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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_PROPERTIES_HH | ||
| 15 | #define DUMUX_1P3C_TEST_PROBLEM_PROPERTIES_HH | ||
| 16 | |||
| 17 | #if HAVE_DUNE_UGGRID | ||
| 18 | #include <dune/grid/uggrid.hh> | ||
| 19 | #endif | ||
| 20 | #include <dune/grid/yaspgrid.hh> | ||
| 21 | |||
| 22 | #include <dumux/discretization/cctpfa.hh> | ||
| 23 | #include <dumux/discretization/box.hh> | ||
| 24 | #include <dumux/discretization/evalsolution.hh> | ||
| 25 | #include <dumux/discretization/evalgradients.hh> | ||
| 26 | #include <dumux/porousmediumflow/1pnc/model.hh> | ||
| 27 | |||
| 28 | #include <dumux/material/idealgas.hh> | ||
| 29 | #include <dumux/material/fluidsystems/base.hh> | ||
| 30 | |||
| 31 | #include "problem.hh" | ||
| 32 | #include "../1p2c/spatialparams.hh" | ||
| 33 | |||
| 34 | |||
| 35 | #include <dumux/flux/maxwellstefanslaw.hh> | ||
| 36 | |||
| 37 | namespace Dumux::Properties { | ||
| 38 | |||
| 39 | // Create new type tags | ||
| 40 | namespace TTag { | ||
| 41 | struct MaxwellStefanOnePThreeCTest { using InheritsFrom = std::tuple<OnePNC>; }; | ||
| 42 | struct MaxwellStefanOnePThreeCTestBox { using InheritsFrom = std::tuple<MaxwellStefanOnePThreeCTest, BoxModel>; }; | ||
| 43 | struct MaxwellStefanOnePThreeCTestCCTpfa { using InheritsFrom = std::tuple<MaxwellStefanOnePThreeCTest, CCTpfaModel>; }; | ||
| 44 | } // end namespace TTag | ||
| 45 | |||
| 46 | // Set the grid type | ||
| 47 | #if HAVE_DUNE_UGGRID | ||
| 48 | template<class TypeTag> | ||
| 49 | struct Grid<TypeTag, TTag::MaxwellStefanOnePThreeCTest> { using type = Dune::UGGrid<2>; }; | ||
| 50 | #else | ||
| 51 | template<class TypeTag> | ||
| 52 | struct Grid<TypeTag, TTag::MaxwellStefanOnePThreeCTest> { using type = Dune::YaspGrid<2>; }; | ||
| 53 | #endif | ||
| 54 | |||
| 55 | // Set the problem property | ||
| 56 | template<class TypeTag> | ||
| 57 | struct Problem<TypeTag, TTag::MaxwellStefanOnePThreeCTest> { using type = MaxwellStefanOnePThreeCTestProblem<TypeTag>; }; | ||
| 58 | |||
| 59 | /*! | ||
| 60 | * \ingroup OnePNCTests | ||
| 61 | * \brief A simple fluid system with three components for testing the multi-component diffusion with the Maxwell-Stefan formulation. | ||
| 62 | */ | ||
| 63 | template<class TypeTag> | ||
| 64 | class H2N2CO2FluidSystem | ||
| 65 | : public FluidSystems::Base<GetPropType<TypeTag, Properties::Scalar>, H2N2CO2FluidSystem<TypeTag>> | ||
| 66 | |||
| 67 | { | ||
| 68 | using Scalar = GetPropType<TypeTag, Properties::Scalar>; | ||
| 69 | using ThisType = H2N2CO2FluidSystem<TypeTag>; | ||
| 70 | using Base = FluidSystems::Base<Scalar, ThisType>; | ||
| 71 | using IdealGas = Dumux::IdealGas<Scalar>; | ||
| 72 | |||
| 73 | public: | ||
| 74 | //! The number of phases | ||
| 75 | static constexpr int numPhases = 1; | ||
| 76 | static constexpr int numComponents = 3; | ||
| 77 | |||
| 78 | static constexpr int H2Idx = 0; //first major component | ||
| 79 | static constexpr int N2Idx = 1; //second major component | ||
| 80 | static constexpr int CO2Idx = 2; //secondary component | ||
| 81 | |||
| 82 | //! Human readable component name (index compIdx) (for vtk output) | ||
| 83 | 12 | static std::string componentName(int compIdx) | |
| 84 |
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12 | { return "MaxwellStefan_" + std::to_string(compIdx); } |
| 85 | |||
| 86 | //! Human readable phase name (index phaseIdx) (for velocity vtk output) | ||
| 87 | ✗ | static std::string phaseName(int phaseIdx = 0) | |
| 88 |
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48 | { return "Gas"; } |
| 89 | |||
| 90 | //! Molar mass in kg/mol of the component with index compIdx | ||
| 91 |
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18329740 | static Scalar molarMass(unsigned int compIdx) |
| 92 | { | ||
| 93 | switch (compIdx) | ||
| 94 | { | ||
| 95 | case H2Idx: return 0.002; | ||
| 96 | case N2Idx: return 0.028; | ||
| 97 | case CO2Idx:return 0.044; | ||
| 98 | } | ||
| 99 | ✗ | DUNE_THROW(Dune::InvalidStateException, "Invalid component index " << compIdx);; | |
| 100 | } | ||
| 101 | |||
| 102 | using Base::binaryDiffusionCoefficient; | ||
| 103 | /*! | ||
| 104 | * \brief Given a phase's composition, temperature and pressure, | ||
| 105 | * returns the binary diffusion coefficient \f$\mathrm{[m^2/s]}\f$ for components | ||
| 106 | * \f$i\f$ and \f$j\f$ in this phase. | ||
| 107 | * | ||
| 108 | * \param fluidState An arbitrary fluid state | ||
| 109 | * \param phaseIdx The index of the fluid phase to consider | ||
| 110 | * \param compIIdx The index of the first component to consider | ||
| 111 | * \param compJIdx The index of the second component to consider | ||
| 112 | */ | ||
| 113 | template <class FluidState> | ||
| 114 | 1170912 | static Scalar binaryDiffusionCoefficient(const FluidState &fluidState, | |
| 115 | int phaseIdx, | ||
| 116 | int compIIdx, | ||
| 117 | int compJIdx) | ||
| 118 | { | ||
| 119 |
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1170912 | if (compIIdx > compJIdx) |
| 120 | { | ||
| 121 | using std::swap; | ||
| 122 | ✗ | swap(compIIdx, compJIdx); | |
| 123 | } | ||
| 124 | |||
| 125 |
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1170912 | if (compIIdx == H2Idx && compJIdx == N2Idx) |
| 126 | return 83.3e-6; | ||
| 127 |
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780608 | if (compIIdx == H2Idx && compJIdx == CO2Idx) |
| 128 | return 68.0e-6; | ||
| 129 |
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390304 | if (compIIdx == N2Idx && compJIdx == CO2Idx) |
| 130 | return 16.8e-6; | ||
| 131 | ✗ | DUNE_THROW(Dune::InvalidStateException, | |
| 132 | "Binary diffusion coefficient of components " | ||
| 133 | << compIIdx << " and " << compJIdx << " is undefined!\n"); | ||
| 134 | } | ||
| 135 | using Base::density; | ||
| 136 | /*! | ||
| 137 | * \brief Given a phase's composition, temperature, pressure, and | ||
| 138 | * the partial pressures of all components, returns its | ||
| 139 | * density \f$\mathrm{[kg/m^3]}\f$. | ||
| 140 | * | ||
| 141 | * \param phaseIdx index of the phase | ||
| 142 | * \param fluidState the fluid state | ||
| 143 | */ | ||
| 144 | template <class FluidState> | ||
| 145 | static Scalar density(const FluidState &fluidState, | ||
| 146 | const int phaseIdx) | ||
| 147 | { | ||
| 148 | 780608 | Scalar T = fluidState.temperature(phaseIdx); | |
| 149 | 780608 | Scalar p = fluidState.pressure(phaseIdx); | |
| 150 | 1170912 | return IdealGas::molarDensity(T, p) * fluidState.averageMolarMass(0); | |
| 151 | } | ||
| 152 | |||
| 153 | using Base::viscosity; | ||
| 154 | /*! | ||
| 155 | * \brief Calculates the dynamic viscosity of a fluid phase \f$\mathrm{[Pa*s]}\f$ | ||
| 156 | * | ||
| 157 | * \param fluidState An arbitrary fluid state | ||
| 158 | * \param phaseIdx The index of the fluid phase to consider | ||
| 159 | */ | ||
| 160 | template <class FluidState> | ||
| 161 | ✗ | static Scalar viscosity(const FluidState &fluidState, | |
| 162 | int phaseIdx) | ||
| 163 | { | ||
| 164 | ✗ | return 1e-6; | |
| 165 | } | ||
| 166 | |||
| 167 | using Base::molarDensity; | ||
| 168 | /*! | ||
| 169 | * \brief The molar density \f$\rho_{mol,\alpha}\f$ | ||
| 170 | * of a fluid phase \f$\alpha\f$ in \f$\mathrm{[mol/m^3]}\f$ | ||
| 171 | * | ||
| 172 | * The molar density for the simple relation is defined by the | ||
| 173 | * mass density \f$\rho_\alpha\f$ and the molar mass of the main component \f$M_\kappa\f$: | ||
| 174 | * | ||
| 175 | * \f[\rho_{mol,\alpha} = \frac{\rho_\alpha}{M_\kappa} \;.\f] | ||
| 176 | */ | ||
| 177 | template <class FluidState> | ||
| 178 | static Scalar molarDensity(const FluidState &fluidState, int phaseIdx) | ||
| 179 | { | ||
| 180 | 780608 | Scalar T = fluidState.temperature(phaseIdx); | |
| 181 | 780608 | Scalar p = fluidState.pressure(phaseIdx); | |
| 182 | 390304 | return IdealGas::molarDensity(T,p); | |
| 183 | } | ||
| 184 | }; | ||
| 185 | |||
| 186 | // Set fluid configuration | ||
| 187 | template<class TypeTag> | ||
| 188 | struct FluidSystem<TypeTag, TTag::MaxwellStefanOnePThreeCTest> | ||
| 189 | {using type = H2N2CO2FluidSystem<TypeTag>; }; | ||
| 190 | |||
| 191 | // Set the spatial parameters | ||
| 192 | template<class TypeTag> | ||
| 193 | struct SpatialParams<TypeTag, TTag::MaxwellStefanOnePThreeCTest> | ||
| 194 | { | ||
| 195 | using GridGeometry = GetPropType<TypeTag, Properties::GridGeometry>; | ||
| 196 | using Scalar = GetPropType<TypeTag, Properties::Scalar>; | ||
| 197 | using type = OnePNCTestSpatialParams<GridGeometry, Scalar>; | ||
| 198 | }; | ||
| 199 | |||
| 200 | // Define whether mole(true) or mass (false) fractions are used | ||
| 201 | template<class TypeTag> | ||
| 202 | struct UseMoles<TypeTag, TTag::MaxwellStefanOnePThreeCTest> { static constexpr bool value = true; }; | ||
| 203 | |||
| 204 | //! Here we set FicksLaw or MaxwellStefansLaw | ||
| 205 | template<class TypeTag> | ||
| 206 | struct MolecularDiffusionType<TypeTag, TTag::MaxwellStefanOnePThreeCTest> { using type = MaxwellStefansLaw<TypeTag>; }; | ||
| 207 | |||
| 208 | } // end namespace Properties | ||
| 209 | |||
| 210 | #endif | ||
| 211 |