freeflow/compositional/volumevariables.hh

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#ifndef DUMUX_FREEFLOW_NC_VOLUMEVARIABLES_HH
#define DUMUX_FREEFLOW_NC_VOLUMEVARIABLES_HH
 
#include <array>
#include <dune/common/exceptions.hh>
#include <dumux/freeflow/volumevariables.hh>
 
namespace Dumux {
 
template <class Traits>
class FreeflowNCVolumeVariables : public FreeFlowVolumeVariables< Traits, FreeflowNCVolumeVariables<Traits> >
{
    using ThisType = FreeflowNCVolumeVariables<Traits>;
    using ParentType = FreeFlowVolumeVariables<Traits, ThisType>;
 
    using Scalar = typename Traits::PrimaryVariables::value_type;
 
    static constexpr bool useMoles = Traits::ModelTraits::useMoles();
    static constexpr int numFluidComps = ParentType::numFluidComponents();
    using DiffusionCoefficients = typename Traits::DiffusionType::DiffusionCoefficientsContainer;
 
public:
    using FluidSystem = typename Traits::FluidSystem;
    using FluidState = typename Traits::FluidState;
    using Indices = typename Traits::ModelTraits::Indices;
 
    template<class ElementSolution, class Problem, class Element, class SubControlVolume>
    void update(const ElementSolution &elemSol,
                const Problem &problem,
                const Element &element,
                const SubControlVolume& scv)
    {
        ParentType::update(elemSol, problem, element, scv);
 
        completeFluidState(elemSol, problem, element, scv, fluidState_);
 
        typename FluidSystem::ParameterCache paramCache;
        paramCache.updateAll(fluidState_);
 
        auto getDiffusionCoefficient = [&](int phaseIdx, int compIIdx, int compJIdx)
        {
            return FluidSystem::binaryDiffusionCoefficient(this->fluidState_,
                                                            paramCache,
                                                            0,
                                                            compIIdx,
                                                            compJIdx);
        };
 
        diffCoefficient_.update(getDiffusionCoefficient);
    }
 
    template<class ElementSolution, class Problem, class Element, class SubControlVolume>
    static void completeFluidState(const ElementSolution& elemSol,
                                   const Problem& problem,
                                   const Element& element,
                                   const SubControlVolume& scv,
                                   FluidState& fluidState)
    {
        fluidState.setTemperature(ParentType::temperature(elemSol, problem, element, scv));
        fluidState.setPressure(0, elemSol[0][Indices::pressureIdx]);
 
        // saturation in a single phase is always 1 and thus redundant
        // to set. But since we use the fluid state shared by the
        // immiscible multi-phase models, so we have to set it here...
        fluidState.setSaturation(0, 1.0);
 
        Scalar sumFracMinorComp = 0.0;
 
        for(int compIdx = 1; compIdx < ParentType::numFluidComponents(); ++compIdx)
        {
            // temporary add 1.0 to remove spurious differences in mole fractions
            // which are below the numerical accuracy
            Scalar moleOrMassFraction = elemSol[0][Indices::conti0EqIdx+compIdx] + 1.0;
            moleOrMassFraction = moleOrMassFraction - 1.0;
            if(useMoles)
                fluidState.setMoleFraction(0, compIdx, moleOrMassFraction);
            else
                fluidState.setMassFraction(0, compIdx, moleOrMassFraction);
            sumFracMinorComp += moleOrMassFraction;
        }
        if(useMoles)
            fluidState.setMoleFraction(0, 0, 1.0 - sumFracMinorComp);
        else
            fluidState.setMassFraction(0, 0, 1.0 - sumFracMinorComp);
 
        typename FluidSystem::ParameterCache paramCache;
        paramCache.updateAll(fluidState);
 
        Scalar value = FluidSystem::density(fluidState, paramCache, 0);
        fluidState.setDensity(0, value);
 
        value = FluidSystem::molarDensity(fluidState, paramCache, 0);
        fluidState.setMolarDensity(0, value);
 
        value = FluidSystem::viscosity(fluidState, paramCache, 0);
        fluidState.setViscosity(0, value);
 
        // compute and set the enthalpy
        const Scalar h = ParentType::enthalpy(fluidState, paramCache);
        fluidState.setEnthalpy(0, h);
    }
 
    Scalar pressure(int phaseIdx = 0) const
    { return fluidState_.pressure(0); }
 
    Scalar density(int phaseIdx = 0) const
    { return fluidState_.density(0); }
 
    Scalar temperature() const
    { return fluidState_.temperature(); }
 
    Scalar effectiveViscosity() const
    { return viscosity(); }
 
    Scalar viscosity(int phaseIdx = 0) const
    { return fluidState_.viscosity(0); }
 
    Scalar massFraction(int phaseIdx, int compIdx) const
    {
        return fluidState_.massFraction(0, compIdx);
    }
 
    Scalar massFraction(int compIdx) const
    {
        return fluidState_.massFraction(0, compIdx);
    }
 
    Scalar moleFraction(int phaseIdx, int compIdx) const
    {
        return fluidState_.moleFraction(0, compIdx);
    }
 
    Scalar moleFraction(int compIdx) const
    {
        return fluidState_.moleFraction(0, compIdx);
    }
 
    Scalar molarDensity(int phaseIdx = 0) const
    {
        return fluidState_.molarDensity(0);
    }
 
    Scalar molarMass(int compIdx) const
    {
        return FluidSystem::molarMass(compIdx);
    }
 
    Scalar averageMolarMass(const int phaseIdx = 0) const
    { return fluidState_.averageMolarMass(phaseIdx); }
 
    [[deprecated("Will be removed after release 3.2. Use diffusionCoefficient(phaseIdx, compIIdx, compJIdx)!")]]
    Scalar diffusionCoefficient(int compIIdx, int compJIdx = 0) const
    {
       if (compIIdx == compJIdx)
           DUNE_THROW(Dune::InvalidStateException, "Diffusion coefficient called for compIIdx = compJIdx");
       return diffCoefficient_(0, compIIdx, compJIdx);
    }
 
    Scalar diffusionCoefficient(int phaseIdx, int compIIdx, int compJIdx) const
    { return diffCoefficient_(0, compIIdx, compJIdx); }
 
    [[deprecated("Signature deprecated. Use effectiveDiffusionCoefficient(phaseIdx, compIIdx, compJIdx)!")]]
    Scalar effectiveDiffusivity(int compIIdx, int compJIdx = 0) const
    { return diffusionCoefficient(compIIdx, compJIdx); }
 
    Scalar effectiveDiffusionCoefficient(int phaseIdx, int compIIdx, int compJIdx) const
    { return diffusionCoefficient(0, compIIdx, compJIdx); }
 
    const FluidState& fluidState() const
    { return fluidState_; }
 
protected:
    FluidState fluidState_;
    // Binary diffusion coefficient
    DiffusionCoefficients diffCoefficient_;
};
 
} // end namespace Dumux
 
#endif