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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-FileCopyrightText: 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 FluidSystems | ||
| 10 | * \copybrief Dumux::FluidSystems::TwoPOneC | ||
| 11 | */ | ||
| 12 | #ifndef DUMUX_2P_1C_FLUID_SYSTEM_HH | ||
| 13 | #define DUMUX_2P_1C_FLUID_SYSTEM_HH | ||
| 14 | |||
| 15 | #include <limits> | ||
| 16 | #include <cassert> | ||
| 17 | #include <iostream> | ||
| 18 | |||
| 19 | #include <dune/common/exceptions.hh> | ||
| 20 | |||
| 21 | #include <dumux/io/name.hh> | ||
| 22 | |||
| 23 | #include "base.hh" | ||
| 24 | |||
| 25 | namespace Dumux::FluidSystems { | ||
| 26 | |||
| 27 | /*! | ||
| 28 | * \ingroup FluidSystems | ||
| 29 | * \brief A two-phase fluid system with only one component. | ||
| 30 | */ | ||
| 31 | template <class Scalar, class ComponentType> | ||
| 32 | class TwoPOneC | ||
| 33 | : public Base<Scalar, TwoPOneC<Scalar, ComponentType> > | ||
| 34 | { | ||
| 35 | using ThisType = TwoPOneC<Scalar, ComponentType>; | ||
| 36 | using Component = ComponentType; | ||
| 37 | |||
| 38 | public: | ||
| 39 | static constexpr int numPhases = 2; //!< Number of phases in the fluid system | ||
| 40 | static constexpr int numComponents = 1; //!< Number of components in the fluid system | ||
| 41 | |||
| 42 | static constexpr int liquidPhaseIdx = 0; //!< index of the liquid phase | ||
| 43 | static constexpr int gasPhaseIdx = 1; //!< index of the gas phase | ||
| 44 | static constexpr int phase0Idx = liquidPhaseIdx; //!< index of the first phase | ||
| 45 | static constexpr int phase1Idx = gasPhaseIdx; //!< index of the second phase | ||
| 46 | |||
| 47 | static constexpr int comp0Idx = 0; //!< index of the only component | ||
| 48 | |||
| 49 | /**************************************** | ||
| 50 | * Fluid phase related static parameters | ||
| 51 | ****************************************/ | ||
| 52 | /*! | ||
| 53 | * \brief Return the human readable name of a fluid phase | ||
| 54 | * | ||
| 55 | * \param phaseIdx The index of the fluid phase to consider | ||
| 56 | */ | ||
| 57 | 34 | static std::string phaseName(int phaseIdx) | |
| 58 | { | ||
| 59 |
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39 | static std::string name[] = { |
| 60 | std::string(IOName::liquidPhase()), | ||
| 61 | std::string(IOName::gaseousPhase()), | ||
| 62 | }; | ||
| 63 | |||
| 64 |
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34 | assert(0 <= phaseIdx && phaseIdx < numPhases); |
| 65 | 34 | return name[phaseIdx]; | |
| 66 | } | ||
| 67 | |||
| 68 | /*! | ||
| 69 | * \brief Returns whether the fluids are miscible | ||
| 70 | */ | ||
| 71 | static constexpr bool isMiscible() | ||
| 72 | { return false; } | ||
| 73 | |||
| 74 | /*! | ||
| 75 | * \brief Return whether a phase is gaseous | ||
| 76 | * | ||
| 77 | * \param phaseIdx The index of the fluid phase to consider | ||
| 78 | */ | ||
| 79 | static constexpr bool isGas(int phaseIdx) | ||
| 80 | { | ||
| 81 | assert(0 <= phaseIdx && phaseIdx < numPhases); | ||
| 82 | return phaseIdx == gasPhaseIdx; | ||
| 83 | } | ||
| 84 | |||
| 85 | /*! | ||
| 86 | * \brief Returns true if and only if a fluid phase is assumed to | ||
| 87 | * be an ideal mixture. | ||
| 88 | * | ||
| 89 | * We define an ideal mixture as a fluid phase where the fugacity | ||
| 90 | * coefficients of all components times the pressure of the phase | ||
| 91 | * are independent on the fluid composition. This assumption is true | ||
| 92 | * if Henry's law and Raoult's law apply. If you are unsure what | ||
| 93 | * this function should return, it is safe to return false. The | ||
| 94 | * only damage done will be (slightly) increased computation times | ||
| 95 | * in some cases. | ||
| 96 | * | ||
| 97 | * \param phaseIdx The index of the fluid phase to consider | ||
| 98 | */ | ||
| 99 | static constexpr bool isIdealMixture(int phaseIdx) | ||
| 100 | { | ||
| 101 | assert(0 <= phaseIdx && phaseIdx < numPhases); | ||
| 102 | // we assume Henry's and Raoult's laws for the water phase and | ||
| 103 | // and no interaction between gas molecules of different | ||
| 104 | // components, so all phases are ideal mixtures! | ||
| 105 | return true; | ||
| 106 | } | ||
| 107 | |||
| 108 | /*! | ||
| 109 | * \brief Returns true if and only if a fluid phase is assumed to | ||
| 110 | * be compressible. | ||
| 111 | * | ||
| 112 | * Compressible means that the partial derivative of the density | ||
| 113 | * to the fluid pressure is always larger than zero. | ||
| 114 | * | ||
| 115 | * \param phaseIdx The index of the fluid phase to consider | ||
| 116 | */ | ||
| 117 | static constexpr bool isCompressible(int phaseIdx) | ||
| 118 | { | ||
| 119 | assert(0 <= phaseIdx && phaseIdx < numPhases); | ||
| 120 | // gases are always compressible | ||
| 121 | if (phaseIdx == gasPhaseIdx) | ||
| 122 | return true; | ||
| 123 | // the component decides for the liquid phase... | ||
| 124 | return Component::liquidIsCompressible(); | ||
| 125 | } | ||
| 126 | |||
| 127 | /*! | ||
| 128 | * \brief Returns true if and only if a fluid phase is assumed to | ||
| 129 | * be an ideal gas. | ||
| 130 | * | ||
| 131 | * \param phaseIdx The index of the fluid phase to consider | ||
| 132 | */ | ||
| 133 | static constexpr bool isIdealGas(int phaseIdx) | ||
| 134 | { | ||
| 135 | assert(0 <= phaseIdx && phaseIdx < numPhases); | ||
| 136 | |||
| 137 | if (phaseIdx == gasPhaseIdx) | ||
| 138 | // let the components decide | ||
| 139 | return Component::gasIsIdeal(); | ||
| 140 | return false; // not a gas | ||
| 141 | } | ||
| 142 | |||
| 143 | /**************************************** | ||
| 144 | * Component related static parameters | ||
| 145 | ****************************************/ | ||
| 146 | |||
| 147 | /*! | ||
| 148 | * \brief Return the human readable name of a component | ||
| 149 | * | ||
| 150 | * \param compIdx The index of the component to consider | ||
| 151 | */ | ||
| 152 | 1 | static std::string componentName(int compIdx) | |
| 153 | { | ||
| 154 |
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1 | assert(0 <= compIdx && compIdx < numComponents); |
| 155 | 1 | return Component::name(); | |
| 156 | } | ||
| 157 | |||
| 158 | /*! | ||
| 159 | * \brief Return the molar mass of a component in [kg/mol]. | ||
| 160 | * | ||
| 161 | * \param compIdx The index of the component to consider | ||
| 162 | */ | ||
| 163 | static Scalar molarMass(int compIdx) | ||
| 164 | { | ||
| 165 | assert(0 <= compIdx && compIdx < numComponents); | ||
| 166 | return Component::molarMass(); | ||
| 167 | } | ||
| 168 | |||
| 169 | /*! | ||
| 170 | * \brief Critical temperature of a component [K]. | ||
| 171 | * | ||
| 172 | * \param compIdx The index of the component to consider | ||
| 173 | */ | ||
| 174 | static Scalar criticalTemperature(int compIdx) | ||
| 175 | { | ||
| 176 | assert(0 <= compIdx && compIdx < numComponents); | ||
| 177 | return Component::criticalTemperature(); | ||
| 178 | } | ||
| 179 | |||
| 180 | /*! | ||
| 181 | * \brief Critical pressure of a component [Pa]. | ||
| 182 | * | ||
| 183 | * \param compIdx The index of the component to consider | ||
| 184 | */ | ||
| 185 | static Scalar criticalPressure(int compIdx) | ||
| 186 | { | ||
| 187 | assert(0 <= compIdx && compIdx < numComponents); | ||
| 188 | return Component::criticalPressure(); | ||
| 189 | } | ||
| 190 | |||
| 191 | /*! | ||
| 192 | * \brief Molar volume of a component at the critical point [m^3/mol]. | ||
| 193 | * | ||
| 194 | * \param compIdx The index of the component to consider | ||
| 195 | */ | ||
| 196 | static Scalar criticalMolarVolume(int compIdx) | ||
| 197 | { | ||
| 198 | DUNE_THROW(Dune::NotImplemented, | ||
| 199 | "TwoPOneC::criticalMolarVolume()"); | ||
| 200 | return 0; | ||
| 201 | } | ||
| 202 | |||
| 203 | /*! | ||
| 204 | * \brief The acentric factor of a component []. | ||
| 205 | * | ||
| 206 | * \param compIdx The index of the component to consider | ||
| 207 | */ | ||
| 208 | static Scalar acentricFactor(int compIdx) | ||
| 209 | { | ||
| 210 | assert(0 <= compIdx && compIdx < numComponents); | ||
| 211 | return Component::acentricFactor(); | ||
| 212 | } | ||
| 213 | |||
| 214 | /**************************************** | ||
| 215 | * thermodynamic relations | ||
| 216 | ****************************************/ | ||
| 217 | |||
| 218 | /*! | ||
| 219 | * \brief Initialize the fluid system's static parameters generically | ||
| 220 | * | ||
| 221 | * If a tabulated H2O component is used, we do our best to create | ||
| 222 | * tables that always work. | ||
| 223 | */ | ||
| 224 | 4 | static void init() | |
| 225 | { | ||
| 226 | 4 | init(/*tempMin=*/273.15, | |
| 227 | /*tempMax=*/623.15, | ||
| 228 | /*numTemp=*/100, | ||
| 229 | /*pMin=*/0.0, | ||
| 230 | /*pMax=*/20e6, | ||
| 231 | /*numP=*/200); | ||
| 232 | 4 | } | |
| 233 | |||
| 234 | /*! | ||
| 235 | * \brief Initialize the fluid system's static parameters using | ||
| 236 | * problem specific temperature and pressure ranges | ||
| 237 | * | ||
| 238 | * \param tempMin The minimum temperature used for tabulation of water [K] | ||
| 239 | * \param tempMax The maximum temperature used for tabulation of water [K] | ||
| 240 | * \param nTemp The number of ticks on the temperature axis of the table of water | ||
| 241 | * \param pressMin The minimum pressure used for tabulation of water [Pa] | ||
| 242 | * \param pressMax The maximum pressure used for tabulation of water [Pa] | ||
| 243 | * \param nPress The number of ticks on the pressure axis of the table of water | ||
| 244 | */ | ||
| 245 | 4 | static void init(Scalar tempMin, Scalar tempMax, unsigned nTemp, | |
| 246 | Scalar pressMin, Scalar pressMax, unsigned nPress) | ||
| 247 | { | ||
| 248 | if (Component::isTabulated) | ||
| 249 | { | ||
| 250 |
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4 | Component::init(tempMin, tempMax, nTemp, |
| 251 | pressMin, pressMax, nPress); | ||
| 252 | } | ||
| 253 | } | ||
| 254 | |||
| 255 | using Base<Scalar, ThisType>::density; | ||
| 256 | //! \copydoc Base<Scalar,ThisType>::density(const FluidState&,int) | ||
| 257 | template <class FluidState> | ||
| 258 | 2452972 | static Scalar density(const FluidState &fluidState, | |
| 259 | int phaseIdx) | ||
| 260 | { | ||
| 261 |
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2452972 | assert(0 <= phaseIdx && phaseIdx < numPhases); |
| 262 | |||
| 263 |
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2452972 | Scalar temperature = fluidState.temperature(phaseIdx); |
| 264 | 2452972 | Scalar pressure = fluidState.pressure(phaseIdx); | |
| 265 | |||
| 266 | // liquid phase | ||
| 267 |
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2452972 | if (phaseIdx == liquidPhaseIdx) { |
| 268 | 1226488 | return Component::liquidDensity(temperature, pressure); | |
| 269 | } | ||
| 270 | else if (phaseIdx == gasPhaseIdx)// gas phase | ||
| 271 | { | ||
| 272 | 1226484 | return Component::gasDensity(temperature, pressure); | |
| 273 | } | ||
| 274 | else | ||
| 275 | DUNE_THROW(Dune::InvalidStateException, "Invalid phase index."); | ||
| 276 | } | ||
| 277 | |||
| 278 | using Base<Scalar, ThisType>::molarDensity; | ||
| 279 | //! \copydoc Base<Scalar,ThisType>::molarDensity(const FluidState&,int) | ||
| 280 | template <class FluidState> | ||
| 281 |
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2452968 | static Scalar molarDensity(const FluidState &fluidState, int phaseIdx) |
| 282 | { | ||
| 283 | 2452968 | Scalar temperature = fluidState.temperature(phaseIdx); | |
| 284 | 2452968 | Scalar pressure = fluidState.temperature(phaseIdx); | |
| 285 |
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2452968 | if (phaseIdx == liquidPhaseIdx) |
| 286 | 1226484 | return Component::liquidMolarDensity(temperature, pressure); | |
| 287 |
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1226484 | else if (phaseIdx == gasPhaseIdx) |
| 288 | 1226484 | return Component::gasMolarDensity(temperature, pressure); | |
| 289 | else | ||
| 290 | ✗ | DUNE_THROW(Dune::InvalidStateException, "Invalid phase index."); | |
| 291 | } | ||
| 292 | |||
| 293 | using Base<Scalar, ThisType>::viscosity; | ||
| 294 | //! \copydoc Base<Scalar,ThisType>::viscosity(const FluidState&,int) | ||
| 295 | template <class FluidState> | ||
| 296 | 2452968 | static Scalar viscosity(const FluidState &fluidState, | |
| 297 | int phaseIdx) | ||
| 298 | { | ||
| 299 |
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2452968 | assert(0 <= phaseIdx && phaseIdx < numPhases); |
| 300 | |||
| 301 |
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2452968 | Scalar temperature = fluidState.temperature(phaseIdx); |
| 302 | 2452968 | Scalar pressure = fluidState.pressure(phaseIdx); | |
| 303 | |||
| 304 | // liquid phase | ||
| 305 |
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2452968 | if (phaseIdx == liquidPhaseIdx) |
| 306 | 1226484 | return Component::liquidViscosity(temperature, pressure); | |
| 307 | else if (phaseIdx == gasPhaseIdx) // gas phase | ||
| 308 | 1226484 | return Component::gasViscosity(temperature, pressure); | |
| 309 | else | ||
| 310 | DUNE_THROW(Dune::InvalidStateException, "Invalid phase index."); | ||
| 311 | } | ||
| 312 | |||
| 313 | /*! | ||
| 314 | * \brief calculate the temperature of vapor at a given pressure on the vapor pressure curve. | ||
| 315 | * | ||
| 316 | * \param fluidState An arbitrary fluid state | ||
| 317 | * \param phaseIdx The index of the fluid phase to consider | ||
| 318 | */ | ||
| 319 | template <class FluidState> | ||
| 320 | 98903 | static Scalar vaporTemperature(const FluidState &fluidState, | |
| 321 | const unsigned int phaseIdx) | ||
| 322 | { | ||
| 323 |
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2683 | assert(0 <= phaseIdx && phaseIdx < numPhases); |
| 324 | 101586 | Scalar pressure = fluidState.pressure(gasPhaseIdx); | |
| 325 | |||
| 326 |
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98903 | return Component::vaporTemperature(pressure); |
| 327 | } | ||
| 328 | |||
| 329 | using Base<Scalar, ThisType>::fugacityCoefficient; | ||
| 330 | /*! | ||
| 331 | * \brief Calculate the fugacity coefficient [-] of an individual | ||
| 332 | * component in a fluid phase | ||
| 333 | * | ||
| 334 | * The fugacity coefficient \f$\phi^\kappa_\alpha\f$ of | ||
| 335 | * component \f$\kappa\f$ in phase \f$\alpha\f$ is connected to | ||
| 336 | * the fugacity \f$f^\kappa_\alpha\f$ and the component's mole | ||
| 337 | * fraction \f$x^\kappa_\alpha\f$ by means of the relation | ||
| 338 | * | ||
| 339 | * \f[ | ||
| 340 | f^\kappa_\alpha = \phi^\kappa_\alpha\;x^\kappa_\alpha\;p_\alpha | ||
| 341 | \f] | ||
| 342 | * where \f$p_\alpha\f$ is the pressure of the fluid phase. | ||
| 343 | * | ||
| 344 | * The quantity "fugacity" itself is just an other way to express | ||
| 345 | * the chemical potential \f$\zeta^\kappa_\alpha\f$ of the | ||
| 346 | * component. It is defined via | ||
| 347 | * | ||
| 348 | * \f[ | ||
| 349 | f^\kappa_\alpha := \exp\left\{\frac{\zeta^\kappa_\alpha}{k_B T_\alpha} \right\} | ||
| 350 | \f] | ||
| 351 | * where \f$k_B = 1.380\cdot10^{-23}\;J/K\f$ is the Boltzmann constant. | ||
| 352 | * | ||
| 353 | * \param fluidState An arbitrary fluid state | ||
| 354 | * \param phaseIdx The index of the fluid phase to consider | ||
| 355 | * \param compIdx The index of the component to consider | ||
| 356 | */ | ||
| 357 | template <class FluidState> | ||
| 358 | 2 | static Scalar fugacityCoefficient(const FluidState &fluidState, | |
| 359 | int phaseIdx, | ||
| 360 | int compIdx) | ||
| 361 | { | ||
| 362 |
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2 | assert(0 <= phaseIdx && phaseIdx < numPhases); |
| 363 |
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2 | assert(0 <= compIdx && compIdx < numComponents); |
| 364 | |||
| 365 | 2 | Scalar temperature = fluidState.temperature(phaseIdx); | |
| 366 | 2 | Scalar pressure = fluidState.pressure(phaseIdx); | |
| 367 | |||
| 368 | // liquid phase | ||
| 369 |
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2 | if (phaseIdx == liquidPhaseIdx) |
| 370 | 1 | return Component::vaporPressure(temperature)/pressure; | |
| 371 | |||
| 372 | // for the gas phase, assume an ideal gas when it comes to | ||
| 373 | // fugacity (-> fugacity == partial pressure) | ||
| 374 | else if (phaseIdx == gasPhaseIdx) | ||
| 375 | return 1.0; | ||
| 376 | |||
| 377 | else | ||
| 378 | DUNE_THROW(Dune::InvalidStateException, "Invalid phase index."); | ||
| 379 | } | ||
| 380 | |||
| 381 | |||
| 382 | using Base<Scalar, ThisType>::diffusionCoefficient; | ||
| 383 | //! \copydoc Base<Scalar,ThisType>::diffusionCoefficient(const FluidState&,int,int) | ||
| 384 | template <class FluidState> | ||
| 385 | 2 | static Scalar diffusionCoefficient(const FluidState &fluidState, | |
| 386 | int phaseIdx, | ||
| 387 | int compIdx) | ||
| 388 | { | ||
| 389 | // TODO! | ||
| 390 |
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8 | DUNE_THROW(Dune::NotImplemented, "Diffusion coefficients"); |
| 391 | } | ||
| 392 | |||
| 393 | using Base<Scalar, ThisType>::binaryDiffusionCoefficient; | ||
| 394 | //! \copydoc Base<Scalar,ThisType>::binaryDiffusionCoefficient(const FluidState&,int,int,int) | ||
| 395 | template <class FluidState> | ||
| 396 | 2 | static Scalar binaryDiffusionCoefficient(const FluidState &fluidState, | |
| 397 | int phaseIdx, | ||
| 398 | int compIIdx, | ||
| 399 | int compJIdx) | ||
| 400 | |||
| 401 |
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8 | { DUNE_THROW(Dune::NotImplemented, "Binary Diffusion coefficients"); } |
| 402 | |||
| 403 | using Base<Scalar, ThisType>::enthalpy; | ||
| 404 | //! \copydoc Base<Scalar,ThisType>::enthalpy(const FluidState&,int) | ||
| 405 | template <class FluidState> | ||
| 406 | 2452968 | static Scalar enthalpy(const FluidState &fluidState, | |
| 407 | int phaseIdx) | ||
| 408 | { | ||
| 409 |
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2452968 | assert(0 <= phaseIdx && phaseIdx < numPhases); |
| 410 | |||
| 411 | // liquid phase | ||
| 412 |
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2452968 | if (phaseIdx == liquidPhaseIdx) |
| 413 | 1226484 | return Component::liquidEnthalpy(fluidState.temperature(phaseIdx), | |
| 414 | 1226484 | fluidState.pressure(phaseIdx)); | |
| 415 | |||
| 416 | else if (phaseIdx == gasPhaseIdx) // gas phase | ||
| 417 | 1226484 | return Component::gasEnthalpy(fluidState.temperature(phaseIdx), | |
| 418 | 1226484 | fluidState.pressure(phaseIdx)); | |
| 419 | |||
| 420 | else | ||
| 421 | DUNE_THROW(Dune::InvalidStateException, "Invalid phase index."); | ||
| 422 | } | ||
| 423 | |||
| 424 | using Base<Scalar, ThisType>::thermalConductivity; | ||
| 425 | //! \copydoc Base<Scalar,ThisType>::thermalConductivity(const FluidState&,int) | ||
| 426 | template <class FluidState> | ||
| 427 | 2452964 | static Scalar thermalConductivity(const FluidState &fluidState, | |
| 428 | const int phaseIdx) | ||
| 429 | { | ||
| 430 |
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2452964 | assert(0 <= phaseIdx && phaseIdx < numPhases); |
| 431 | // liquid phase | ||
| 432 |
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2452964 | if (phaseIdx == liquidPhaseIdx) |
| 433 | 1226484 | return Component::liquidThermalConductivity(fluidState.temperature(phaseIdx), | |
| 434 | 1226480 | fluidState.pressure(phaseIdx)); //0.68 ; | |
| 435 | |||
| 436 | else if (phaseIdx == gasPhaseIdx) // gas phase | ||
| 437 | 1226480 | return Component::gasThermalConductivity(fluidState.temperature(phaseIdx), | |
| 438 | 1226480 | fluidState.pressure(phaseIdx)); //0.0248; | |
| 439 | |||
| 440 | else | ||
| 441 | DUNE_THROW(Dune::InvalidStateException, "Invalid phase index."); | ||
| 442 | } | ||
| 443 | |||
| 444 | using Base<Scalar, ThisType>::heatCapacity; | ||
| 445 | //! \copydoc Base<Scalar,ThisType>::heatCapacity(const FluidState&,int) | ||
| 446 | template <class FluidState> | ||
| 447 | 2 | static Scalar heatCapacity(const FluidState &fluidState, | |
| 448 | int phaseIdx) | ||
| 449 | { | ||
| 450 |
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2 | assert(0 <= phaseIdx && phaseIdx < numPhases); |
| 451 | // liquid phase | ||
| 452 |
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2 | if (phaseIdx == liquidPhaseIdx) |
| 453 | 1 | return Component::liquidHeatCapacity(fluidState.temperature(phaseIdx), | |
| 454 | 1 | fluidState.pressure(phaseIdx));//4.217e3 ; | |
| 455 | |||
| 456 | else if (phaseIdx == gasPhaseIdx) // gas phase | ||
| 457 | 1 | return Component::gasHeatCapacity(fluidState.temperature(phaseIdx), | |
| 458 | 1 | fluidState.pressure(phaseIdx));//2.029e3; | |
| 459 | |||
| 460 | else | ||
| 461 | DUNE_THROW(Dune::InvalidStateException, "Invalid phase index."); | ||
| 462 | } | ||
| 463 | }; | ||
| 464 | |||
| 465 | } // end namespace Dumux::FluidSystems | ||
| 466 | |||
| 467 | #endif | ||
| 468 |