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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 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 the 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 the boundary, where again Dirichlet boundary | ||
| 43 | * conditions are applied. | ||
| 44 | * | ||
| 45 | * This problem uses the \ref OnePNCModel model. | ||
| 46 | */ | ||
| 47 | template <class TypeTag> | ||
| 48 | 3 | class OnePTwoCTestProblem : 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 | // indices of the primary variables | ||
| 74 | pressureIdx = Indices::pressureIdx, | ||
| 75 | |||
| 76 | // component indices | ||
| 77 | H2OIdx = FluidSystem::compIdx(FluidSystem::MultiPhaseFluidSystem::H2OIdx), | ||
| 78 | N2Idx = FluidSystem::compIdx(FluidSystem::MultiPhaseFluidSystem::N2Idx), | ||
| 79 | |||
| 80 | // indices of the equations | ||
| 81 | contiH2OEqIdx = Indices::conti0EqIdx + H2OIdx, | ||
| 82 | contiN2EqIdx = Indices::conti0EqIdx + N2Idx | ||
| 83 | }; | ||
| 84 | |||
| 85 | //! Property that defines whether mole or mass fractions are used | ||
| 86 | static constexpr bool useMoles = getPropValue<TypeTag, Properties::UseMoles>(); | ||
| 87 | static const bool isBox = GetPropType<TypeTag, Properties::GridGeometry>::discMethod == DiscretizationMethods::box; | ||
| 88 | |||
| 89 | static const int dimWorld = GridView::dimensionworld; | ||
| 90 | using GlobalPosition = typename SubControlVolumeFace::GlobalPosition; | ||
| 91 | |||
| 92 | public: | ||
| 93 | 3 | OnePTwoCTestProblem(std::shared_ptr<const GridGeometry> gridGeometry) | |
| 94 |
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9 | : ParentType(gridGeometry), useNitscheTypeBc_(getParam<bool>("Problem.UseNitscheTypeBc", false)) |
| 95 | { | ||
| 96 | //initialize fluid system | ||
| 97 |
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3 | FluidSystem::init(); |
| 98 | |||
| 99 | // stating in the console whether mole or mass fractions are used | ||
| 100 | if(useMoles) | ||
| 101 |
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6 | std::cout<<"problem uses mole fractions"<<std::endl; |
| 102 | else | ||
| 103 | std::cout<<"problem uses mass fractions"<<std::endl; | ||
| 104 | 3 | } | |
| 105 | |||
| 106 | /*! | ||
| 107 | * \name Problem parameters | ||
| 108 | */ | ||
| 109 | // \{ | ||
| 110 | |||
| 111 | // \} | ||
| 112 | |||
| 113 | /*! | ||
| 114 | * \name Boundary conditions | ||
| 115 | */ | ||
| 116 | // \{ | ||
| 117 | |||
| 118 | /*! | ||
| 119 | * \brief Specifies which kind of boundary condition should be | ||
| 120 | * used for which equation on a given boundary segment. | ||
| 121 | * | ||
| 122 | * \param globalPos The position for which the bc type should be evaluated | ||
| 123 | */ | ||
| 124 | ✗ | BoundaryTypes boundaryTypesAtPos(const GlobalPosition &globalPos) const | |
| 125 | { | ||
| 126 | ✗ | BoundaryTypes values; | |
| 127 | |||
| 128 | ✗ | if(globalPos[0] < eps_) | |
| 129 | values.setAllDirichlet(); | ||
| 130 | else | ||
| 131 | values.setAllNeumann(); | ||
| 132 | |||
| 133 | ✗ | return values; | |
| 134 | } | ||
| 135 | |||
| 136 | /*! | ||
| 137 | * \brief Evaluates the boundary conditions for a Dirichlet boundary segment. | ||
| 138 | * | ||
| 139 | * \param globalPos The position for which the bc type should be evaluated | ||
| 140 | */ | ||
| 141 | ✗ | PrimaryVariables dirichletAtPos(const GlobalPosition &globalPos) const | |
| 142 | { | ||
| 143 | 1344 | PrimaryVariables values = initial_(globalPos); | |
| 144 | |||
| 145 | // condition for the N2 molefraction at left boundary | ||
| 146 |
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672 | if (globalPos[0] < eps_ ) |
| 147 | { | ||
| 148 | 1344 | values[N2Idx] = 2.0e-5; | |
| 149 | } | ||
| 150 | |||
| 151 | ✗ | return values; | |
| 152 | } | ||
| 153 | |||
| 154 | /*! | ||
| 155 | * \brief Evaluates the boundary conditions for a neumann | ||
| 156 | * boundary segment (implementation for the box scheme). | ||
| 157 | * | ||
| 158 | * This is the method for the case where the Neumann condition is | ||
| 159 | * potentially solution dependent and requires some quantities that | ||
| 160 | * are specific to the fully-implicit method. | ||
| 161 | * | ||
| 162 | * \param element The finite element | ||
| 163 | * \param fvGeometry The finite-volume geometry | ||
| 164 | * \param elemVolVars All volume variables for the element | ||
| 165 | * \param elemFluxVarsCache Flux variables caches for all faces in stencil | ||
| 166 | * \param scvf The sub-control volume face | ||
| 167 | * | ||
| 168 | * For this method, the \a values parameter stores the flux | ||
| 169 | * in normal direction of each phase. Negative values mean influx. | ||
| 170 | * E.g. for the mass balance that would be the mass flux in \f$ [ kg / (m^2 \cdot s)] \f$. | ||
| 171 | */ | ||
| 172 | template<bool useBox = isBox, std::enable_if_t<useBox, int> = 0> | ||
| 173 | 16810 | NumEqVector neumann(const Element& element, | |
| 174 | const FVElementGeometry& fvGeometry, | ||
| 175 | const ElementVolumeVariables& elemVolVars, | ||
| 176 | const ElementFluxVariablesCache& elemFluxVarsCache, | ||
| 177 | const SubControlVolumeFace& scvf) const | ||
| 178 | { | ||
| 179 | // no-flow everywhere except at the right boundary | ||
| 180 | 16810 | NumEqVector values(0.0); | |
| 181 |
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50430 | const auto xMax = this->gridGeometry().bBoxMax()[0]; |
| 182 |
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16810 | const auto& ipGlobal = scvf.ipGlobal(); |
| 183 |
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33620 | if (ipGlobal[0] < xMax - eps_) |
| 184 | 15990 | return values; | |
| 185 | |||
| 186 | // set a fixed pressure on the right side of the domain | ||
| 187 | static const Scalar dirichletPressure = 1e5; | ||
| 188 |
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1640 | const auto& volVars = elemVolVars[scvf.insideScvIdx()]; |
| 189 |
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820 | const auto& fluxVarsCache = elemFluxVarsCache[scvf]; |
| 190 | |||
| 191 | // if specified in the input file, use a Nitsche type boundary condition for the box model. | ||
| 192 |
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820 | if (useNitscheTypeBc_) |
| 193 | { | ||
| 194 | 1640 | values[contiH2OEqIdx] = (volVars.pressure() - dirichletPressure)*1e7; | |
| 195 | 2460 | values[contiN2EqIdx] = values[contiH2OEqIdx] * (useMoles ? volVars.moleFraction(0, N2Idx) | |
| 196 | : volVars.massFraction(0, N2Idx)); | ||
| 197 | 820 | return values; | |
| 198 | } | ||
| 199 | |||
| 200 | // evaluate the pressure gradient | ||
| 201 | ✗ | GlobalPosition gradP(0.0); | |
| 202 | ✗ | for (const auto& scv : scvs(fvGeometry)) | |
| 203 | { | ||
| 204 | ✗ | const auto xIp = scv.dofPosition()[0]; | |
| 205 | ✗ | auto tmp = fluxVarsCache.gradN(scv.localDofIndex()); | |
| 206 | ✗ | tmp *= xIp > xMax - eps_ ? dirichletPressure | |
| 207 | ✗ | : elemVolVars[scv].pressure(); | |
| 208 | ✗ | gradP += tmp; | |
| 209 | } | ||
| 210 | |||
| 211 | // compute flux | ||
| 212 | ✗ | auto phaseFlux = vtmv(scvf.unitOuterNormal(), volVars.permeability(), gradP); | |
| 213 | ✗ | phaseFlux *= useMoles ? volVars.molarDensity() : volVars.density(); | |
| 214 | ✗ | phaseFlux *= volVars.mobility(); | |
| 215 | |||
| 216 | // set Neumann bc values | ||
| 217 | ✗ | values[contiH2OEqIdx] = phaseFlux; | |
| 218 | // emulate an outflow condition for the component transport on the right side | ||
| 219 | ✗ | values[contiN2EqIdx] = phaseFlux * ( useMoles ? volVars.moleFraction(0, N2Idx) : volVars.massFraction(0, N2Idx) ); | |
| 220 | |||
| 221 | ✗ | return values; | |
| 222 | } | ||
| 223 | |||
| 224 | /*! | ||
| 225 | * \brief Evaluates the boundary conditions for a neumann | ||
| 226 | * boundary segment (implementation for the tpfa scheme). | ||
| 227 | */ | ||
| 228 | template<bool useBox = isBox, std::enable_if_t<!useBox, int> = 0> | ||
| 229 | 14544 | NumEqVector neumann(const Element& element, | |
| 230 | const FVElementGeometry& fvGeometry, | ||
| 231 | const ElementVolumeVariables& elemVolVars, | ||
| 232 | const ElementFluxVariablesCache& elemFluxVarsCache, | ||
| 233 | const SubControlVolumeFace& scvf) const | ||
| 234 | { | ||
| 235 | // no-flow everywhere except at the right boundary | ||
| 236 | 14544 | NumEqVector values(0.0); | |
| 237 |
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43632 | const auto xMax = this->gridGeometry().bBoxMax()[0]; |
| 238 |
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14544 | const auto& ipGlobal = scvf.ipGlobal(); |
| 239 |
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29088 | if (ipGlobal[0] < xMax - eps_) |
| 240 | 13944 | return values; | |
| 241 | |||
| 242 | // set a fixed pressure on the right side of the domain | ||
| 243 | static const Scalar dirichletPressure = 1e5; | ||
| 244 | 764 | const auto& volVars = elemVolVars[scvf.insideScvIdx()]; | |
| 245 | |||
| 246 | 1200 | auto d = ipGlobal - element.geometry().center(); | |
| 247 | 600 | d /= d.two_norm2(); | |
| 248 | |||
| 249 | 600 | auto upwindTerm = useMoles ? volVars.molarDensity() : volVars.density(); | |
| 250 | 600 | upwindTerm *= volVars.mobility(); | |
| 251 | |||
| 252 | 1200 | const auto tij = vtmv(scvf.unitOuterNormal(), volVars.permeability(), d); | |
| 253 | 600 | const auto phaseFlux = -1.0*upwindTerm*tij*(dirichletPressure - volVars.pressure()); | |
| 254 | |||
| 255 | // set Neumann bc values | ||
| 256 | 600 | values[contiH2OEqIdx] = phaseFlux; | |
| 257 | // emulate an outflow condition for the component transport on the right side | ||
| 258 | 1200 | values[contiN2EqIdx] = phaseFlux * (useMoles ? volVars.moleFraction(0, N2Idx) : volVars.massFraction(0, N2Idx)); | |
| 259 | |||
| 260 | 600 | return values; | |
| 261 | } | ||
| 262 | |||
| 263 | // \} | ||
| 264 | |||
| 265 | /*! | ||
| 266 | * \name Volume terms | ||
| 267 | */ | ||
| 268 | // \{ | ||
| 269 | |||
| 270 | /*! | ||
| 271 | * \brief Evaluates the source term for all phases within a given | ||
| 272 | * sub-control volume. | ||
| 273 | * | ||
| 274 | * For this method, the \a priVars parameter stores the rate mass | ||
| 275 | * of a component is generated or annihilated per volume | ||
| 276 | * unit. Positive values mean that mass is created, negative ones | ||
| 277 | * mean that it vanishes. | ||
| 278 | * | ||
| 279 | * The units must be according to either using mole or mass fractions (mole/(m^3*s) or kg/(m^3*s)). | ||
| 280 | */ | ||
| 281 | ✗ | NumEqVector sourceAtPos(const GlobalPosition &globalPos) const | |
| 282 | 77120 | { return NumEqVector(0.0); } | |
| 283 | |||
| 284 | /*! | ||
| 285 | * \brief Evaluates the initial value for a control volume. | ||
| 286 | * | ||
| 287 | * \param globalPos The position for which the initial condition should be evaluated | ||
| 288 | * | ||
| 289 | * For this method, the \a values parameter stores primary | ||
| 290 | * variables. | ||
| 291 | */ | ||
| 292 | ✗ | PrimaryVariables initialAtPos(const GlobalPosition &globalPos) const | |
| 293 | 160 | { return initial_(globalPos); } | |
| 294 | |||
| 295 | // \} | ||
| 296 | |||
| 297 | private: | ||
| 298 | // the internal method for the initial condition | ||
| 299 | ✗ | PrimaryVariables initial_(const GlobalPosition &globalPos) const | |
| 300 | { | ||
| 301 | 752 | PrimaryVariables priVars; | |
| 302 |
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1504 | priVars[pressureIdx] = 2e5 - 1e5*globalPos[0]; // initial condition for the pressure |
| 303 |
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1504 | priVars[N2Idx] = 0.0; // initial condition for the N2 molefraction |
| 304 | ✗ | return priVars; | |
| 305 | } | ||
| 306 | static constexpr Scalar eps_ = 1e-6; | ||
| 307 | bool useNitscheTypeBc_; | ||
| 308 | }; | ||
| 309 | |||
| 310 | } // end namespace Dumux | ||
| 311 | |||
| 312 | #endif | ||
| 313 |