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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 PorousmediumflowModels | ||
| 10 | * \brief Element-wise calculation of the local residual for problems | ||
| 11 | * using compositional fully implicit model. | ||
| 12 | */ | ||
| 13 | |||
| 14 | #ifndef DUMUX_COMPOSITIONAL_LOCAL_RESIDUAL_HH | ||
| 15 | #define DUMUX_COMPOSITIONAL_LOCAL_RESIDUAL_HH | ||
| 16 | |||
| 17 | #include <vector> | ||
| 18 | #include <dune/common/exceptions.hh> | ||
| 19 | #include <dumux/common/properties.hh> | ||
| 20 | #include <dumux/common/numeqvector.hh> | ||
| 21 | #include <dumux/discretization/method.hh> | ||
| 22 | #include <dumux/flux/referencesystemformulation.hh> | ||
| 23 | |||
| 24 | namespace Dumux { | ||
| 25 | |||
| 26 | /*! | ||
| 27 | * \ingroup PorousmediumflowModels | ||
| 28 | * \brief Element-wise calculation of the local residual for problems | ||
| 29 | * using compositional fully implicit model. | ||
| 30 | */ | ||
| 31 | template<class TypeTag> | ||
| 32 | class CompositionalLocalResidual: public GetPropType<TypeTag, Properties::BaseLocalResidual> | ||
| 33 | { | ||
| 34 | using ParentType = GetPropType<TypeTag, Properties::BaseLocalResidual>; | ||
| 35 | using Implementation = GetPropType<TypeTag, Properties::LocalResidual>; | ||
| 36 | using Scalar = GetPropType<TypeTag, Properties::Scalar>; | ||
| 37 | using Problem = GetPropType<TypeTag, Properties::Problem>; | ||
| 38 | using FVElementGeometry = typename GetPropType<TypeTag, Properties::GridGeometry>::LocalView; | ||
| 39 | using SubControlVolume = typename FVElementGeometry::SubControlVolume; | ||
| 40 | using SubControlVolumeFace = typename FVElementGeometry::SubControlVolumeFace; | ||
| 41 | using NumEqVector = Dumux::NumEqVector<GetPropType<TypeTag, Properties::PrimaryVariables>>; | ||
| 42 | using FluxVariables = GetPropType<TypeTag, Properties::FluxVariables>; | ||
| 43 | using ElementFluxVariablesCache = typename GetPropType<TypeTag, Properties::GridFluxVariablesCache>::LocalView; | ||
| 44 | using GridView = typename GetPropType<TypeTag, Properties::GridGeometry>::GridView; | ||
| 45 | using Element = typename GridView::template Codim<0>::Entity; | ||
| 46 | using ElementVolumeVariables = typename GetPropType<TypeTag, Properties::GridVolumeVariables>::LocalView; | ||
| 47 | using VolumeVariables = GetPropType<TypeTag, Properties::VolumeVariables>; | ||
| 48 | using EnergyLocalResidual = GetPropType<TypeTag, Properties::EnergyLocalResidual>; | ||
| 49 | using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>; | ||
| 50 | using ModelTraits = GetPropType<TypeTag, Properties::ModelTraits>; | ||
| 51 | using Indices = typename ModelTraits::Indices; | ||
| 52 | |||
| 53 | static constexpr int numPhases = ModelTraits::numFluidPhases(); | ||
| 54 | static constexpr int numComponents = ModelTraits::numFluidComponents(); | ||
| 55 | static constexpr bool useMoles = ModelTraits::useMoles(); | ||
| 56 | |||
| 57 | enum { conti0EqIdx = Indices::conti0EqIdx }; | ||
| 58 | |||
| 59 | //! The index of the component balance equation that gets replaced with the total mass balance | ||
| 60 | static constexpr int replaceCompEqIdx = ModelTraits::replaceCompEqIdx(); | ||
| 61 | static constexpr bool useTotalMoleOrMassBalance = replaceCompEqIdx < numComponents; | ||
| 62 | |||
| 63 | public: | ||
| 64 |
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19626962 | using ParentType::ParentType; |
| 65 | |||
| 66 | /*! | ||
| 67 | * \brief Evaluates the amount of all conservation quantities | ||
| 68 | * (e.g. phase mass) within a sub-control volume. | ||
| 69 | * | ||
| 70 | * The result should be averaged over the volume (e.g. phase mass | ||
| 71 | * inside a sub control volume divided by the volume) | ||
| 72 | * | ||
| 73 | * \param problem The problem | ||
| 74 | * \param scv The sub control volume | ||
| 75 | * \param volVars The current or previous volVars | ||
| 76 | */ | ||
| 77 | 395169608 | NumEqVector computeStorage(const Problem& problem, | |
| 78 | const SubControlVolume& scv, | ||
| 79 | const VolumeVariables& volVars) const | ||
| 80 | { | ||
| 81 | 411307548 | NumEqVector storage(0.0); | |
| 82 | |||
| 83 | ✗ | const auto massOrMoleDensity = [](const auto& volVars, const int phaseIdx) | |
| 84 |
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2656382384 | { return useMoles ? volVars.molarDensity(phaseIdx) : volVars.density(phaseIdx); }; |
| 85 | |||
| 86 | ✗ | const auto massOrMoleFraction= [](const auto& volVars, const int phaseIdx, const int compIdx) | |
| 87 |
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1182035648 | { return useMoles ? volVars.moleFraction(phaseIdx, compIdx) : volVars.massFraction(phaseIdx, compIdx); }; |
| 88 | |||
| 89 | // compute storage term of all components within all phases | ||
| 90 |
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1159110720 | for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) |
| 91 | { | ||
| 92 |
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2410537644 | for (int compIdx = 0; compIdx < numComponents; ++compIdx) |
| 93 | { | ||
| 94 | 1516313736 | auto eqIdx = conti0EqIdx + compIdx; | |
| 95 |
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78956544 | if (eqIdx != replaceCompEqIdx) |
| 96 | 1631154160 | storage[eqIdx] += volVars.porosity() | |
| 97 | 2964692120 | * volVars.saturation(phaseIdx) | |
| 98 | 1631154160 | * massOrMoleDensity(volVars, phaseIdx) | |
| 99 | 2317113728 | * massOrMoleFraction(volVars, phaseIdx, compIdx); | |
| 100 | } | ||
| 101 | |||
| 102 | // in case one balance is substituted by the total mole balance | ||
| 103 | if (useTotalMoleOrMassBalance) | ||
| 104 | 31580312 | storage[replaceCompEqIdx] += massOrMoleDensity(volVars, phaseIdx) | |
| 105 | 31580312 | * volVars.porosity() | |
| 106 | 63160624 | * volVars.saturation(phaseIdx); | |
| 107 | |||
| 108 | //! The energy storage in the fluid phase with index phaseIdx | ||
| 109 | 1184945928 | EnergyLocalResidual::fluidPhaseStorage(storage, problem, scv, volVars, phaseIdx); | |
| 110 | } | ||
| 111 | |||
| 112 | //! The energy storage in the solid matrix | ||
| 113 | 654315092 | EnergyLocalResidual::solidPhaseStorage(storage, scv, volVars); | |
| 114 | |||
| 115 | 408837796 | return storage; | |
| 116 | } | ||
| 117 | |||
| 118 | /*! | ||
| 119 | * \brief Evaluates the total flux of all conservation quantities | ||
| 120 | * over a face of a sub-control volume. | ||
| 121 | * | ||
| 122 | * \param problem The problem | ||
| 123 | * \param element The current element. | ||
| 124 | * \param fvGeometry The finite-volume geometry | ||
| 125 | * \param elemVolVars The volume variables of the current element | ||
| 126 | * \param scvf The sub control volume face to compute the flux on | ||
| 127 | * \param elemFluxVarsCache The cache related to flux computation | ||
| 128 | */ | ||
| 129 | 408052815 | NumEqVector computeFlux(const Problem& problem, | |
| 130 | const Element& element, | ||
| 131 | const FVElementGeometry& fvGeometry, | ||
| 132 | const ElementVolumeVariables& elemVolVars, | ||
| 133 | const SubControlVolumeFace& scvf, | ||
| 134 | const ElementFluxVariablesCache& elemFluxVarsCache) const | ||
| 135 | { | ||
| 136 | 408052815 | FluxVariables fluxVars; | |
| 137 | 408052815 | fluxVars.init(problem, element, fvGeometry, elemVolVars, scvf, elemFluxVarsCache); | |
| 138 | static constexpr auto referenceSystemFormulation = FluxVariables::MolecularDiffusionType::referenceSystemFormulation(); | ||
| 139 | // get upwind weights into local scope | ||
| 140 | 408052815 | NumEqVector flux(0.0); | |
| 141 | |||
| 142 | ✗ | const auto massOrMoleDensity = [](const auto& volVars, const int phaseIdx) | |
| 143 |
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5687164360 | { return useMoles ? volVars.molarDensity(phaseIdx) : volVars.density(phaseIdx); }; |
| 144 | |||
| 145 | ✗ | const auto massOrMoleFraction= [](const auto& volVars, const int phaseIdx, const int compIdx) | |
| 146 |
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1156756000 | { return useMoles ? volVars.moleFraction(phaseIdx, compIdx) : volVars.massFraction(phaseIdx, compIdx); }; |
| 147 | |||
| 148 | // advective fluxes | ||
| 149 |
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1160508350 | for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) |
| 150 | { | ||
| 151 | 752455535 | const auto diffusiveFluxes = fluxVars.molecularDiffusionFlux(phaseIdx); | |
| 152 |
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2308201973 | for (int compIdx = 0; compIdx < numComponents; ++compIdx) |
| 153 | { | ||
| 154 | // get equation index | ||
| 155 | 1555746438 | const auto eqIdx = conti0EqIdx + compIdx; | |
| 156 | |||
| 157 | // the physical quantities for which we perform upwinding | ||
| 158 | 8143327606 | const auto upwindTerm = [&massOrMoleDensity, &massOrMoleFraction, phaseIdx, compIdx] (const auto& volVars) | |
| 159 |
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6694325792 | { return massOrMoleDensity(volVars, phaseIdx)*massOrMoleFraction(volVars, phaseIdx, compIdx)*volVars.mobility(phaseIdx); }; |
| 160 | |||
| 161 |
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63440304 | if (eqIdx != replaceCompEqIdx) |
| 162 |
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1529591862 | flux[eqIdx] += fluxVars.advectiveFlux(phaseIdx, upwindTerm); |
| 163 | |||
| 164 | // diffusive fluxes (only for the component balances) | ||
| 165 |
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63440304 | if(eqIdx != replaceCompEqIdx) |
| 166 | { | ||
| 167 | //check for the reference system and adapt units of the diffusive flux accordingly. | ||
| 168 | if (referenceSystemFormulation == ReferenceSystemFormulation::massAveraged) | ||
| 169 |
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2460137722 | flux[eqIdx] += useMoles ? diffusiveFluxes[compIdx]/FluidSystem::molarMass(compIdx) |
| 170 | 2254395264 | : diffusiveFluxes[compIdx]; | |
| 171 | else if (referenceSystemFormulation == ReferenceSystemFormulation::molarAveraged) | ||
| 172 | flux[eqIdx] += useMoles ? diffusiveFluxes[compIdx] | ||
| 173 | : diffusiveFluxes[compIdx]*FluidSystem::molarMass(compIdx); | ||
| 174 | else | ||
| 175 | DUNE_THROW(Dune::NotImplemented, "other reference systems than mass and molar averaged are not implemented"); | ||
| 176 | } | ||
| 177 | } | ||
| 178 | |||
| 179 | // in case one balance is substituted by the total mole balance | ||
| 180 | if (useTotalMoleOrMassBalance) | ||
| 181 | { | ||
| 182 | // the physical quantities for which we perform upwinding | ||
| 183 | 130772880 | const auto upwindTerm = [&massOrMoleDensity, phaseIdx] (const auto& volVars) | |
| 184 |
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101271696 | { return massOrMoleDensity(volVars, phaseIdx)*volVars.mobility(phaseIdx); }; |
| 185 | |||
| 186 | 26154576 | flux[replaceCompEqIdx] += fluxVars.advectiveFlux(phaseIdx, upwindTerm); | |
| 187 | |||
| 188 |
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89594880 | for(int compIdx = 0; compIdx < numComponents; ++compIdx) |
| 189 | { | ||
| 190 | //check for the reference system and adapt units of the diffusive flux accordingly. | ||
| 191 | if (referenceSystemFormulation == ReferenceSystemFormulation::massAveraged) | ||
| 192 |
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156927456 | flux[replaceCompEqIdx] += useMoles ? diffusiveFluxes[compIdx]/FluidSystem::molarMass(compIdx) : diffusiveFluxes[compIdx]; |
| 193 | else if (referenceSystemFormulation == ReferenceSystemFormulation::molarAveraged) | ||
| 194 | flux[replaceCompEqIdx] += useMoles ? diffusiveFluxes[compIdx] | ||
| 195 | : diffusiveFluxes[compIdx]*FluidSystem::molarMass(compIdx); | ||
| 196 | else | ||
| 197 | DUNE_THROW(Dune::NotImplemented, "other reference systems than mass and molar averaged are not implemented"); | ||
| 198 | } | ||
| 199 | } | ||
| 200 | |||
| 201 | //! Add advective phase energy fluxes. For isothermal model the contribution is zero. | ||
| 202 | 752455535 | EnergyLocalResidual::heatConvectionFlux(flux, fluxVars, phaseIdx); | |
| 203 | |||
| 204 | if constexpr (ModelTraits::enableCompositionalDispersion()) | ||
| 205 | { | ||
| 206 | if constexpr (FVElementGeometry::GridGeometry::discMethod == DiscretizationMethods::box && numPhases == 1) | ||
| 207 | { | ||
| 208 | 8657600 | const auto dispersionFluxes = fluxVars.compositionalDispersionFlux(phaseIdx); | |
| 209 |
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25972800 | for (int compIdx = 0; compIdx < numComponents; ++compIdx) |
| 210 | { | ||
| 211 | 51945600 | flux[compIdx] += dispersionFluxes[compIdx]; | |
| 212 | } | ||
| 213 | } | ||
| 214 | else | ||
| 215 | DUNE_THROW(Dune::NotImplemented, "Dispersion Fluxes are only implemented for single phase flows using the Box method."); | ||
| 216 | } | ||
| 217 | |||
| 218 | } | ||
| 219 | |||
| 220 | //! Add diffusive and dispersive energy fluxes. For isothermal model the contribution is zero. | ||
| 221 | 408052815 | EnergyLocalResidual::heatConductionFlux(flux, fluxVars); | |
| 222 | 408052815 | EnergyLocalResidual::heatDispersionFlux(flux, fluxVars); | |
| 223 | |||
| 224 | 408052815 | return flux; | |
| 225 | } | ||
| 226 | |||
| 227 | protected: | ||
| 228 | Implementation *asImp_() | ||
| 229 | { return static_cast<Implementation *> (this); } | ||
| 230 | |||
| 231 | const Implementation *asImp_() const | ||
| 232 | { return static_cast<const Implementation *> (this); } | ||
| 233 | }; | ||
| 234 | |||
| 235 | } // end namespace Dumux | ||
| 236 | |||
| 237 | #endif | ||
| 238 |