypeTag, Properties::GridView>;
    using Element = typename GridView::template Codim<0>::Entity;
 
    using GridGeometry = GetPropType<TypeTag, Properties::GridGeometry>;
    using FVElementGeometry = typename GetPropType<TypeTag, Properties::GridGeometry>::LocalView;
    using SubControlVolumeFace = typename FVElementGeometry::SubControlVolumeFace;
 
    using GridVariables = GetPropType<TypeTag, Properties::GridVariables>;
    using ElementVolumeVariables = typename GridVariables::GridVolumeVariables::LocalView;
    using ElementFluxVariablesCache = typename GridVariables::GridFluxVariablesCache::LocalView;
 
    // copy some indices for convenience
    using Indices = typename GetPropType<TypeTag, Properties::ModelTraits>::Indices;
 
    enum
    {
        // indices of the primary variables
        pressureIdx = Indices::pressureIdx,
 
        // component indices
        H2OIdx = FluidSystem::compIdx(FluidSystem::MultiPhaseFluidSystem::H2OIdx),
        N2Idx = FluidSystem::compIdx(FluidSystem::MultiPhaseFluidSystem::N2Idx),
 
        // indices of the equations
        contiH2OEqIdx = Indices::conti0EqIdx + H2OIdx,
        contiN2EqIdx = Indices::conti0EqIdx + N2Idx
    };
 
    static constexpr bool useMoles = getPropValue<TypeTag, Properties::UseMoles>();
    static const bool isBox = GetPropType<TypeTag, Properties::GridGeometry>::discMethod == DiscretizationMethod::box;
 
    static const int dimWorld = GridView::dimensionworld;
    using GlobalPosition = typename SubControlVolumeFace::GlobalPosition;
 
public:
    OnePTwoCTestProblem(std::shared_ptr<const GridGeometry> gridGeometry)
    : ParentType(gridGeometry), useNitscheTypeBc_(getParam<bool>("Problem.UseNitscheTypeBc", false))
    {
        //initialize fluid system
        FluidSystem::init();
 
        // stating in the console whether mole or mass fractions are used
        if(useMoles)
            std::cout<<"problem uses mole fractions"<<std::endl;
        else
            std::cout<<"problem uses mass fractions"<<std::endl;
    }
 
    // \{
 
    Scalar temperature() const
    { return 273.15 + 20; } // in [K]
 
    // \}
 
    // \{
 
    BoundaryTypes boundaryTypesAtPos(const GlobalPosition &globalPos) const
    {
        BoundaryTypes values;
 
        if(globalPos[0] < eps_)
            values.setAllDirichlet();
        else
            values.setAllNeumann();
 
        return values;
    }
 
    PrimaryVariables dirichletAtPos(const GlobalPosition &globalPos) const
    {
        PrimaryVariables values = initial_(globalPos);
 
        // condition for the N2 molefraction at left boundary
        if (globalPos[0] < eps_ )
        {
            values[N2Idx] = 2.0e-5;
        }
 
        return values;
    }
 
    template<bool useBox = isBox, std::enable_if_t<useBox, int> = 0>
    NumEqVector neumann(const Element& element,
                        const FVElementGeometry& fvGeometry,
                        const ElementVolumeVariables& elemVolVars,
                        const ElementFluxVariablesCache& elemFluxVarsCache,
                        const SubControlVolumeFace& scvf) const
    {
        // no-flow everywhere except at the right boundary
        NumEqVector values(0.0);
        const auto xMax = this->gridGeometry().bBoxMax()[0];
        const auto& ipGlobal = scvf.ipGlobal();
        if (ipGlobal[0] < xMax - eps_)
            return values;
 
        // set a fixed pressure on the right side of the domain
        static const Scalar dirichletPressure = 1e5;
        const auto& volVars = elemVolVars[scvf.insideScvIdx()];
        const auto& fluxVarsCache = elemFluxVarsCache[scvf];
 
        // if specified in the input file, use a Nitsche type boundary condition for the box model.
        if (useNitscheTypeBc_)
        {
            values[contiH2OEqIdx] = (volVars.pressure() - dirichletPressure)*1e7;
            values[contiN2EqIdx] = values[contiH2OEqIdx] * (useMoles ? volVars.moleFraction(0, N2Idx)
                                                                     : volVars.massFraction(0, N2Idx));
            return values;
        }
 
        // evaluate the pressure gradient
        GlobalPosition gradP(0.0);
        for (const auto& scv : scvs(fvGeometry))
        {
            const auto xIp = scv.dofPosition()[0];
            auto tmp = fluxVarsCache.gradN(scv.localDofIndex());
            tmp *= xIp > xMax - eps_ ? dirichletPressure
                                     : elemVolVars[scv].pressure();
            gradP += tmp;
        }
 
        // compute flux
        auto phaseFlux = vtmv(scvf.unitOuterNormal(), volVars.permeability(), gradP);
        phaseFlux *= useMoles ? volVars.molarDensity() : volVars.density();
        phaseFlux *= volVars.mobility();
 
        // set Neumann bc values
        values[contiH2OEqIdx] = phaseFlux;
        // emulate an outflow condition for the component transport on the right side
        values[contiN2EqIdx] = phaseFlux * ( useMoles ? volVars.moleFraction(0, N2Idx) : volVars.massFraction(0, N2Idx) );
 
        return values;
    }
 
     template<bool useBox = isBox, std::enable_if_t<!useBox, int> = 0>
     NumEqVector neumann(const Element& element,
                         const FVElementGeometry& fvGeometry,
                         const ElementVolumeVariables& elemVolVars,
                         const ElementFluxVariablesCache& elemFluxVarsCache,
                         const SubControlVolumeFace& scvf) const
     {
        // no-flow everywhere except at the right boundary
        NumEqVector values(0.0);
        const auto xMax = this->gridGeometry().bBoxMax()[0];
        const auto& ipGlobal = scvf.ipGlobal();
        if (ipGlobal[0] < xMax - eps_)
            return values;
 
        // set a fixed pressure on the right side of the domain
        static const Scalar dirichletPressure = 1e5;
        const auto& volVars = elemVolVars[scvf.insideScvIdx()];
 
        auto d = ipGlobal - element.geometry().center();
        d /= d.two_norm2();
 
        auto upwindTerm = useMoles ? volVars.molarDensity() : volVars.density();
        upwindTerm *= volVars.mobility();
 
        const auto tij = vtmv(scvf.unitOuterNormal(), volVars.permeability(), d);
        const auto phaseFlux = -1.0*upwindTerm*tij*(dirichletPressure - volVars.pressure());
 
        // set Neumann bc values
        values[contiH2OEqIdx] = phaseFlux;
        // emulate an outflow condition for the component transport on the right side
        values[contiN2EqIdx] = phaseFlux * (useMoles ? volVars.moleFraction(0, N2Idx) : volVars.massFraction(0, N2Idx));
 
        return values;
    }
 
    // \}
 
    // \{
 
    NumEqVector sourceAtPos(const GlobalPosition &globalPos) const
    { return NumEqVector(0.0); }
 
    PrimaryVariables initialAtPos(const GlobalPosition &globalPos) const
    { return initial_(globalPos); }
 
    // \}
 
private:
    // the internal method for the initial condition
    PrimaryVariables initial_(const GlobalPosition &globalPos) const
    {
        PrimaryVariables priVars;
        priVars[pressureIdx] = 2e5 - 1e5*globalPos[0]; // initial condition for the pressure
        priVars[N2Idx] = 0.0;  // initial condition for the N2 molefraction
        return priVars;
    }
        static constexpr Scalar eps_ = 1e-6;
        bool useNitscheTypeBc_;
    };
 
} // end namespace Dumux
 
#endif