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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-FileCopyrightText: 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 BoxFlux | ||
| 10 | * \brief This file contains the data which is required to calculate | ||
| 11 | * dispersive fluxes. | ||
| 12 | */ | ||
| 13 | #ifndef DUMUX_DISCRETIZATION_BOX_DISPERSION_FLUX_HH | ||
| 14 | #define DUMUX_DISCRETIZATION_BOX_DISPERSION_FLUX_HH | ||
| 15 | |||
| 16 | #include <dune/common/fvector.hh> | ||
| 17 | #include <dune/common/fmatrix.hh> | ||
| 18 | #include <dune/common/float_cmp.hh> | ||
| 19 | |||
| 20 | #include <dumux/common/math.hh> | ||
| 21 | #include <dumux/common/properties.hh> | ||
| 22 | #include <dumux/discretization/method.hh> | ||
| 23 | #include <dumux/discretization/extrusion.hh> | ||
| 24 | #include <dumux/flux/traits.hh> | ||
| 25 | #include <dumux/flux/referencesystemformulation.hh> | ||
| 26 | #include <dumux/flux/facetensoraverage.hh> | ||
| 27 | |||
| 28 | namespace Dumux { | ||
| 29 | |||
| 30 | // forward declaration | ||
| 31 | template<class TypeTag, class DiscretizationMethod, ReferenceSystemFormulation referenceSystem> | ||
| 32 | class DispersionFluxImplementation; | ||
| 33 | |||
| 34 | /*! | ||
| 35 | * \ingroup BoxFlux | ||
| 36 | * \brief Specialization of a dispersion flux for the box method | ||
| 37 | */ | ||
| 38 | template <class TypeTag, ReferenceSystemFormulation referenceSystem> | ||
| 39 | class DispersionFluxImplementation<TypeTag, DiscretizationMethods::Box, referenceSystem> | ||
| 40 | { | ||
| 41 | using Scalar = GetPropType<TypeTag, Properties::Scalar>; | ||
| 42 | using Problem = GetPropType<TypeTag, Properties::Problem>; | ||
| 43 | using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>; | ||
| 44 | using VolumeVariables = GetPropType<TypeTag, Properties::VolumeVariables>; | ||
| 45 | using GridGeometry = GetPropType<TypeTag, Properties::GridGeometry>; | ||
| 46 | using FVElementGeometry = typename GridGeometry::LocalView; | ||
| 47 | using SubControlVolume = typename GridGeometry::SubControlVolume; | ||
| 48 | using SubControlVolumeFace = typename GridGeometry::SubControlVolumeFace; | ||
| 49 | using Extrusion = Extrusion_t<GridGeometry>; | ||
| 50 | using ElementVolumeVariables = typename GetPropType<TypeTag, Properties::GridVolumeVariables>::LocalView; | ||
| 51 | using GridFluxVariablesCache = GetPropType<TypeTag, Properties::GridFluxVariablesCache>; | ||
| 52 | using ElementFluxVariablesCache = typename GridFluxVariablesCache::LocalView; | ||
| 53 | using FluxVarCache = typename GridFluxVariablesCache::FluxVariablesCache; | ||
| 54 | using FluxVariables = GetPropType<TypeTag, Properties::FluxVariables>; | ||
| 55 | using FluxTraits = typename Dumux::FluxTraits<FluxVariables>; | ||
| 56 | using BalanceEqOpts = GetPropType<TypeTag, Properties::BalanceEqOpts>; | ||
| 57 | using GridView = typename GetPropType<TypeTag, Properties::GridGeometry>::GridView; | ||
| 58 | using Element = typename GridView::template Codim<0>::Entity; | ||
| 59 | using ModelTraits = GetPropType<TypeTag, Properties::ModelTraits>; | ||
| 60 | using Indices = typename ModelTraits::Indices; | ||
| 61 | |||
| 62 | static constexpr int dim = GridView::dimension; | ||
| 63 | static constexpr int dimWorld = GridView::dimensionworld; | ||
| 64 | |||
| 65 | static constexpr int numPhases = ModelTraits::numFluidPhases(); | ||
| 66 | static constexpr int numComponents = ModelTraits::numFluidComponents(); | ||
| 67 | |||
| 68 | using DimWorldMatrix = Dune::FieldMatrix<Scalar, dimWorld, dimWorld>; | ||
| 69 | using ComponentFluxVector = Dune::FieldVector<Scalar, numComponents>; | ||
| 70 | using HeatFluxScalar = Scalar; | ||
| 71 | |||
| 72 | static constexpr bool stationaryVelocityField = FluxTraits::hasStationaryVelocityField(); | ||
| 73 | |||
| 74 | public: | ||
| 75 | |||
| 76 | //return the reference system | ||
| 77 | static constexpr ReferenceSystemFormulation referenceSystemFormulation() | ||
| 78 | { return referenceSystem; } | ||
| 79 | |||
| 80 | /*! | ||
| 81 | * \brief Returns the dispersive fluxes of all components within | ||
| 82 | * a fluid phase across the given sub-control volume face. | ||
| 83 | * The computed fluxes are given in mole/s or kg/s, depending | ||
| 84 | * on the template parameter ReferenceSystemFormulation. | ||
| 85 | */ | ||
| 86 | 11286800 | static ComponentFluxVector compositionalDispersionFlux(const Problem& problem, | |
| 87 | const Element& element, | ||
| 88 | const FVElementGeometry& fvGeometry, | ||
| 89 | const ElementVolumeVariables& elemVolVars, | ||
| 90 | const SubControlVolumeFace& scvf, | ||
| 91 | const int phaseIdx, | ||
| 92 | const ElementFluxVariablesCache& elemFluxVarsCache) | ||
| 93 | { | ||
| 94 | 11286800 | ComponentFluxVector componentFlux(0.0); | |
| 95 | |||
| 96 | 11286800 | const auto& fluxVarsCache = elemFluxVarsCache[scvf]; | |
| 97 | 11286800 | const auto& shapeValues = fluxVarsCache.shapeValues(); | |
| 98 | |||
| 99 | // density interpolation | ||
| 100 | 11286800 | Scalar rhoMassOrMole(0.0); | |
| 101 |
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56434000 | for (auto&& scv : scvs(fvGeometry)) |
| 102 | { | ||
| 103 | 45147200 | const auto rho = massOrMolarDensity(elemVolVars[scv], referenceSystem, phaseIdx); | |
| 104 | 45147200 | rhoMassOrMole += rho * shapeValues[scv.indexInElement()][0]; | |
| 105 | } | ||
| 106 | |||
| 107 |
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11286800 | const auto& insideVolVars = elemVolVars[scvf.insideScvIdx()]; |
| 108 | 11286800 | const auto& outsideVolVars = elemVolVars[scvf.outsideScvIdx()]; | |
| 109 | |||
| 110 |
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33860400 | for (int compIdx = 0; compIdx < numComponents; compIdx++) |
| 111 | { | ||
| 112 | if constexpr (!FluidSystem::isTracerFluidSystem()) | ||
| 113 |
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20553600 | if (compIdx == FluidSystem::getMainComponent(phaseIdx)) |
| 114 | 10276800 | continue; | |
| 115 | |||
| 116 | // collect the dispersion tensor, the fluxVarsCache and the shape values | ||
| 117 | 29658400 | const auto& dispersionTensor = [&]() | |
| 118 | { | ||
| 119 | 12296800 | const auto& tensor = | |
| 120 |
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12296800 | ModelTraits::CompositionalDispersionModel::compositionalDispersionTensor(problem, scvf, fvGeometry, |
| 121 | elemVolVars, elemFluxVarsCache, | ||
| 122 | phaseIdx, compIdx); | ||
| 123 | |||
| 124 |
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12296800 | if (Dune::FloatCmp::eq(insideVolVars.extrusionFactor(), outsideVolVars.extrusionFactor(), 1e-6)) |
| 125 | 12296800 | return insideVolVars.extrusionFactor()*tensor; | |
| 126 | else | ||
| 127 | { | ||
| 128 | ✗ | const auto insideTensor = insideVolVars.extrusionFactor() * tensor; | |
| 129 | ✗ | const auto outsideTensor = outsideVolVars.extrusionFactor() * tensor; | |
| 130 | |||
| 131 | // the resulting averaged dispersion tensor | ||
| 132 | ✗ | return faceTensorAverage(insideTensor, outsideTensor, scvf.unitOuterNormal()); | |
| 133 | } | ||
| 134 | 12296800 | }(); | |
| 135 | |||
| 136 | // the mole/mass fraction gradient | ||
| 137 | 12296800 | Dune::FieldVector<Scalar, dimWorld> gradX(0.0); | |
| 138 |
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61484000 | for (auto&& scv : scvs(fvGeometry)) |
| 139 | { | ||
| 140 | 49187200 | const auto x = massOrMoleFraction(elemVolVars[scv], referenceSystem, phaseIdx, compIdx); | |
| 141 | 98374400 | gradX.axpy(x, fluxVarsCache.gradN(scv.indexInElement())); | |
| 142 | } | ||
| 143 | |||
| 144 | // compute the dispersion flux | ||
| 145 | 12296800 | componentFlux[compIdx] = -1.0 * rhoMassOrMole * vtmv(scvf.unitOuterNormal(), dispersionTensor, gradX)*Extrusion::area(fvGeometry, scvf); | |
| 146 | if constexpr (!FluidSystem::isTracerFluidSystem()) | ||
| 147 | 3044800 | if (BalanceEqOpts::mainComponentIsBalanced(phaseIdx)) | |
| 148 | 10276800 | componentFlux[FluidSystem::getMainComponent(phaseIdx)] -= componentFlux[compIdx]; | |
| 149 | } | ||
| 150 | 11286800 | return componentFlux; | |
| 151 | } | ||
| 152 | |||
| 153 | /*! | ||
| 154 | * \brief Returns the thermal dispersive flux | ||
| 155 | * across the given sub-control volume face. | ||
| 156 | */ | ||
| 157 |
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5622400 | static HeatFluxScalar thermalDispersionFlux(const Problem& problem, |
| 158 | const Element& element, | ||
| 159 | const FVElementGeometry& fvGeometry, | ||
| 160 | const ElementVolumeVariables& elemVolVars, | ||
| 161 | const SubControlVolumeFace& scvf, | ||
| 162 | const int phaseIdx, | ||
| 163 | const ElementFluxVariablesCache& elemFluxVarsCache) | ||
| 164 | { | ||
| 165 |
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5622400 | const auto& insideVolVars = elemVolVars[scvf.insideScvIdx()]; |
| 166 | const auto& outsideVolVars = elemVolVars[scvf.outsideScvIdx()]; | ||
| 167 | |||
| 168 | // collect the dispersion tensor | ||
| 169 | 9161600 | const auto& dispersionTensor = [&]() | |
| 170 | { | ||
| 171 | 5622400 | const auto& tensor = | |
| 172 |
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5622400 | ModelTraits::ThermalDispersionModel::thermalDispersionTensor(problem, scvf, fvGeometry, |
| 173 | elemVolVars, elemFluxVarsCache, | ||
| 174 | phaseIdx); | ||
| 175 | |||
| 176 |
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5622400 | if (Dune::FloatCmp::eq(insideVolVars.extrusionFactor(), outsideVolVars.extrusionFactor(), 1e-6)) |
| 177 | 5622400 | return insideVolVars.extrusionFactor()*tensor; | |
| 178 | else | ||
| 179 | { | ||
| 180 | ✗ | const auto insideTensor = insideVolVars.extrusionFactor() * tensor; | |
| 181 | ✗ | const auto outsideTensor = outsideVolVars.extrusionFactor() * tensor; | |
| 182 | |||
| 183 | // the resulting averaged dispersion tensor | ||
| 184 | ✗ | return faceTensorAverage(insideTensor, outsideTensor, scvf.unitOuterNormal()); | |
| 185 | } | ||
| 186 | 5622400 | }(); | |
| 187 | |||
| 188 | // compute the temperature gradient with the shape functions | ||
| 189 | 5622400 | const auto& fluxVarsCache = elemFluxVarsCache[scvf]; | |
| 190 | 5622400 | Dune::FieldVector<Scalar, GridView::dimensionworld> gradTemp(0.0); | |
| 191 |
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28112000 | for (auto&& scv : scvs(fvGeometry)) |
| 192 | 44979200 | gradTemp.axpy(elemVolVars[scv].temperature(), fluxVarsCache.gradN(scv.indexInElement())); | |
| 193 | |||
| 194 | // compute the heat conduction flux | ||
| 195 | 5622400 | return -1.0*vtmv(scvf.unitOuterNormal(), dispersionTensor, gradTemp)*Extrusion::area(fvGeometry, scvf); | |
| 196 | } | ||
| 197 | |||
| 198 | }; | ||
| 199 | |||
| 200 | } // end namespace Dumux | ||
| 201 | |||
| 202 | #endif | ||
| 203 |