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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 FluidStates | ||
| 10 | * \brief Represents all relevant thermodynamic quantities of a | ||
| 11 | * multi-phase fluid system assuming immiscibility and | ||
| 12 | * thermodynamic equilibrium. | ||
| 13 | */ | ||
| 14 | #ifndef DUMUX_IMMISCIBLE_FLUID_STATE_HH | ||
| 15 | #define DUMUX_IMMISCIBLE_FLUID_STATE_HH | ||
| 16 | |||
| 17 | #include <limits> | ||
| 18 | #include <type_traits> | ||
| 19 | |||
| 20 | namespace Dumux { | ||
| 21 | |||
| 22 | /*! | ||
| 23 | * \ingroup FluidStates | ||
| 24 | * \brief Represents all relevant thermodynamic quantities of a | ||
| 25 | * multi-phase fluid system assuming immiscibility and | ||
| 26 | * thermodynamic equilibrium. | ||
| 27 | */ | ||
| 28 | template <class ScalarType, class FluidSystem> | ||
| 29 | class ImmiscibleFluidState | ||
| 30 | { | ||
| 31 | public: | ||
| 32 | static constexpr int numPhases = FluidSystem::numPhases; | ||
| 33 | static constexpr int numComponents = FluidSystem::numComponents; | ||
| 34 | |||
| 35 | //! export the scalar type | ||
| 36 | using Scalar = ScalarType; | ||
| 37 | |||
| 38 | //! default constructor | ||
| 39 |
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137890216 | ImmiscibleFluidState() = default; |
| 40 | |||
| 41 | //! copy constructor from arbitrary fluid state | ||
| 42 | template <class FluidState, typename std::enable_if_t<!std::is_same<FluidState, ImmiscibleFluidState>::value, int> = 0> | ||
| 43 | ImmiscibleFluidState(const FluidState &fs) | ||
| 44 | { assign(fs); } | ||
| 45 | |||
| 46 | // copy and move constructor / assignment operator | ||
| 47 | ImmiscibleFluidState(const ImmiscibleFluidState &fs) = default; | ||
| 48 | ImmiscibleFluidState(ImmiscibleFluidState &&fs) = default; | ||
| 49 | ImmiscibleFluidState& operator=(const ImmiscibleFluidState &fs) = default; | ||
| 50 | ImmiscibleFluidState& operator=(ImmiscibleFluidState &&fs) = default; | ||
| 51 | |||
| 52 | /***************************************************** | ||
| 53 | * Generic access to fluid properties (No assumptions | ||
| 54 | * on thermodynamic equilibrium required) | ||
| 55 | *****************************************************/ | ||
| 56 | |||
| 57 | /*! | ||
| 58 | * \brief Returns the index of the most wetting phase in the | ||
| 59 | * fluid-solid configuration (for porous medium systems). | ||
| 60 | */ | ||
| 61 | ✗ | int wettingPhase() const { return wPhaseIdx_; } | |
| 62 | |||
| 63 | /*! | ||
| 64 | * \brief Returns the saturation \f$S_\alpha\f$ of a fluid phase \f$\alpha\f$ in \f$\mathrm{[-]}\f$. | ||
| 65 | * | ||
| 66 | * The saturation is defined as the pore space occupied by the fluid divided by the total pore space: | ||
| 67 | * \f[S_\alpha := \frac{\phi \mathcal{V}_\alpha}{\phi \mathcal{V}}\f] | ||
| 68 | * | ||
| 69 | * \param phaseIdx the index of the phase | ||
| 70 | */ | ||
| 71 | Scalar saturation(int phaseIdx) const | ||
| 72 |
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752678636 | { return saturation_[phaseIdx]; } |
| 73 | |||
| 74 | /*! | ||
| 75 | * \brief Returns the molar fraction \f$x^\kappa_\alpha\f$ of the component \f$\kappa\f$ in fluid phase \f$\alpha\f$ in \f$\mathrm{[-]}\f$. | ||
| 76 | * | ||
| 77 | * The molar fraction \f$x^\kappa_\alpha\f$ is defined as the ratio of the number of molecules | ||
| 78 | * of component \f$\kappa\f$ and the total number of molecules of the phase \f$\alpha\f$. | ||
| 79 | * They are set either 1 or 0 in a phase since this is an immiscible fluidstate. | ||
| 80 | * \param phaseIdx the index of the phase | ||
| 81 | * \param compIdx the index of the component | ||
| 82 | */ | ||
| 83 | ✗ | Scalar moleFraction(int phaseIdx, int compIdx) const | |
| 84 |
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8938444 | { return (phaseIdx == compIdx) ? 1.0 : 0.0; } |
| 85 | |||
| 86 | /*! | ||
| 87 | * \brief Returns the mass fraction \f$X^\kappa_\alpha\f$ of component \f$\kappa\f$ in fluid phase \f$\alpha\f$ in \f$\mathrm{[-]}\f$. | ||
| 88 | * | ||
| 89 | * They are set either 1 or 0 in a phase since this is an immiscible fluidstate. | ||
| 90 | * | ||
| 91 | * \param phaseIdx the index of the phase | ||
| 92 | * \param compIdx the index of the component | ||
| 93 | */ | ||
| 94 | ✗ | Scalar massFraction(int phaseIdx, int compIdx) const | |
| 95 | ✗ | { return (phaseIdx == compIdx) ? 1.0 : 0.0; } | |
| 96 | |||
| 97 | /*! | ||
| 98 | * \brief The average molar mass \f$\overline M_\alpha\f$ of phase \f$\alpha\f$ in \f$\mathrm{[kg/mol]}\f$ | ||
| 99 | * | ||
| 100 | * The average molar mass is the mean mass of a mole of the | ||
| 101 | * fluid at current composition. It is defined as the sum of the | ||
| 102 | * component's molar masses weighted by the current mole fraction: | ||
| 103 | * \f[\mathrm{ \overline M_\alpha = \sum_\kappa M^\kappa x_\alpha^\kappa}\f] | ||
| 104 | * | ||
| 105 | * Since this is an immiscible fluidstate we simply consider the molarMass of the | ||
| 106 | * pure component/phase. | ||
| 107 | */ | ||
| 108 | ✗ | Scalar averageMolarMass(int phaseIdx) const | |
| 109 |
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58060534 | { return FluidSystem::molarMass(/*compIdx=*/phaseIdx); } |
| 110 | |||
| 111 | /*! | ||
| 112 | * \brief The molar concentration \f$c^\kappa_\alpha\f$ of component \f$\kappa\f$ in fluid phase \f$\alpha\f$ in \f$\mathrm{[mol/m^3]}\f$ | ||
| 113 | * | ||
| 114 | * This quantity is usually called "molar concentration" or just | ||
| 115 | * "concentration", but there are many other (though less common) | ||
| 116 | * measures for concentration. | ||
| 117 | * | ||
| 118 | * http://en.wikipedia.org/wiki/Concentration | ||
| 119 | */ | ||
| 120 | Scalar molarity(int phaseIdx, int compIdx) const | ||
| 121 | 18 | { return molarDensity(phaseIdx)*moleFraction(phaseIdx, compIdx); } | |
| 122 | |||
| 123 | /*! | ||
| 124 | * \brief The fugacity \f$f^\kappa_\alpha\f$ of component \f$\kappa\f$ | ||
| 125 | * in fluid phase \f$\alpha\f$ in \f$\mathrm{[Pa]}\f$ | ||
| 126 | * | ||
| 127 | * The fugacity is defined as: | ||
| 128 | * \f$f_\alpha^\kappa := \Phi^\kappa_\alpha x^\kappa_\alpha p_\alpha \;,\f$ | ||
| 129 | * where \f$\Phi^\kappa_\alpha\f$ is the fugacity coefficient \cite reid1987 . | ||
| 130 | * The physical meaning of fugacity becomes clear from the equation: | ||
| 131 | * \f[f_\alpha^\kappa = p_\alpha \exp\left\{\frac{\zeta^\kappa_\alpha}{R T_\alpha} \right\} \;,\f] | ||
| 132 | * where \f$\zeta^\kappa_\alpha\f$ represents the \f$\kappa\f$'s chemical | ||
| 133 | * potential in phase \f$\alpha\f$, \f$R\f$ stands for the ideal gas constant, | ||
| 134 | * and \f$T_\alpha\f$ for the absolute temperature of phase \f$\alpha\f$. Assuming thermal equilibrium, | ||
| 135 | * there is a one-to-one mapping between a component's chemical potential | ||
| 136 | * \f$\zeta^\kappa_\alpha\f$ and its fugacity \f$f^\kappa_\alpha\f$. In this | ||
| 137 | * case chemical equilibrium can thus be expressed by: | ||
| 138 | * \f[f^\kappa := f^\kappa_\alpha = f^\kappa_\beta\quad\forall \alpha, \beta\f] | ||
| 139 | * | ||
| 140 | * To avoid numerical issues with code that assumes miscibility, | ||
| 141 | * we return a fugacity of 0 for components which do not mix with | ||
| 142 | * the specified phase. (Actually it is undefined, but for finite | ||
| 143 | * fugacity coefficients, the only way to get components | ||
| 144 | * completely out of a phase is 0 to feed it zero fugacity.) | ||
| 145 | */ | ||
| 146 | Scalar fugacity(int phaseIdx, int compIdx) const | ||
| 147 |
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1 | { return phaseIdx == compIdx ? pressure(phaseIdx) : 0.0; } |
| 148 | |||
| 149 | /*! | ||
| 150 | * \brief The fugacity coefficient \f$\Phi^\kappa_\alpha\f$ of component \f$\kappa\f$ in fluid phase \f$\alpha\f$ in \f$\mathrm{[-]}\f$ | ||
| 151 | * | ||
| 152 | * Since we assume immiscibility, the fugacity coefficients for | ||
| 153 | * the components which are not miscible with the phase is | ||
| 154 | * infinite. Beware that this will very likely break your code if | ||
| 155 | * you don't keep that in mind. | ||
| 156 | */ | ||
| 157 | ✗ | Scalar fugacityCoefficient(int phaseIdx, int compIdx) const | |
| 158 | ✗ | { return phaseIdx == compIdx ? 1.0 : std::numeric_limits<Scalar>::infinity(); } | |
| 159 | |||
| 160 | /*! | ||
| 161 | * \brief The partial pressure of a component in a phase \f$\mathrm{[Pa]}\f$ | ||
| 162 | * | ||
| 163 | * To avoid numerical issues with code that assumes miscibility, | ||
| 164 | * we return a partial pressure of 0 for components which do not mix with | ||
| 165 | * the specified phase. Actually it is undefined. | ||
| 166 | */ | ||
| 167 | Scalar partialPressure(int phaseIdx, int compIdx) const | ||
| 168 | 8298092 | { return phaseIdx == compIdx ? pressure(phaseIdx) : 0.0; } | |
| 169 | |||
| 170 | /*! | ||
| 171 | * \brief The molar volume \f$v_{mol,\alpha}\f$ of a fluid phase \f$\alpha\f$ in \f$\mathrm{[m^3/mol]}\f$ | ||
| 172 | * | ||
| 173 | * This quantity is the inverse of the molar density. | ||
| 174 | */ | ||
| 175 | Scalar molarVolume(int phaseIdx) const | ||
| 176 |
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1 | { return 1.0/molarDensity(phaseIdx); } |
| 177 | |||
| 178 | /*! | ||
| 179 | * \brief The mass density \f$\rho_\alpha\f$ of the fluid phase | ||
| 180 | * \f$\alpha\f$ in \f$\mathrm{[kg/m^3]}\f$ | ||
| 181 | */ | ||
| 182 | ✗ | Scalar density(int phaseIdx) const | |
| 183 |
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2980154270 | { return density_[phaseIdx]; } |
| 184 | |||
| 185 | /*! | ||
| 186 | * \brief The molar density \f$\rho_{mol,\alpha}\f$ | ||
| 187 | * of a fluid phase \f$\alpha\f$ in \f$\mathrm{[mol/m^3]}\f$ | ||
| 188 | * | ||
| 189 | * The molar density is defined by the mass density \f$\rho_\alpha\f$ and the mean molar mass \f$\overline M_\alpha\f$: | ||
| 190 | * | ||
| 191 | * \f[\rho_{mol,\alpha} = \frac{\rho_\alpha}{\overline M_\alpha} \;.\f] | ||
| 192 | */ | ||
| 193 | Scalar molarDensity(int phaseIdx) const | ||
| 194 |
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269 | { return molarDensity_[phaseIdx]; } |
| 195 | |||
| 196 | /*! | ||
| 197 | * \brief The absolute temperature\f$T_\alpha\f$ of a fluid phase \f$\alpha\f$ in \f$\mathrm{[K]}\f$ | ||
| 198 | */ | ||
| 199 | ✗ | Scalar temperature(int phaseIdx) const | |
| 200 |
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469503588 | { return temperature_[phaseIdx]; } |
| 201 | |||
| 202 | /*! | ||
| 203 | * \brief The pressure \f$p_\alpha\f$ of a fluid phase \f$\alpha\f$ in \f$\mathrm{[Pa]}\f$ | ||
| 204 | */ | ||
| 205 | ✗ | Scalar pressure(int phaseIdx) const | |
| 206 |
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2105159163 | { return pressure_[phaseIdx]; } |
| 207 | |||
| 208 | /*! | ||
| 209 | * \brief The specific enthalpy \f$h_\alpha\f$ of a fluid phase \f$\alpha\f$ in \f$\mathrm{[J/kg]}\f$ | ||
| 210 | */ | ||
| 211 | ✗ | Scalar enthalpy(int phaseIdx) const | |
| 212 |
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25984185 | { return enthalpy_[phaseIdx]; } |
| 213 | |||
| 214 | /*! | ||
| 215 | * \brief The specific internal energy \f$u_\alpha\f$ of a fluid phase \f$\alpha\f$ in \f$\mathrm{[J/kg]}\f$ | ||
| 216 | * | ||
| 217 | * The specific internal energy is defined by the relation: | ||
| 218 | * | ||
| 219 | * \f[u_\alpha = h_\alpha - \frac{p_\alpha}{\rho_\alpha}\f] | ||
| 220 | */ | ||
| 221 | Scalar internalEnergy(int phaseIdx) const | ||
| 222 |
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43912665 | { return enthalpy_[phaseIdx] - pressure(phaseIdx)/density(phaseIdx); } |
| 223 | |||
| 224 | /*! | ||
| 225 | * \brief The dynamic viscosity \f$\mu_\alpha\f$ of fluid phase \f$\alpha\f$ in \f$\mathrm{[Pa s]}\f$ | ||
| 226 | */ | ||
| 227 | ✗ | Scalar viscosity(int phaseIdx) const | |
| 228 |
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485180530 | { return viscosity_[phaseIdx]; } |
| 229 | |||
| 230 | /***************************************************** | ||
| 231 | * Access to fluid properties which only make sense | ||
| 232 | * if assuming thermodynamic equilibrium | ||
| 233 | *****************************************************/ | ||
| 234 | |||
| 235 | /*! | ||
| 236 | * \brief The temperature within the domain \f$\mathrm{[K]}\f$ | ||
| 237 | */ | ||
| 238 | ✗ | Scalar temperature() const | |
| 239 | ✗ | { return temperature_[0]; } | |
| 240 | |||
| 241 | /*! | ||
| 242 | * \brief The fugacity of a component \f$\mathrm{[Pa]}\f$ | ||
| 243 | * | ||
| 244 | * This assumes chemical equilibrium. | ||
| 245 | */ | ||
| 246 | Scalar fugacity(int compIdx) const | ||
| 247 | { return fugacity(0, compIdx); } | ||
| 248 | |||
| 249 | |||
| 250 | /***************************************************** | ||
| 251 | * Setter methods. Note that these are not part of the | ||
| 252 | * generic FluidState interface but specific for each | ||
| 253 | * implementation... | ||
| 254 | *****************************************************/ | ||
| 255 | |||
| 256 | /*! | ||
| 257 | * \brief Retrieve all parameters from an arbitrary fluid | ||
| 258 | * state. | ||
| 259 | * \param fs Fluidstate | ||
| 260 | * | ||
| 261 | * \note If the other fluid state object is inconsistent with the | ||
| 262 | * thermodynamic equilibrium, the result of this method is | ||
| 263 | * undefined. | ||
| 264 | */ | ||
| 265 | template <class FluidState> | ||
| 266 | void assign(const FluidState &fs) | ||
| 267 | { | ||
| 268 | for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) | ||
| 269 | { | ||
| 270 | pressure_[phaseIdx] = fs.pressure(phaseIdx); | ||
| 271 | saturation_[phaseIdx] = fs.saturation(phaseIdx); | ||
| 272 | density_[phaseIdx] = fs.density(phaseIdx); | ||
| 273 | molarDensity_[phaseIdx] = fs.molarDensity(phaseIdx); | ||
| 274 | enthalpy_[phaseIdx] = fs.enthalpy(phaseIdx); | ||
| 275 | viscosity_[phaseIdx] = fs.viscosity(phaseIdx); | ||
| 276 | temperature_[phaseIdx] = fs.temperature(0); | ||
| 277 | } | ||
| 278 | } | ||
| 279 | |||
| 280 | /*! | ||
| 281 | * \brief Set the temperature \f$\mathrm{[K]}\f$ of a fluid phase | ||
| 282 | */ | ||
| 283 | ✗ | void setTemperature(int phaseIdx, Scalar value) | |
| 284 |
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285869822 | { temperature_[phaseIdx] = value; } |
| 285 | |||
| 286 | /*! | ||
| 287 | * \brief Set the temperature \f$\mathrm{[K]}\f$ of a fluid phase | ||
| 288 | */ | ||
| 289 | ✗ | void setTemperature(Scalar value) | |
| 290 | { | ||
| 291 |
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102890 | for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) |
| 292 |
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25 | temperature_[phaseIdx] = value; |
| 293 | ✗ | } | |
| 294 | |||
| 295 | /*! | ||
| 296 | * \brief Set the fluid pressure of a phase \f$\mathrm{[Pa]}\f$ | ||
| 297 | */ | ||
| 298 | ✗ | void setPressure(int phaseIdx, Scalar value) | |
| 299 |
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197750593 | { pressure_[phaseIdx] = value; } |
| 300 | |||
| 301 | /*! | ||
| 302 | * \brief Set the saturation of a phase \f$\mathrm{[-]}\f$ | ||
| 303 | */ | ||
| 304 | ✗ | void setSaturation(int phaseIdx, Scalar value) | |
| 305 |
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285860501 | { saturation_[phaseIdx] = value; } |
| 306 | |||
| 307 | /*! | ||
| 308 | * \brief Set the density of a phase \f$\mathrm{[kg/m^3]}\f$ | ||
| 309 | */ | ||
| 310 | ✗ | void setDensity(int phaseIdx, Scalar value) | |
| 311 |
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221857177 | { density_[phaseIdx] = value; } |
| 312 | |||
| 313 | /*! | ||
| 314 | * \brief Set the molar density of a phase \f$\mathrm{[kg/m^3]}\f$ | ||
| 315 | */ | ||
| 316 | void setMolarDensity(int phaseIdx, Scalar value) | ||
| 317 | 268 | { molarDensity_[phaseIdx] = value; } | |
| 318 | |||
| 319 | /*! | ||
| 320 | * \brief Set the specific enthalpy of a phase \f$\mathrm{[J/kg]}\f$ | ||
| 321 | */ | ||
| 322 | ✗ | void setEnthalpy(int phaseIdx, Scalar value) | |
| 323 |
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244584423 | { enthalpy_[phaseIdx] = value; } |
| 324 | |||
| 325 | /*! | ||
| 326 | * \brief Set the dynamic viscosity of a phase \f$\mathrm{[Pa s]}\f$ | ||
| 327 | */ | ||
| 328 | ✗ | void setViscosity(int phaseIdx, Scalar value) | |
| 329 |
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202597709 | { viscosity_[phaseIdx] = value; } |
| 330 | |||
| 331 | /*! | ||
| 332 | * \brief Set the index of the most wetting phase | ||
| 333 | */ | ||
| 334 | ✗ | void setWettingPhase(int phaseIdx) | |
| 335 |
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74857634 | { wPhaseIdx_ = phaseIdx; } |
| 336 | protected: | ||
| 337 | //! zero-initialize all data members with braces syntax | ||
| 338 | Scalar pressure_[numPhases] = {}; | ||
| 339 | Scalar saturation_[numPhases] = {}; | ||
| 340 | Scalar density_[numPhases] = {}; | ||
| 341 | Scalar molarDensity_[numPhases] = {}; | ||
| 342 | Scalar enthalpy_[numPhases] = {}; | ||
| 343 | Scalar viscosity_[numPhases] = {}; | ||
| 344 | Scalar temperature_[numPhases] = {}; | ||
| 345 | |||
| 346 | int wPhaseIdx_{0}; | ||
| 347 | }; | ||
| 348 | |||
| 349 | } // end namespace Dumux | ||
| 350 | |||
| 351 | #endif | ||
| 352 |