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| 1 | // -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- | ||
| 2 | // vi: set et ts=4 sw=4 sts=4: | ||
| 3 | // | ||
| 4 | // SPDX-FileCopyrightInfo: Copyright © DuMux Project contributors, see AUTHORS.md in root folder | ||
| 5 | // SPDX-License-Identifier: GPL-3.0-or-later | ||
| 6 | // | ||
| 7 | /*! | ||
| 8 | * \file | ||
| 9 | * \ingroup StaggeredFlux | ||
| 10 | * \brief This file contains the data which is required to calculate | ||
| 11 | * diffusive molar fluxes due to molecular diffusion with Fick's law. | ||
| 12 | */ | ||
| 13 | #ifndef DUMUX_DISCRETIZATION_STAGGERED_FICKS_LAW_HH | ||
| 14 | #define DUMUX_DISCRETIZATION_STAGGERED_FICKS_LAW_HH | ||
| 15 | |||
| 16 | #include <numeric> | ||
| 17 | #include <dune/common/fvector.hh> | ||
| 18 | |||
| 19 | #include <dumux/common/properties.hh> | ||
| 20 | #include <dumux/common/parameters.hh> | ||
| 21 | #include <dumux/common/math.hh> | ||
| 22 | |||
| 23 | #include <dumux/discretization/method.hh> | ||
| 24 | #include <dumux/discretization/extrusion.hh> | ||
| 25 | #include <dumux/flux/fluxvariablescaching.hh> | ||
| 26 | #include <dumux/flux/fickiandiffusioncoefficients.hh> | ||
| 27 | #include <dumux/flux/referencesystemformulation.hh> | ||
| 28 | |||
| 29 | |||
| 30 | namespace Dumux { | ||
| 31 | |||
| 32 | // forward declaration | ||
| 33 | template<class TypeTag, class DiscretizationMethod, ReferenceSystemFormulation referenceSystem> | ||
| 34 | class FicksLawImplementation; | ||
| 35 | |||
| 36 | /*! | ||
| 37 | * \ingroup StaggeredFlux | ||
| 38 | * \brief Specialization of Fick's Law for the staggered free flow method. | ||
| 39 | */ | ||
| 40 | template <class TypeTag, ReferenceSystemFormulation referenceSystem> | ||
| 41 | class FicksLawImplementation<TypeTag, DiscretizationMethods::Staggered, referenceSystem> | ||
| 42 | { | ||
| 43 | using Scalar = GetPropType<TypeTag, Properties::Scalar>; | ||
| 44 | using GridGeometry = GetPropType<TypeTag, Properties::GridGeometry>; | ||
| 45 | using FVElementGeometry = typename GridGeometry::LocalView; | ||
| 46 | using SubControlVolumeFace = typename GridGeometry::SubControlVolumeFace; | ||
| 47 | using Extrusion = Extrusion_t<GridGeometry>; | ||
| 48 | using VolumeVariables = GetPropType<TypeTag, Properties::VolumeVariables>; | ||
| 49 | using GridView = typename GridGeometry::GridView; | ||
| 50 | using Element = typename GridView::template Codim<0>::Entity; | ||
| 51 | using ModelTraits = GetPropType<TypeTag, Properties::ModelTraits>; | ||
| 52 | using Indices = typename ModelTraits::Indices; | ||
| 53 | using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>; | ||
| 54 | |||
| 55 | static constexpr int numComponents = ModelTraits::numFluidComponents(); | ||
| 56 | static constexpr int numPhases = ModelTraits::numFluidPhases(); | ||
| 57 | |||
| 58 | using NumEqVector = Dune::FieldVector<Scalar, numComponents>; | ||
| 59 | |||
| 60 | static_assert(ModelTraits::numFluidPhases() == 1, "Only one phase supported!"); | ||
| 61 | |||
| 62 | public: | ||
| 63 | using DiscretizationMethod = DiscretizationMethods::Staggered; | ||
| 64 | // state the discretization method this implementation belongs to | ||
| 65 | static constexpr DiscretizationMethod discMethod{}; | ||
| 66 | |||
| 67 | //return the reference system | ||
| 68 | static constexpr ReferenceSystemFormulation referenceSystemFormulation() | ||
| 69 | { return referenceSystem; } | ||
| 70 | |||
| 71 | //! state the type for the corresponding cache | ||
| 72 | //! We don't cache anything for this law | ||
| 73 | using Cache = FluxVariablesCaching::EmptyDiffusionCache; | ||
| 74 | |||
| 75 | using DiffusionCoefficientsContainer = FickianDiffusionCoefficients<Scalar, numPhases, numComponents>; | ||
| 76 | |||
| 77 | /*! | ||
| 78 | * \brief Returns the diffusive fluxes of all components within | ||
| 79 | * a fluid phase across the given sub-control volume face. | ||
| 80 | * The computed fluxes are given in mole/s or kg/s, depending | ||
| 81 | * on the template parameter ReferenceSystemFormulation. | ||
| 82 | */ | ||
| 83 | template<class Problem, class ElementVolumeVariables> | ||
| 84 | 80067674 | static NumEqVector flux(const Problem& problem, | |
| 85 | const Element& element, | ||
| 86 | const FVElementGeometry& fvGeometry, | ||
| 87 | const ElementVolumeVariables& elemVolVars, | ||
| 88 | const SubControlVolumeFace &scvf) | ||
| 89 | { | ||
| 90 | 80067674 | NumEqVector flux(0.0); | |
| 91 | |||
| 92 | // There is no diffusion over outflow boundaries (grad x == 0). | ||
| 93 | // We assume that if an outflow BC is set for the first transported component, this | ||
| 94 | // also holds for all other components. | ||
| 95 |
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80067674 | if (scvf.boundary() && problem.boundaryTypes(element, scvf).isOutflow(Indices::conti0EqIdx + 1)) |
| 96 | 1702024 | return flux; | |
| 97 | |||
| 98 | 78365650 | const int phaseIdx = 0; | |
| 99 | |||
| 100 | 156731300 | const auto& insideScv = fvGeometry.scv(scvf.insideScvIdx()); | |
| 101 | 156731300 | const auto& insideVolVars = elemVolVars[scvf.insideScvIdx()]; | |
| 102 | 156731300 | const auto& outsideVolVars = elemVolVars[scvf.outsideScvIdx()]; | |
| 103 | |||
| 104 | 391828250 | const Scalar insideDistance = (insideScv.dofPosition() - scvf.ipGlobal()).two_norm(); | |
| 105 | 78365650 | const Scalar insideDensity = massOrMolarDensity(insideVolVars, referenceSystem, phaseIdx); | |
| 106 | |||
| 107 |
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235096950 | for (int compIdx = 0; compIdx < numComponents; ++compIdx) |
| 108 | { | ||
| 109 |
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156731300 | if (compIdx == FluidSystem::getMainComponent(phaseIdx)) |
| 110 | continue; | ||
| 111 | |||
| 112 | 78365650 | const Scalar massOrMoleFractionInside = massOrMoleFraction(insideVolVars, referenceSystem, phaseIdx, compIdx); | |
| 113 | 78365650 | const Scalar massOrMoleFractionOutside = massOrMoleFraction(outsideVolVars, referenceSystem, phaseIdx, compIdx); | |
| 114 | 156731300 | const Scalar insideDiffCoeff = getEffectiveDiffusionCoefficient_(insideVolVars, phaseIdx, compIdx) * insideVolVars.extrusionFactor(); | |
| 115 | |||
| 116 | 78365650 | if (scvf.boundary()) | |
| 117 | { | ||
| 118 | // When the face lies on a boundary, use the average density | ||
| 119 | 2793350 | const Scalar outsideDensity = massOrMolarDensity(outsideVolVars, referenceSystem, phaseIdx); | |
| 120 | 2793350 | const Scalar avgDensity = 0.5*(insideDensity + outsideDensity); | |
| 121 | 2793350 | flux[compIdx] = avgDensity * insideDiffCoeff | |
| 122 | 2793350 | * (massOrMoleFractionInside - massOrMoleFractionOutside) / insideDistance; | |
| 123 | } | ||
| 124 | else | ||
| 125 | { | ||
| 126 | 151144600 | const auto& outsideScv = fvGeometry.scv(scvf.outsideScvIdx()); | |
| 127 | 226716900 | const Scalar outsideDiffCoeff = getEffectiveDiffusionCoefficient_(outsideVolVars, phaseIdx, compIdx) | |
| 128 | 75572300 | * outsideVolVars.extrusionFactor(); | |
| 129 | 226716900 | const Scalar outsideDistance = (outsideScv.dofPosition() - scvf.ipGlobal()).two_norm(); | |
| 130 |
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75572300 | const Scalar outsideDensity = massOrMolarDensity(outsideVolVars, referenceSystem, phaseIdx); |
| 131 | |||
| 132 | 75572300 | const Scalar avgDensity = 0.5*(insideDensity + outsideDensity); | |
| 133 |
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75572300 | const Scalar avgDiffCoeff = harmonicMean(insideDiffCoeff, outsideDiffCoeff, insideDistance, outsideDistance); |
| 134 | |||
| 135 | 75572300 | flux[compIdx] = avgDensity * avgDiffCoeff | |
| 136 | 75572300 | * (massOrMoleFractionInside - massOrMoleFractionOutside) / (insideDistance + outsideDistance); | |
| 137 | } | ||
| 138 | } | ||
| 139 | |||
| 140 | // Fick's law (for binary systems) states that the net flux of mass within the bulk phase has to be zero: | ||
| 141 | 78365650 | const Scalar cumulativeFlux = std::accumulate(flux.begin(), flux.end(), 0.0); | |
| 142 | 78365650 | flux[FluidSystem::getMainComponent(0)] = -cumulativeFlux; | |
| 143 | |||
| 144 | 156731300 | flux *= Extrusion::area(fvGeometry, scvf); | |
| 145 | |||
| 146 | 78365650 | return flux; | |
| 147 | } | ||
| 148 | |||
| 149 | private: | ||
| 150 | static Scalar getEffectiveDiffusionCoefficient_(const VolumeVariables& volVars, const int phaseIdx, const int compIdx) | ||
| 151 | { | ||
| 152 |
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78365650 | return volVars.effectiveDiffusionCoefficient(phaseIdx, FluidSystem::getMainComponent(phaseIdx), compIdx); |
| 153 | } | ||
| 154 | }; | ||
| 155 | } // end namespace Dumux | ||
| 156 | |||
| 157 | #endif | ||
| 158 |