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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 OnePNCTests | ||
| 10 | * \brief Definition of a problem for the 1pnc problem: | ||
| 11 | * Component transport of nitrogen dissolved in the water phase. | ||
| 12 | */ | ||
| 13 | |||
| 14 | #ifndef DUMUX_1P2C_TEST_PROBLEM_HH | ||
| 15 | #define DUMUX_1P2C_TEST_PROBLEM_HH | ||
| 16 | |||
| 17 | #include <dumux/common/properties.hh> | ||
| 18 | #include <dumux/common/parameters.hh> | ||
| 19 | |||
| 20 | #include <dumux/common/boundarytypes.hh> | ||
| 21 | #include <dumux/common/numeqvector.hh> | ||
| 22 | #include <dumux/porousmediumflow/problem.hh> | ||
| 23 | |||
| 24 | |||
| 25 | namespace Dumux { | ||
| 26 | |||
| 27 | /*! | ||
| 28 | * \ingroup OnePNCTests | ||
| 29 | * \brief Definition of a problem for the 1pnc problem: | ||
| 30 | * Component transport of nitrogen dissolved in the water phase. | ||
| 31 | * | ||
| 32 | * Nitrogen is dissolved in the water phase and is transported with the | ||
| 33 | * water flow from the left side to the right. | ||
| 34 | * | ||
| 35 | * The model domain is specified in the input file and | ||
| 36 | * we use homogeneous soil properties. | ||
| 37 | * Initially, the domain is filled with pure water. | ||
| 38 | * | ||
| 39 | * At the left side, a Dirichlet condition defines a nitrogen mole fraction. | ||
| 40 | * The water phase flows from the left side to the right if the applied pressure | ||
| 41 | * gradient is >0. The nitrogen is transported with the water flow | ||
| 42 | * and leaves the domain at theboundary, where again Dirichlet boundary | ||
| 43 | * conditions are applied. | ||
| 44 | * | ||
| 45 | * This problem uses the \ref OnePNCModel model. | ||
| 46 | */ | ||
| 47 | template <class TypeTag> | ||
| 48 | 7 | class OnePNCDispersionProblem : public PorousMediumFlowProblem<TypeTag> | |
| 49 | { | ||
| 50 | using ParentType = PorousMediumFlowProblem<TypeTag>; | ||
| 51 | |||
| 52 | using Scalar = GetPropType<TypeTag, Properties::Scalar>; | ||
| 53 | using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>; | ||
| 54 | using BoundaryTypes = Dumux::BoundaryTypes<GetPropType<TypeTag, Properties::ModelTraits>::numEq()>; | ||
| 55 | using PrimaryVariables = GetPropType<TypeTag, Properties::PrimaryVariables>; | ||
| 56 | using NumEqVector = Dumux::NumEqVector<PrimaryVariables>; | ||
| 57 | using GridView = typename GetPropType<TypeTag, Properties::GridGeometry>::GridView; | ||
| 58 | using Element = typename GridView::template Codim<0>::Entity; | ||
| 59 | |||
| 60 | using GridGeometry = GetPropType<TypeTag, Properties::GridGeometry>; | ||
| 61 | using FVElementGeometry = typename GetPropType<TypeTag, Properties::GridGeometry>::LocalView; | ||
| 62 | using SubControlVolumeFace = typename FVElementGeometry::SubControlVolumeFace; | ||
| 63 | |||
| 64 | using GridVariables = GetPropType<TypeTag, Properties::GridVariables>; | ||
| 65 | using ElementVolumeVariables = typename GridVariables::GridVolumeVariables::LocalView; | ||
| 66 | using ElementFluxVariablesCache = typename GridVariables::GridFluxVariablesCache::LocalView; | ||
| 67 | |||
| 68 | // copy some indices for convenience | ||
| 69 | using Indices = typename GetPropType<TypeTag, Properties::ModelTraits>::Indices; | ||
| 70 | |||
| 71 | enum | ||
| 72 | { | ||
| 73 | #if NONISOTHERMAL | ||
| 74 | energyEqIdx = Indices::energyEqIdx, | ||
| 75 | #endif | ||
| 76 | // indices of the primary variables | ||
| 77 | pressureIdx = Indices::pressureIdx, | ||
| 78 | |||
| 79 | // component indices | ||
| 80 | H2OIdx = FluidSystem::compIdx(FluidSystem::MultiPhaseFluidSystem::H2OIdx), | ||
| 81 | N2Idx = FluidSystem::compIdx(FluidSystem::MultiPhaseFluidSystem::N2Idx), | ||
| 82 | // indices of the equations | ||
| 83 | contiH2OEqIdx = Indices::conti0EqIdx + H2OIdx, | ||
| 84 | contiN2EqIdx = Indices::conti0EqIdx + N2Idx | ||
| 85 | }; | ||
| 86 | |||
| 87 | //! Property that defines whether mole or mass fractions are used | ||
| 88 | static constexpr bool useMoles = getPropValue<TypeTag, Properties::UseMoles>(); | ||
| 89 | static constexpr int numFluidComps = FluidSystem::numComponents; | ||
| 90 | static const int dimWorld = GridView::dimensionworld; | ||
| 91 | using GlobalPosition = typename SubControlVolumeFace::GlobalPosition; | ||
| 92 | |||
| 93 | public: | ||
| 94 | 7 | OnePNCDispersionProblem(std::shared_ptr<const GridGeometry> gridGeometry) | |
| 95 |
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21 | : ParentType(gridGeometry) |
| 96 | { | ||
| 97 | //initialize fluid system | ||
| 98 | FluidSystem::init(); | ||
| 99 | |||
| 100 | // stating in the console whether mole or mass fractions are used | ||
| 101 | if constexpr (useMoles) | ||
| 102 |
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7 | std::cout<<"problem uses mole fractions" << '\n'; |
| 103 | else | ||
| 104 | std::cout<<"problem uses mass fractions" << '\n'; | ||
| 105 | |||
| 106 |
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7 | boundaryConcentration_ = getParam<Scalar>("Problem.BoundaryConcentration"); |
| 107 |
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7 | temperatureDifference_ = getParam<Scalar>("Problem.BoundaryTemperatureDifference"); |
| 108 |
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7 | counterFlowRate_ = getParam<Scalar>("Problem.CounterFlowRate"); |
| 109 |
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7 | pressure_ = getParam<Scalar>("Problem.Pressure"); |
| 110 |
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7 | problemName_ = getParam<std::string>("Problem.Name"); |
| 111 | 7 | } | |
| 112 | |||
| 113 | /*! | ||
| 114 | * \brief The problem name. | ||
| 115 | */ | ||
| 116 | 7 | const std::string& name() const | |
| 117 |
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7 | { return problemName_; } |
| 118 | |||
| 119 | /*! | ||
| 120 | * \brief Specifies which kind of boundary condition should be | ||
| 121 | * used for which equation on a given boundary segment. | ||
| 122 | */ | ||
| 123 | 170196 | BoundaryTypes boundaryTypesAtPos(const GlobalPosition &globalPos) const | |
| 124 | { | ||
| 125 |
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588900 | BoundaryTypes values; |
| 126 | |||
| 127 | 170196 | values.setAllDirichlet(); | |
| 128 | |||
| 129 | 296752 | if (isRightBoundary_(globalPos) || | |
| 130 |
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170196 | isLowerBoundary_(globalPos) || |
| 131 |
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84007 | isUpperBoundary_(globalPos) ) |
| 132 | 170196 | values.setAllNeumann(); | |
| 133 | |||
| 134 | 170196 | return values; | |
| 135 | } | ||
| 136 | |||
| 137 | /*! | ||
| 138 | * \brief Evaluate the boundary conditions for a dirichlet | ||
| 139 | * boundary segment. | ||
| 140 | * | ||
| 141 | * For this method, the \a values parameter stores primary variables. | ||
| 142 | */ | ||
| 143 | 41458 | PrimaryVariables dirichletAtPos(const GlobalPosition &globalPos) const | |
| 144 | { | ||
| 145 | 41458 | PrimaryVariables values = initialAtPos(globalPos); | |
| 146 | |||
| 147 | if (isLeftBoundary_(globalPos)) | ||
| 148 | { | ||
| 149 | 41458 | values[contiN2EqIdx] = boundaryConcentration_; | |
| 150 | // assumes simplified density | ||
| 151 | if (!useMoles) | ||
| 152 | values[contiN2EqIdx] *= FluidSystem::molarMass(N2Idx) / FluidSystem::molarMass(H2OIdx); | ||
| 153 | #if NONISOTHERMAL | ||
| 154 | 19076 | values[energyEqIdx] = this->spatialParams().temperatureAtPos(globalPos) + temperatureDifference_; | |
| 155 | #endif | ||
| 156 | } | ||
| 157 | |||
| 158 | 41458 | return values; | |
| 159 | } | ||
| 160 | |||
| 161 | /*! | ||
| 162 | * \brief Evaluates the boundary conditions for a neumann | ||
| 163 | * boundary segment (implementation for the box scheme). | ||
| 164 | * | ||
| 165 | * This is the method for the case where the Neumann condition is | ||
| 166 | * potentially solution dependent and requires some quantities that | ||
| 167 | * are specific to the fully-implicit method. | ||
| 168 | * | ||
| 169 | * \param element The finite element | ||
| 170 | * \param fvGeometry The finite-volume geometry | ||
| 171 | * \param elemVolVars All volume variables for the element | ||
| 172 | * \param elemFluxVarsCache Flux variables caches for all faces in stencil | ||
| 173 | * \param scvf The sub-control volume face | ||
| 174 | * | ||
| 175 | * For this method, the \a values parameter stores the flux | ||
| 176 | * in normal direction of each phase. Negative values mean influx. | ||
| 177 | * E.g. for the mass balance that would be the mass flux in \f$ [ kg / (m^2 \cdot s)] \f$. | ||
| 178 | */ | ||
| 179 | 783606 | NumEqVector neumann(const Element& element, | |
| 180 | const FVElementGeometry& fvGeometry, | ||
| 181 | const ElementVolumeVariables& elemVolVars, | ||
| 182 | const ElementFluxVariablesCache& elemFluxVarsCache, | ||
| 183 | const SubControlVolumeFace& scvf) const | ||
| 184 | { | ||
| 185 | 783606 | const auto globalPos = element.geometry().corner(scvf.insideScvIdx()); | |
| 186 | 783606 | NumEqVector values(0.0); | |
| 187 |
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783606 | if (isRightBoundary_(globalPos)) |
| 188 | 269766 | values[contiH2OEqIdx] = -1.0 * counterFlowRate_ * (useMoles ? 1.0 : FluidSystem::molarMass(H2OIdx)); | |
| 189 | 783606 | return values; | |
| 190 | } | ||
| 191 | |||
| 192 | /*! | ||
| 193 | * \brief Evaluates the source term for all phases within a given | ||
| 194 | * sub-control volume. | ||
| 195 | * | ||
| 196 | * For this method, the \a priVars parameter stores the rate mass | ||
| 197 | * of a component is generated or annihilated per volume | ||
| 198 | * unit. Positive values mean that mass is created, negative ones | ||
| 199 | * mean that it vanishes. | ||
| 200 | * | ||
| 201 | * The units must be according to either using mole or mass fractions (mole/(m^3*s) or kg/(m^3*s)). | ||
| 202 | */ | ||
| 203 | 10276800 | NumEqVector sourceAtPos(const GlobalPosition &globalPos) const | |
| 204 |
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37420800 | { return NumEqVector(0.0); } |
| 205 | |||
| 206 | //#### initial value for a control volume | ||
| 207 | 44545 | PrimaryVariables initialAtPos(const GlobalPosition &globalPos) const | |
| 208 | { | ||
| 209 | 44545 | PrimaryVariables values; | |
| 210 | |||
| 211 | 44545 | GetPropType<TypeTag, Properties::FluidState> fluidState; | |
| 212 | 44545 | const Scalar depth = this->gridGeometry().bBoxMax()[1] - globalPos[1]; | |
| 213 | 44545 | const Scalar gravity = this->spatialParams().gravity(globalPos)[1]; | |
| 214 | 44545 | const Scalar moleFraction = 0.0; //initial condition for the molefraction | |
| 215 | 44545 | fluidState.setTemperature(this->spatialParams().temperatureAtPos(globalPos)); | |
| 216 | 44545 | fluidState.setPressure(0, pressure_); | |
| 217 | 44545 | fluidState.setMoleFraction(0, N2Idx, moleFraction); | |
| 218 | 44545 | fluidState.setMoleFraction(0, H2OIdx, 1.0-moleFraction); | |
| 219 | 44545 | const Scalar density = FluidSystem::density(fluidState, 0); | |
| 220 | 44545 | const Scalar molarMass = density / FluidSystem::molarDensity(fluidState, 0); | |
| 221 | 44545 | const Scalar massFraction = moleFraction * FluidSystem::molarMass(N2Idx) / molarMass; | |
| 222 | |||
| 223 | 44545 | values[Indices::pressureIdx] = pressure_ - (density * gravity * depth); //initial condition for the pressure | |
| 224 | 44545 | values[contiN2EqIdx] = useMoles ? moleFraction : massFraction; | |
| 225 | #if NONISOTHERMAL | ||
| 226 | 20399 | values[energyEqIdx] = this->spatialParams().temperatureAtPos(globalPos); | |
| 227 | #endif | ||
| 228 | 44545 | return values; | |
| 229 | } | ||
| 230 | |||
| 231 | private: | ||
| 232 |
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41458 | bool isLeftBoundary_(const GlobalPosition& globalPos) const |
| 233 |
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41458 | { return globalPos[0] < this->gridGeometry().bBoxMin()[0] + eps_; } |
| 234 | |||
| 235 |
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953802 | bool isRightBoundary_(const GlobalPosition& globalPos) const |
| 236 |
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953802 | { return globalPos[0] > this->gridGeometry().bBoxMax()[0] - eps_; } |
| 237 | |||
| 238 |
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126556 | bool isLowerBoundary_(const GlobalPosition& globalPos) const |
| 239 |
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126556 | { return globalPos[1] < this->gridGeometry().bBoxMin()[1] + eps_; } |
| 240 | |||
| 241 |
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84007 | bool isUpperBoundary_(const GlobalPosition& globalPos) const |
| 242 |
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84007 | { return globalPos[1] > this->gridGeometry().bBoxMax()[1] - eps_; } |
| 243 | |||
| 244 | static constexpr Scalar eps_ = 1e-6; | ||
| 245 | Scalar pressure_; | ||
| 246 | Scalar counterFlowRate_; | ||
| 247 | Scalar temperatureDifference_; | ||
| 248 | Scalar boundaryConcentration_; | ||
| 249 | std::string problemName_; | ||
| 250 | }; | ||
| 251 | |||
| 252 | } // end namespace Dumux | ||
| 253 | |||
| 254 | #endif | ||
| 255 |