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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 ConstraintSolvers | ||
| 10 | * \brief Computes all quantities of a generic fluid state if a | ||
| 11 | * reference phase has been specified. | ||
| 12 | * | ||
| 13 | * This makes it is possible to specify just one phase and let the | ||
| 14 | * remaining ones be calculated by the constraint solver. This | ||
| 15 | * constraint solver assumes thermodynamic equilibrium | ||
| 16 | */ | ||
| 17 | #ifndef DUMUX_COMPUTE_FROM_REFERENCE_PHASE_HH | ||
| 18 | #define DUMUX_COMPUTE_FROM_REFERENCE_PHASE_HH | ||
| 19 | |||
| 20 | #include <dumux/material/constraintsolvers/compositionfromfugacities.hh> | ||
| 21 | |||
| 22 | #include <dune/common/fvector.hh> | ||
| 23 | #include <dune/common/fmatrix.hh> | ||
| 24 | |||
| 25 | #include <dumux/common/exceptions.hh> | ||
| 26 | |||
| 27 | namespace Dumux { | ||
| 28 | |||
| 29 | /*! | ||
| 30 | * \ingroup ConstraintSolvers | ||
| 31 | * \brief Computes all quantities of a generic fluid state if a | ||
| 32 | * reference phase has been specified. | ||
| 33 | * | ||
| 34 | * This makes it is possible to specify just one phase and let the | ||
| 35 | * remaining ones be calculated by the constraint solver. This | ||
| 36 | * constraint solver assumes thermodynamic equilibrium. It assumes the | ||
| 37 | * following quantities to be set: | ||
| 38 | * | ||
| 39 | * - composition (mole+mass fractions) of the *reference* phase \f$x^\kappa_\beta\f$ | ||
| 40 | * - temperature of the *reference* phase \f$T_\beta\f$ | ||
| 41 | * - saturations of *all* phases \f$S_\alpha\f$, \f$S_\beta\f$ | ||
| 42 | * - pressures of *all* phases \f$p_\alpha\f$, \f$p_\beta\f$ | ||
| 43 | * | ||
| 44 | * \f$ f^\kappa_\beta = f^\kappa_\alpha = \Phi^\kappa_\alpha(\{x^\lambda_\alpha \}, T_\alpha, p_\alpha) p_\alpha x^\kappa_\alpha\; \f$, | ||
| 45 | * | ||
| 46 | * \f$ p_\alpha = p_\beta + p_{c\beta\alpha}\; \f$, | ||
| 47 | * | ||
| 48 | * after calling the solve() method the following quantities are | ||
| 49 | * calculated in addition: | ||
| 50 | * | ||
| 51 | * - temperature of *all* phases \f$T_\alpha\f$, \f$T_\beta\f$ | ||
| 52 | * - density, molar density, molar volume of *all* phases | ||
| 53 | * \f$\rho_\alpha\f$, \f$\rho_\beta\f$, \f$\rho_{mol, \alpha}\f$, \f$\rho_{mol, \beta}\f$, | ||
| 54 | * \f$V_{mol, \alpha}\f$, \f$V_{mol, \beta}\f$ | ||
| 55 | * - composition in mole and mass fractions and molarities of *all* phases | ||
| 56 | * \f$x^\kappa_\alpha\f$, \f$x^\kappa_\beta\f$, \f$X^\kappa_\alpha\f$, \f$X^\kappa_\beta\f$, | ||
| 57 | * \f$c^\kappa_\alpha\f$, \f$c^\kappa_\beta\f$ | ||
| 58 | * - mean molar masses of *all* phases \f$M_\alpha\f$, \f$M_\beta\f$ | ||
| 59 | * - fugacity coefficients of *all* components in *all* phases | ||
| 60 | * \f$\Phi^\kappa_\alpha\f$, \f$\Phi^\kappa_\beta\f$ | ||
| 61 | */ | ||
| 62 | template <class Scalar, class FluidSystem> | ||
| 63 | class ComputeFromReferencePhase | ||
| 64 | { | ||
| 65 | enum { numPhases = FluidSystem::numPhases }; | ||
| 66 | enum { numComponents = FluidSystem::numComponents }; | ||
| 67 | using CompositionFromFugacities = Dumux::CompositionFromFugacities<Scalar, FluidSystem>; | ||
| 68 | using ComponentVector = Dune::FieldVector<Scalar, numComponents>; | ||
| 69 | |||
| 70 | public: | ||
| 71 | /*! | ||
| 72 | * \brief Computes all quantities of a generic fluid state if a | ||
| 73 | * reference phase has been specified. | ||
| 74 | * | ||
| 75 | * This makes it is possible to specify just one phase and let the | ||
| 76 | * remaining ones be calculated by the constraint solver. This | ||
| 77 | * constraint solver assumes thermodynamic equilibrium. It assumes the | ||
| 78 | * following quantities to be set: | ||
| 79 | * | ||
| 80 | * - composition (mole+mass fractions) of the *reference* phase | ||
| 81 | * - temperature of the *all* phases | ||
| 82 | * - saturations of *all* phases | ||
| 83 | * - pressures of *all* phases | ||
| 84 | * | ||
| 85 | * after calling the solve() method the following quantities are | ||
| 86 | * calculated in addition: | ||
| 87 | * | ||
| 88 | * - temperature of *all* phases | ||
| 89 | * - density, molar density, molar volume of *all* phases | ||
| 90 | * - composition in mole and mass fractions and molaries of *all* phases | ||
| 91 | * - mean molar masses of *all* phases | ||
| 92 | * - fugacity coefficients of *all* components in *all* phases | ||
| 93 | * | ||
| 94 | * \param fluidState Thermodynamic state of the fluids | ||
| 95 | * \param paramCache Container for cache parameters | ||
| 96 | * \param refPhaseIdx The phase index of the reference phase | ||
| 97 | */ | ||
| 98 | template <class FluidState, class ParameterCache> | ||
| 99 | 15777215 | static void solve(FluidState &fluidState, | |
| 100 | ParameterCache ¶mCache, | ||
| 101 | int refPhaseIdx) | ||
| 102 | { | ||
| 103 | 15777215 | ComponentVector fugVec; | |
| 104 | |||
| 105 | // compute the density and enthalpy of the | ||
| 106 | // reference phase | ||
| 107 | 15777215 | paramCache.updatePhase(fluidState, refPhaseIdx); | |
| 108 |
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15777215 | fluidState.setDensity(refPhaseIdx, |
| 109 | FluidSystem::density(fluidState, | ||
| 110 | paramCache, | ||
| 111 | refPhaseIdx)); | ||
| 112 | 15777215 | fluidState.setMolarDensity(refPhaseIdx, | |
| 113 | FluidSystem::molarDensity(fluidState, | ||
| 114 | paramCache, | ||
| 115 | refPhaseIdx)); | ||
| 116 | |||
| 117 | // compute the fugacities of all components in the reference phase | ||
| 118 |
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66063874 | for (int compIdx = 0; compIdx < numComponents; ++compIdx) |
| 119 | { | ||
| 120 |
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50286659 | fluidState.setFugacityCoefficient(refPhaseIdx, |
| 121 | compIdx, | ||
| 122 | FluidSystem::fugacityCoefficient(fluidState, | ||
| 123 | paramCache, | ||
| 124 | refPhaseIdx, | ||
| 125 | compIdx)); | ||
| 126 | 150859977 | fugVec[compIdx] = fluidState.fugacity(refPhaseIdx, compIdx); | |
| 127 | } | ||
| 128 | |||
| 129 | // compute all quantities for the non-reference phases | ||
| 130 |
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47331645 | for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) |
| 131 | { | ||
| 132 |
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31554430 | if (phaseIdx == refPhaseIdx) |
| 133 | continue; // reference phase is already calculated | ||
| 134 | |||
| 135 |
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15777215 | CompositionFromFugacities::guessInitial(fluidState, paramCache, phaseIdx, fugVec); |
| 136 | 15777215 | CompositionFromFugacities::solve(fluidState, paramCache, phaseIdx, fugVec); | |
| 137 | } | ||
| 138 | 15777215 | } | |
| 139 | }; | ||
| 140 | |||
| 141 | } // end namespace Dumux | ||
| 142 | |||
| 143 | #endif | ||
| 144 |