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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 FacetCoupling | ||
| 10 | * \copydoc Dumux::BoxFacetCouplingFicksLaw | ||
| 11 | */ | ||
| 12 | #ifndef DUMUX_DISCRETIZATION_BOX_FACET_COUPLING_FICKS_LAW_HH | ||
| 13 | #define DUMUX_DISCRETIZATION_BOX_FACET_COUPLING_FICKS_LAW_HH | ||
| 14 | |||
| 15 | #include <vector> | ||
| 16 | #include <cmath> | ||
| 17 | |||
| 18 | #include <dune/common/exceptions.hh> | ||
| 19 | #include <dune/common/fvector.hh> | ||
| 20 | #include <dune/common/float_cmp.hh> | ||
| 21 | |||
| 22 | #include <dumux/common/parameters.hh> | ||
| 23 | #include <dumux/common/properties.hh> | ||
| 24 | |||
| 25 | #include <dumux/flux/referencesystemformulation.hh> | ||
| 26 | #include <dumux/flux/box/fickslaw.hh> | ||
| 27 | #include <dumux/discretization/method.hh> | ||
| 28 | #include <dumux/discretization/extrusion.hh> | ||
| 29 | |||
| 30 | namespace Dumux { | ||
| 31 | |||
| 32 | /*! | ||
| 33 | * \ingroup FacetCoupling | ||
| 34 | * \brief Ficks's law for the box scheme in the context of coupled models | ||
| 35 | * where coupling occurs across the facets of the bulk domain elements | ||
| 36 | * with a lower-dimensional domain living on these facets. | ||
| 37 | */ | ||
| 38 | template<class TypeTag, ReferenceSystemFormulation referenceSystem = ReferenceSystemFormulation::massAveraged> | ||
| 39 | class BoxFacetCouplingFicksLaw | ||
| 40 | : public FicksLawImplementation<TypeTag, DiscretizationMethods::Box, referenceSystem> | ||
| 41 | { | ||
| 42 | using ParentType = FicksLawImplementation<TypeTag, DiscretizationMethods::Box, referenceSystem>; | ||
| 43 | |||
| 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 GridView = typename GridGeometry::GridView; | ||
| 49 | using Element = typename GridView::template Codim<0>::Entity; | ||
| 50 | |||
| 51 | static constexpr int dim = GridView::dimension; | ||
| 52 | static constexpr int dimWorld = GridView::dimensionworld; | ||
| 53 | |||
| 54 | using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>; | ||
| 55 | using ModelTraits = GetPropType<TypeTag, Properties::ModelTraits>; | ||
| 56 | using BalanceEqOpts = GetPropType<TypeTag, Properties::BalanceEqOpts>; | ||
| 57 | static constexpr int numComponents = ModelTraits::numFluidComponents(); | ||
| 58 | |||
| 59 | using Scalar = GetPropType<TypeTag, Properties::Scalar>; | ||
| 60 | using ComponentFluxVector = Dune::FieldVector<Scalar, numComponents>; | ||
| 61 | |||
| 62 | public: | ||
| 63 | |||
| 64 | template<class Problem, class ElementVolumeVariables, class ElementFluxVarsCache> | ||
| 65 | 7849832 | static ComponentFluxVector flux(const Problem& problem, | |
| 66 | const Element& element, | ||
| 67 | const FVElementGeometry& fvGeometry, | ||
| 68 | const ElementVolumeVariables& elemVolVars, | ||
| 69 | const SubControlVolumeFace& scvf, | ||
| 70 | const int phaseIdx, | ||
| 71 | const ElementFluxVarsCache& elemFluxVarCache) | ||
| 72 | { | ||
| 73 | // if this scvf is not on an interior boundary, use the standard law | ||
| 74 |
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7849832 | if (!scvf.interiorBoundary()) |
| 75 | 7201376 | return ParentType::flux(problem, element, fvGeometry, elemVolVars, scvf, phaseIdx, elemFluxVarCache); | |
| 76 | |||
| 77 |
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648456 | static const Scalar xi = getParamFromGroup<Scalar>(problem.paramGroup(), "FacetCoupling.Xi", 1.0); |
| 78 |
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648456 | if ( !Dune::FloatCmp::eq(xi, 1.0, 1e-6) ) |
| 79 | ✗ | DUNE_THROW(Dune::NotImplemented, "Xi != 1.0 cannot be used with the Box-Facet-Coupling scheme"); | |
| 80 | |||
| 81 | // get some references for convenience | ||
| 82 | 648456 | const auto& fluxVarCache = elemFluxVarCache[scvf]; | |
| 83 | 648456 | const auto& shapeValues = fluxVarCache.shapeValues(); | |
| 84 | 1296912 | const auto& insideScv = fvGeometry.scv(scvf.insideScvIdx()); | |
| 85 | 648456 | const auto& insideVolVars = elemVolVars[insideScv]; | |
| 86 | |||
| 87 | // interpolate density to scvf integration point | ||
| 88 | 648456 | Scalar rho = 0.0; | |
| 89 |
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6484560 | for (const auto& scv : scvs(fvGeometry)) |
| 90 | 10375296 | rho += massOrMolarDensity(elemVolVars[scv], referenceSystem, phaseIdx)*shapeValues[scv.indexInElement()][0]; | |
| 91 | |||
| 92 | // on interior Neumann boundaries, evaluate the flux using the facet effective diffusion coefficient | ||
| 93 | 648456 | ComponentFluxVector componentFlux(0.0); | |
| 94 | 648456 | const auto bcTypes = problem.interiorBoundaryTypes(element, scvf); | |
| 95 |
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1296912 | if (bcTypes.hasOnlyNeumann()) |
| 96 | { | ||
| 97 | // compute tpfa flux from integration point to facet centerline | ||
| 98 | 1296912 | const auto& facetVolVars = problem.couplingManager().getLowDimVolVars(element, scvf); | |
| 99 | |||
| 100 | using std::sqrt; | ||
| 101 | // If this is a surface grid, use the square root of the facet extrusion factor | ||
| 102 | // as an approximate average distance from scvf ip to facet center | ||
| 103 | using std::sqrt; | ||
| 104 | 648456 | const auto a = facetVolVars.extrusionFactor(); | |
| 105 | 648456 | auto preGradX = scvf.unitOuterNormal(); | |
| 106 | 648456 | preGradX *= dim == dimWorld ? 0.5*a : 0.5*sqrt(a); | |
| 107 | preGradX /= preGradX.two_norm2(); | ||
| 108 | |||
| 109 |
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1945368 | for (int compIdx = 0; compIdx < numComponents; compIdx++) |
| 110 | { | ||
| 111 | if constexpr (!FluidSystem::isTracerFluidSystem()) | ||
| 112 |
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1296912 | if (compIdx == FluidSystem::getMainComponent(phaseIdx)) |
| 113 | 648456 | continue; | |
| 114 | |||
| 115 | // interpolate mole fraction to scvf integration point | ||
| 116 | 648456 | Scalar x = 0.0; | |
| 117 |
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6484560 | for (const auto& scv : scvs(fvGeometry)) |
| 118 | 5187648 | x += massOrMoleFraction(elemVolVars[scv], referenceSystem, phaseIdx, compIdx)*shapeValues[scv.indexInElement()][0]; | |
| 119 | |||
| 120 | // compute the diffusive flux by means of a finite difference | ||
| 121 | 648456 | auto gradX = preGradX; | |
| 122 | 648456 | gradX *= (massOrMoleFraction(facetVolVars, referenceSystem, phaseIdx, compIdx) - x); | |
| 123 | |||
| 124 | 648456 | componentFlux[compIdx] = -1.0*rho*Extrusion::area(fvGeometry, scvf) | |
| 125 | 648456 | *insideVolVars.extrusionFactor() | |
| 126 | 2593824 | *vtmv(scvf.unitOuterNormal(), | |
| 127 | facetVolVars.effectiveDiffusionCoefficient(phaseIdx, phaseIdx, compIdx), | ||
| 128 | gradX); | ||
| 129 | |||
| 130 | if constexpr (!FluidSystem::isTracerFluidSystem()) | ||
| 131 | 648456 | if (BalanceEqOpts::mainComponentIsBalanced(phaseIdx)) | |
| 132 | 1945368 | componentFlux[FluidSystem::getMainComponent(phaseIdx)] -= componentFlux[compIdx]; | |
| 133 | } | ||
| 134 | |||
| 135 | 648456 | return componentFlux; | |
| 136 | } | ||
| 137 | |||
| 138 | // on interior Dirichlet boundaries use the facet mass/mole fraction and evaluate flux | ||
| 139 | ✗ | else if (bcTypes.hasOnlyDirichlet()) | |
| 140 | { | ||
| 141 | ✗ | for (int compIdx = 0; compIdx < numComponents; compIdx++) | |
| 142 | { | ||
| 143 | if constexpr (!FluidSystem::isTracerFluidSystem()) | ||
| 144 | ✗ | if (compIdx == FluidSystem::getMainComponent(phaseIdx)) | |
| 145 | ✗ | continue; | |
| 146 | |||
| 147 | // create vector with nodal mole/mass fractions | ||
| 148 | ✗ | std::vector<Scalar> xFractions(element.subEntities(dim)); | |
| 149 | ✗ | for (const auto& scv : scvs(fvGeometry)) | |
| 150 | ✗ | xFractions[scv.localDofIndex()] = massOrMoleFraction(elemVolVars[scv], referenceSystem, phaseIdx, compIdx); | |
| 151 | |||
| 152 | // substitute with facet mole/mass fractions for those scvs touching this facet | ||
| 153 | ✗ | for (const auto& scvfJ : scvfs(fvGeometry)) | |
| 154 | ✗ | if (scvfJ.interiorBoundary() && scvfJ.facetIndexInElement() == scvf.facetIndexInElement()) | |
| 155 | ✗ | xFractions[ fvGeometry.scv(scvfJ.insideScvIdx()).localDofIndex() ] | |
| 156 | ✗ | = massOrMoleFraction(problem.couplingManager().getLowDimVolVars(element, scvfJ), referenceSystem, phaseIdx, compIdx); | |
| 157 | |||
| 158 | // evaluate gradX at integration point | ||
| 159 | ✗ | Dune::FieldVector<Scalar, dimWorld> gradX(0.0); | |
| 160 | ✗ | for (const auto& scv : scvs(fvGeometry)) | |
| 161 | ✗ | gradX.axpy(xFractions[scv.localDofIndex()], fluxVarCache.gradN(scv.indexInElement())); | |
| 162 | |||
| 163 | // apply matrix diffusion coefficient and return the flux | ||
| 164 | ✗ | componentFlux[compIdx] = -1.0*rho*Extrusion::area(fvGeometry, scvf) | |
| 165 | ✗ | *insideVolVars.extrusionFactor() | |
| 166 | ✗ | *vtmv(scvf.unitOuterNormal(), | |
| 167 | insideVolVars.effectiveDiffusionCoefficient(phaseIdx, phaseIdx, compIdx), | ||
| 168 | gradX); | ||
| 169 | |||
| 170 | if constexpr (!FluidSystem::isTracerFluidSystem()) | ||
| 171 | ✗ | if (BalanceEqOpts::mainComponentIsBalanced(phaseIdx)) | |
| 172 | ✗ | componentFlux[FluidSystem::getMainComponent(phaseIdx)] -= componentFlux[compIdx]; | |
| 173 | } | ||
| 174 | |||
| 175 | ✗ | return componentFlux; | |
| 176 | } | ||
| 177 | |||
| 178 | // mixed boundary types are not supported | ||
| 179 | else | ||
| 180 | ✗ | DUNE_THROW(Dune::NotImplemented, "Mixed boundary types are not supported"); | |
| 181 | } | ||
| 182 | |||
| 183 | // compute transmissibilities ti for analytical jacobians | ||
| 184 | template<class Problem, class ElementVolumeVariables, class FluxVarCache> | ||
| 185 | static std::vector<Scalar> calculateTransmissibilities(const Problem& problem, | ||
| 186 | const Element& element, | ||
| 187 | const FVElementGeometry& fvGeometry, | ||
| 188 | const ElementVolumeVariables& elemVolVars, | ||
| 189 | const SubControlVolumeFace& scvf, | ||
| 190 | const FluxVarCache& fluxVarCache, | ||
| 191 | unsigned int phaseIdx) | ||
| 192 | { | ||
| 193 | DUNE_THROW(Dune::NotImplemented, "transmissibilty computation for BoxFacetCouplingFicksLaw"); | ||
| 194 | } | ||
| 195 | }; | ||
| 196 | |||
| 197 | } // end namespace Dumux | ||
| 198 | |||
| 199 | #endif | ||
| 200 |