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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 a 1p3c problem: | ||
| 11 | * Component transport of N2, CO2 and H2 using the Maxwell-Stefan diffusion law. | ||
| 12 | */ | ||
| 13 | |||
| 14 | #ifndef DUMUX_1P3C_TEST_PROBLEM_HH | ||
| 15 | #define DUMUX_1P3C_TEST_PROBLEM_HH | ||
| 16 | #include <dumux/common/properties.hh> | ||
| 17 | #include <dumux/common/parameters.hh> | ||
| 18 | |||
| 19 | #include <dumux/common/boundarytypes.hh> | ||
| 20 | #include <dumux/common/numeqvector.hh> | ||
| 21 | #include <dumux/porousmediumflow/problem.hh> | ||
| 22 | |||
| 23 | #include <dumux/io/gnuplotinterface.hh> | ||
| 24 | namespace Dumux { | ||
| 25 | |||
| 26 | |||
| 27 | /*! | ||
| 28 | * \ingroup OnePNCTests | ||
| 29 | * \brief Definition of a problem for a 1p3c problem: | ||
| 30 | * Component transport of N2, CO2 and H2. | ||
| 31 | |||
| 32 | * The domain is closed on all sides. H2 constitutes the bulk gas phase. | ||
| 33 | * Initially, there is N2 and CO2 in the left half of the domain, | ||
| 34 | * while only N2 is present in the right half of the domain. | ||
| 35 | * Over time, the concentrations will equilibrate. | ||
| 36 | * | ||
| 37 | * This problem uses the \ref OnePNCModel model and the Maxwell-Stefan diffusion law. | ||
| 38 | * | ||
| 39 | */ | ||
| 40 | template <class TypeTag> | ||
| 41 | class MaxwellStefanOnePThreeCTestProblem : public PorousMediumFlowProblem<TypeTag> | ||
| 42 | { | ||
| 43 | using ParentType = PorousMediumFlowProblem<TypeTag>; | ||
| 44 | |||
| 45 | using Scalar = GetPropType<TypeTag, Properties::Scalar>; | ||
| 46 | using Indices = typename GetPropType<TypeTag, Properties::ModelTraits>::Indices; | ||
| 47 | using GridView = typename GetPropType<TypeTag, Properties::GridGeometry>::GridView; | ||
| 48 | using BoundaryTypes = Dumux::BoundaryTypes<GetPropType<TypeTag, Properties::ModelTraits>::numEq()>; | ||
| 49 | using PrimaryVariables = GetPropType<TypeTag, Properties::PrimaryVariables>; | ||
| 50 | using NumEqVector = Dumux::NumEqVector<PrimaryVariables>; | ||
| 51 | using FluidSystem = GetPropType<TypeTag, Properties::FluidSystem>; | ||
| 52 | using GridGeometry = GetPropType<TypeTag, Properties::GridGeometry>; | ||
| 53 | using SolutionVector = GetPropType<TypeTag, Properties::SolutionVector>; | ||
| 54 | using VolumeVariables = GetPropType<TypeTag, Properties::VolumeVariables>; | ||
| 55 | |||
| 56 | //! property that defines whether mole or mass fractions are used | ||
| 57 | static constexpr bool useMoles = getPropValue<TypeTag, Properties::UseMoles>(); | ||
| 58 | |||
| 59 | using Element = typename GridGeometry::GridView::template Codim<0>::Entity; | ||
| 60 | using GlobalPosition = typename Element::Geometry::GlobalCoordinate; | ||
| 61 | |||
| 62 | public: | ||
| 63 | 2 | MaxwellStefanOnePThreeCTestProblem(std::shared_ptr<const GridGeometry> gridGeometry) | |
| 64 |
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6 | : ParentType(gridGeometry) |
| 65 | { | ||
| 66 |
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2 | name_ = getParam<std::string>("Problem.Name"); |
| 67 | |||
| 68 | // stating in the terminal whether mole or mass fractions are used | ||
| 69 | if (useMoles) | ||
| 70 |
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4 | std::cout<<"problem uses mole fractions" << '\n'; |
| 71 | else | ||
| 72 | std::cout<<"problem uses mass fractions" << '\n'; | ||
| 73 | |||
| 74 | 2 | plotOutput_ = false; | |
| 75 | 2 | } | |
| 76 | |||
| 77 | /*! | ||
| 78 | * \name Problem parameters | ||
| 79 | */ | ||
| 80 | // \{ | ||
| 81 | |||
| 82 | /*! | ||
| 83 | * \brief The problem name. | ||
| 84 | * This is used as a prefix for files generated by the simulation. | ||
| 85 | */ | ||
| 86 | const std::string& name() const | ||
| 87 |
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2 | { return name_; } |
| 88 | |||
| 89 | //! Called after every time step | ||
| 90 | 292 | void plotComponentsOverTime(const SolutionVector& curSol, Scalar time) | |
| 91 | { | ||
| 92 |
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292 | if (plotOutput_) |
| 93 | { | ||
| 94 | ✗ | Scalar x_co2_left = 0.0; | |
| 95 | ✗ | Scalar x_n2_left = 0.0; | |
| 96 | ✗ | Scalar x_co2_right = 0.0; | |
| 97 | ✗ | Scalar x_n2_right = 0.0; | |
| 98 | ✗ | Scalar x_h2_left = 0.0; | |
| 99 | ✗ | Scalar x_h2_right = 0.0; | |
| 100 | ✗ | Scalar i = 0.0; | |
| 101 | ✗ | Scalar j = 0.0; | |
| 102 | ✗ | if (!(time < 0.0)) | |
| 103 | { | ||
| 104 | ✗ | auto fvGeometry = localView(this->gridGeometry()); | |
| 105 | ✗ | for (const auto& element : elements(this->gridGeometry().gridView())) | |
| 106 | { | ||
| 107 | ✗ | fvGeometry.bindElement(element); | |
| 108 | ✗ | const auto elemSol = elementSolution(element, curSol, this->gridGeometry()); | |
| 109 | |||
| 110 | ✗ | for (auto&& scv : scvs(fvGeometry)) | |
| 111 | { | ||
| 112 | ✗ | const auto& globalPos = scv.dofPosition(); | |
| 113 | ✗ | VolumeVariables volVars; | |
| 114 | ✗ | volVars.update(elemSol, *this, element, scv); | |
| 115 | |||
| 116 | ✗ | if (globalPos[0] < 0.5) | |
| 117 | { | ||
| 118 | ✗ | x_co2_left += volVars.moleFraction(0,2); | |
| 119 | |||
| 120 | ✗ | x_n2_left += volVars.moleFraction(0,1); | |
| 121 | ✗ | x_h2_left += volVars.moleFraction(0,0); | |
| 122 | ✗ | i +=1; | |
| 123 | } | ||
| 124 | else | ||
| 125 | { | ||
| 126 | ✗ | x_co2_right += volVars.moleFraction(0,2); | |
| 127 | ✗ | x_n2_right += volVars.moleFraction(0,1); | |
| 128 | ✗ | x_h2_right += volVars.moleFraction(0,0); | |
| 129 | ✗ | j +=1; | |
| 130 | } | ||
| 131 | } | ||
| 132 | } | ||
| 133 | ✗ | x_co2_left /= i; | |
| 134 | ✗ | x_n2_left /= i; | |
| 135 | ✗ | x_h2_left /= i; | |
| 136 | ✗ | x_co2_right /= j; | |
| 137 | ✗ | x_n2_right /= j; | |
| 138 | ✗ | x_h2_right /= j; | |
| 139 | |||
| 140 | // do a gnuplot | ||
| 141 | ✗ | x_.push_back(time); // in seconds | |
| 142 | ✗ | y_.push_back(x_n2_left); | |
| 143 | ✗ | y2_.push_back(x_n2_right); | |
| 144 | ✗ | y3_.push_back(x_co2_left); | |
| 145 | ✗ | y4_.push_back(x_co2_right); | |
| 146 | ✗ | y5_.push_back(x_h2_left); | |
| 147 | ✗ | y6_.push_back(x_h2_right); | |
| 148 | |||
| 149 | ✗ | gnuplot_.resetPlot(); | |
| 150 | ✗ | gnuplot_.setXRange(0, std::min(time, 72000.0)); | |
| 151 | ✗ | gnuplot_.setYRange(0.4, 0.6); | |
| 152 | ✗ | gnuplot_.setXlabel("time [s]"); | |
| 153 | ✗ | gnuplot_.setYlabel("mole fraction mol/mol"); | |
| 154 | ✗ | gnuplot_.addDataSetToPlot(x_, y_, "N2_left.dat", "w l t 'N_2 left'"); | |
| 155 | ✗ | gnuplot_.addDataSetToPlot(x_, y2_, "N2_right.dat", "w l t 'N_2 right'"); | |
| 156 | ✗ | gnuplot_.plot("mole_fraction_N2"); | |
| 157 | |||
| 158 | ✗ | gnuplot2_.resetPlot(); | |
| 159 | ✗ | gnuplot2_.setXRange(0, std::min(time, 72000.0)); | |
| 160 | ✗ | gnuplot2_.setYRange(0.0, 0.6); | |
| 161 | ✗ | gnuplot2_.setXlabel("time [s]"); | |
| 162 | ✗ | gnuplot2_.setYlabel("mole fraction mol/mol"); | |
| 163 | ✗ | gnuplot2_.addDataSetToPlot(x_, y3_, "CO2_left.dat", "w l t 'CO_2 left'"); | |
| 164 | ✗ | gnuplot2_.addDataSetToPlot(x_, y4_, "CO2_right.dat", "w l t 'CO_2 right"); | |
| 165 | ✗ | gnuplot2_.plot("mole_fraction_CO2"); | |
| 166 | |||
| 167 | ✗ | gnuplot3_.resetPlot(); | |
| 168 | ✗ | gnuplot3_.setXRange(0, std::min(time, 72000.0)); | |
| 169 | ✗ | gnuplot3_.setYRange(0.0, 0.6); | |
| 170 | ✗ | gnuplot3_.setXlabel("time [s]"); | |
| 171 | ✗ | gnuplot3_.setYlabel("mole fraction mol/mol"); | |
| 172 | ✗ | gnuplot3_.addDataSetToPlot(x_, y5_, "H2_left.dat", "w l t 'H_2 left'"); | |
| 173 | ✗ | gnuplot3_.addDataSetToPlot(x_, y6_, "H2_right.dat", "w l t 'H_2 right'"); | |
| 174 | ✗ | gnuplot3_.plot("mole_fraction_H2"); | |
| 175 | } | ||
| 176 | } | ||
| 177 | 292 | } | |
| 178 | |||
| 179 | // \} | ||
| 180 | |||
| 181 | /*! | ||
| 182 | * \name Boundary conditions | ||
| 183 | */ | ||
| 184 | // \{ | ||
| 185 | |||
| 186 | /*! | ||
| 187 | * \brief Specifies which kind of boundary condition should be | ||
| 188 | * used for which equation on a given boundary segment. | ||
| 189 | * | ||
| 190 | * \param globalPos The position for which the bc type should be evaluated | ||
| 191 | */ | ||
| 192 | ✗ | BoundaryTypes boundaryTypesAtPos(const GlobalPosition &globalPos) const | |
| 193 | { | ||
| 194 | 201586 | BoundaryTypes values; | |
| 195 |
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201586 | values.setAllNeumann(); |
| 196 | ✗ | return values; | |
| 197 | } | ||
| 198 | |||
| 199 | /*! | ||
| 200 | * \brief Evaluates the boundary conditions for a Neumann boundary segment. | ||
| 201 | * | ||
| 202 | * \param globalPos The position for which the bc type should be evaluated | ||
| 203 | */ | ||
| 204 | ✗ | NumEqVector neumannAtPos(const GlobalPosition& globalPos) const | |
| 205 |
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1807176 | { return NumEqVector(0.0); } |
| 206 | |||
| 207 | // \} | ||
| 208 | |||
| 209 | /*! | ||
| 210 | * \name Volume terms | ||
| 211 | */ | ||
| 212 | // \{ | ||
| 213 | |||
| 214 | /*! | ||
| 215 | * \brief Evaluates the initial value for a control volume. | ||
| 216 | * | ||
| 217 | * \param globalPos The position for which the initial condition should be evaluated | ||
| 218 | */ | ||
| 219 | ✗ | PrimaryVariables initialAtPos(const GlobalPosition &globalPos) const | |
| 220 | { | ||
| 221 | ✗ | PrimaryVariables initialValues(0.0); | |
| 222 | ✗ | if (globalPos[0] < 0.5) | |
| 223 | { | ||
| 224 | ✗ | initialValues[Indices::pressureIdx] = 1e5; | |
| 225 | ✗ | initialValues[FluidSystem::N2Idx] = 0.50086; | |
| 226 | ✗ | initialValues[FluidSystem::CO2Idx] = 0.49914; | |
| 227 | } | ||
| 228 | else | ||
| 229 | { | ||
| 230 | ✗ | initialValues[Indices::pressureIdx] = 1e5; | |
| 231 | ✗ | initialValues[FluidSystem::N2Idx] = 0.49879; | |
| 232 | ✗ | initialValues[FluidSystem::CO2Idx] = 0.0; | |
| 233 | } | ||
| 234 | ✗ | return initialValues; | |
| 235 | } | ||
| 236 | |||
| 237 | // \} | ||
| 238 | |||
| 239 | private: | ||
| 240 | std::string name_; | ||
| 241 | |||
| 242 | Dumux::GnuplotInterface<Scalar> gnuplot_; | ||
| 243 | Dumux::GnuplotInterface<Scalar> gnuplot2_; | ||
| 244 | Dumux::GnuplotInterface<Scalar> gnuplot3_; | ||
| 245 | |||
| 246 | std::vector<Scalar> x_; | ||
| 247 | std::vector<Scalar> y_; | ||
| 248 | std::vector<Scalar> y2_; | ||
| 249 | std::vector<Scalar> y3_; | ||
| 250 | std::vector<Scalar> y4_; | ||
| 251 | std::vector<Scalar> y5_; | ||
| 252 | std::vector<Scalar> y6_; | ||
| 253 | |||
| 254 | bool plotOutput_; | ||
| 255 | }; | ||
| 256 | |||
| 257 | } // end namespace Dumux | ||
| 258 | |||
| 259 | #endif | ||
| 260 |