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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 | /*! | ||
| 9 | * \file | ||
| 10 | * \ingroup FluidSystems | ||
| 11 | * \brief @copybrief Dumux::FluidSystems::H2OAir | ||
| 12 | */ | ||
| 13 | #ifndef DUMUX_H2O_AIR_SYSTEM_HH | ||
| 14 | #define DUMUX_H2O_AIR_SYSTEM_HH | ||
| 15 | |||
| 16 | #include <cassert> | ||
| 17 | #include <iomanip> | ||
| 18 | |||
| 19 | #include <dumux/material/idealgas.hh> | ||
| 20 | #include <dumux/material/fluidsystems/base.hh> | ||
| 21 | |||
| 22 | #include <dumux/material/binarycoefficients/h2o_air.hh> | ||
| 23 | #include <dumux/material/components/air.hh> | ||
| 24 | #include <dumux/material/components/tabulatedcomponent.hh> | ||
| 25 | #include <dumux/material/components/h2o.hh> | ||
| 26 | |||
| 27 | #include <dumux/common/exceptions.hh> | ||
| 28 | |||
| 29 | #include <dumux/io/name.hh> | ||
| 30 | |||
| 31 | namespace Dumux { | ||
| 32 | namespace FluidSystems { | ||
| 33 | /*! | ||
| 34 | * \ingroup FluidSystems | ||
| 35 | * \brief Policy for the H2O-air fluid system | ||
| 36 | */ | ||
| 37 | template<bool fastButSimplifiedRelations = false> | ||
| 38 | struct H2OAirDefaultPolicy | ||
| 39 | { | ||
| 40 | static constexpr bool useH2ODensityAsLiquidMixtureDensity() { return fastButSimplifiedRelations; } | ||
| 41 | static constexpr bool useIdealGasDensity() { return fastButSimplifiedRelations; } | ||
| 42 | static constexpr bool useAirViscosityAsGasMixtureViscosity() { return fastButSimplifiedRelations; } | ||
| 43 | }; | ||
| 44 | |||
| 45 | /*! | ||
| 46 | * \ingroup FluidSystems | ||
| 47 | * | ||
| 48 | * \brief A compositional two-phase fluid system with water and air as | ||
| 49 | * components in both, the liquid and the gas phase. | ||
| 50 | * | ||
| 51 | * This fluidsystem features gas and liquid phases of distilled water | ||
| 52 | * \f$(\mathrm{H_2O})\f$) and air (Pseudo component composed of \f$\mathrm{79\%\;N_2}\f$, | ||
| 53 | * \f$\mathrm{20\%\;O_2}\f$ and \f$\mathrm{1\%\;Ar}\f$) as components. It is applied by | ||
| 54 | * default with the tabulated version of water of the IAPWS-formulation. | ||
| 55 | */ | ||
| 56 | template <class Scalar, | ||
| 57 | class H2Otype = Components::TabulatedComponent<Components::H2O<Scalar> >, | ||
| 58 | class Policy = H2OAirDefaultPolicy<>, | ||
| 59 | bool useKelvinVaporPressure = false> | ||
| 60 | class H2OAir | ||
| 61 | : public Base<Scalar, H2OAir<Scalar, H2Otype, Policy> > | ||
| 62 | { | ||
| 63 | using ThisType = H2OAir<Scalar,H2Otype, Policy>; | ||
| 64 | using IdealGas = Dumux::IdealGas<Scalar>; | ||
| 65 | |||
| 66 | public: | ||
| 67 | using H2O = H2Otype; | ||
| 68 | using Air = Dumux::Components::Air<Scalar>; | ||
| 69 | |||
| 70 | static constexpr int numPhases = 2; //!< Number of phases in the fluid system | ||
| 71 | static constexpr int numComponents = 2; //!< Number of components in the fluid system | ||
| 72 | |||
| 73 | static constexpr int liquidPhaseIdx = 0; //!< index of the liquid phase | ||
| 74 | static constexpr int gasPhaseIdx = 1; //!< index of the gas phase | ||
| 75 | static constexpr int phase0Idx = liquidPhaseIdx; //!< index of the first phase | ||
| 76 | static constexpr int phase1Idx = gasPhaseIdx; //!< index of the second phase | ||
| 77 | |||
| 78 | static constexpr int H2OIdx = 0; //!< index of the first component | ||
| 79 | static constexpr int AirIdx = 1; //!< index of the second component | ||
| 80 | static constexpr int comp0Idx = H2OIdx; //!< index of the first component | ||
| 81 | static constexpr int comp1Idx = AirIdx; //!< index of the second component | ||
| 82 | static constexpr int liquidCompIdx = H2OIdx; //!< index of the liquid component | ||
| 83 | static constexpr int gasCompIdx = AirIdx; //!< index of the gas component | ||
| 84 | |||
| 85 | /*! | ||
| 86 | * \brief Return the human readable name of a phase | ||
| 87 | * | ||
| 88 | * \param phaseIdx index of the phase | ||
| 89 | */ | ||
| 90 | 1995 | static std::string phaseName(int phaseIdx) | |
| 91 | { | ||
| 92 |
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1995 | assert(0 <= phaseIdx && phaseIdx < numPhases); |
| 93 |
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1995 | switch (phaseIdx) |
| 94 | { | ||
| 95 | 843 | case liquidPhaseIdx: return IOName::liquidPhase(); | |
| 96 | 1152 | case gasPhaseIdx: return IOName::gaseousPhase(); | |
| 97 | } | ||
| 98 | ✗ | DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx); | |
| 99 | } | ||
| 100 | |||
| 101 | /*! | ||
| 102 | * \brief Returns whether the fluids are miscible | ||
| 103 | */ | ||
| 104 | static constexpr bool isMiscible() | ||
| 105 | { return true; } | ||
| 106 | |||
| 107 | /*! | ||
| 108 | * \brief Return whether a phase is gaseous | ||
| 109 | * | ||
| 110 | * \param phaseIdx The index of the fluid phase to consider | ||
| 111 | */ | ||
| 112 | static constexpr bool isGas(int phaseIdx) | ||
| 113 | { | ||
| 114 |
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165775990 | assert(0 <= phaseIdx && phaseIdx < numPhases); |
| 115 | return phaseIdx == gasPhaseIdx; | ||
| 116 | } | ||
| 117 | |||
| 118 | /*! | ||
| 119 | * \brief Returns true if and only if a fluid phase is assumed to | ||
| 120 | * be an ideal mixture. | ||
| 121 | * | ||
| 122 | * We define an ideal mixture as a fluid phase where the fugacity | ||
| 123 | * coefficients of all components times the pressure of the phase | ||
| 124 | * are independent on the fluid composition. This assumption is true | ||
| 125 | * if Henry's law and Raoult's law apply. If you are unsure what | ||
| 126 | * this function should return, it is safe to return false. The | ||
| 127 | * only damage done will be (slightly) increased computation times | ||
| 128 | * in some cases. | ||
| 129 | * | ||
| 130 | * \param phaseIdx The index of the fluid phase to consider | ||
| 131 | */ | ||
| 132 | static constexpr bool isIdealMixture(int phaseIdx) | ||
| 133 | { | ||
| 134 |
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50382 | assert(0 <= phaseIdx && phaseIdx < numPhases); |
| 135 | // we assume Henry's and Raoult's laws for the water phase and | ||
| 136 | // and no interaction between gas molecules of different | ||
| 137 | // components, so all phases are ideal mixtures! | ||
| 138 | return true; | ||
| 139 | } | ||
| 140 | |||
| 141 | /*! | ||
| 142 | * \brief Returns true if and only if a fluid phase is assumed to | ||
| 143 | * be compressible. | ||
| 144 | * | ||
| 145 | * Compressible means that the partial derivative of the density | ||
| 146 | * to the fluid pressure is always larger than zero. | ||
| 147 | * | ||
| 148 | * \param phaseIdx The index of the fluid phase to consider | ||
| 149 | */ | ||
| 150 | static constexpr bool isCompressible(int phaseIdx) | ||
| 151 | { | ||
| 152 | assert(0 <= phaseIdx && phaseIdx < numPhases); | ||
| 153 | // ideal gases are always compressible | ||
| 154 |
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4 | if (phaseIdx == gasPhaseIdx) |
| 155 | return true; | ||
| 156 | // the water component decides for the liquid phase... | ||
| 157 | return H2O::liquidIsCompressible(); | ||
| 158 | } | ||
| 159 | |||
| 160 | /*! | ||
| 161 | * \brief Returns true if and only if a fluid phase is assumed to | ||
| 162 | * have a constant viscosity. | ||
| 163 | * | ||
| 164 | * \param phaseIdx The index of the fluid phase to consider | ||
| 165 | */ | ||
| 166 | static constexpr bool viscosityIsConstant(int phaseIdx) | ||
| 167 | { | ||
| 168 | // water decides for the liquid phase | ||
| 169 | if (phaseIdx == liquidPhaseIdx) | ||
| 170 | return H2O::liquidViscosityIsConstant(); | ||
| 171 | // air decides if policy is enabled | ||
| 172 | else if (phaseIdx == gasPhaseIdx && Policy::useAirViscosityAsGasMixtureViscosity()) | ||
| 173 | return Air::gasViscosityIsConstant(); | ||
| 174 | // in general it depends on the mixture | ||
| 175 | else | ||
| 176 | return false; | ||
| 177 | } | ||
| 178 | |||
| 179 | /*! | ||
| 180 | * \brief Returns true if and only if a fluid phase is assumed to | ||
| 181 | * be an ideal gas. | ||
| 182 | * | ||
| 183 | * \param phaseIdx The index of the fluid phase to consider | ||
| 184 | */ | ||
| 185 | static constexpr bool isIdealGas(int phaseIdx) | ||
| 186 | { | ||
| 187 | assert(0 <= phaseIdx && phaseIdx < numPhases); | ||
| 188 | |||
| 189 | // let the fluids decide | ||
| 190 | if (phaseIdx == gasPhaseIdx) | ||
| 191 | return H2O::gasIsIdeal() && Air::gasIsIdeal(); | ||
| 192 | return false; // not a gas | ||
| 193 | } | ||
| 194 | |||
| 195 | /**************************************** | ||
| 196 | * Component related static parameters | ||
| 197 | ****************************************/ | ||
| 198 | /*! | ||
| 199 | * \brief Return the human readable name of a component | ||
| 200 | * | ||
| 201 | * \param compIdx index of the component | ||
| 202 | */ | ||
| 203 | 673256 | static std::string componentName(int compIdx) | |
| 204 | { | ||
| 205 |
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673256 | switch (compIdx) |
| 206 | { | ||
| 207 | 399114 | case H2OIdx: return H2O::name(); | |
| 208 | 274142 | case AirIdx: return Air::name(); | |
| 209 | } | ||
| 210 | ✗ | DUNE_THROW(Dune::InvalidStateException, "Invalid component index " << compIdx); | |
| 211 | } | ||
| 212 | |||
| 213 | /*! | ||
| 214 | * \brief Return the molar mass of a component \f$\mathrm{[kg/mol]}\f$. | ||
| 215 | * | ||
| 216 | * \param compIdx index of the component | ||
| 217 | */ | ||
| 218 | 898717492 | static Scalar molarMass(int compIdx) | |
| 219 | { | ||
| 220 |
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898717492 | switch (compIdx) |
| 221 | { | ||
| 222 | case H2OIdx: return H2O::molarMass(); | ||
| 223 | 440187837 | case AirIdx: return Air::molarMass(); | |
| 224 | } | ||
| 225 | ✗ | DUNE_THROW(Dune::InvalidStateException, "Invalid component index " << compIdx); | |
| 226 | } | ||
| 227 | |||
| 228 | /*! | ||
| 229 | * \brief Critical temperature of a component \f$\mathrm{[K]}\f$. | ||
| 230 | * | ||
| 231 | * \param compIdx The index of the component to consider | ||
| 232 | */ | ||
| 233 | static Scalar criticalTemperature(int compIdx) | ||
| 234 | { | ||
| 235 | static const Scalar TCrit[] = { | ||
| 236 | H2O::criticalTemperature(), | ||
| 237 | Air::criticalTemperature() | ||
| 238 | }; | ||
| 239 | |||
| 240 | assert(0 <= compIdx && compIdx < numComponents); | ||
| 241 | return TCrit[compIdx]; | ||
| 242 | } | ||
| 243 | |||
| 244 | /*! | ||
| 245 | * \brief Critical pressure of a component \f$\mathrm{[Pa]}\f$. | ||
| 246 | * | ||
| 247 | * \param compIdx The index of the component to consider | ||
| 248 | */ | ||
| 249 | static Scalar criticalPressure(int compIdx) | ||
| 250 | { | ||
| 251 | static const Scalar pCrit[] = { | ||
| 252 | H2O::criticalPressure(), | ||
| 253 | Air::criticalPressure() | ||
| 254 | }; | ||
| 255 | |||
| 256 | assert(0 <= compIdx && compIdx < numComponents); | ||
| 257 | return pCrit[compIdx]; | ||
| 258 | } | ||
| 259 | |||
| 260 | /*! | ||
| 261 | * \brief Vapor pressure of a component \f$\mathrm{[Pa]}\f$. | ||
| 262 | * | ||
| 263 | * \param fluidState The fluid state | ||
| 264 | * \param compIdx The index of the component to consider | ||
| 265 | */ | ||
| 266 | template <class FluidState> | ||
| 267 | 1866922 | static Scalar vaporPressure(const FluidState &fluidState, int compIdx) | |
| 268 | { | ||
| 269 |
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1866922 | if (compIdx == H2OIdx) |
| 270 | { | ||
| 271 |
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1866922 | const auto t = fluidState.temperature(H2OIdx); |
| 272 | // cppcheck-suppress internalAstError | ||
| 273 | if constexpr (!useKelvinVaporPressure) | ||
| 274 | 1866922 | return H2O::vaporPressure(t); | |
| 275 | else | ||
| 276 | { | ||
| 277 | ✗ | const auto pc = (fluidState.wettingPhase() == (int) H2OIdx) | |
| 278 | ✗ | ? fluidState.pressure(AirIdx)-fluidState.pressure(H2OIdx) | |
| 279 | ✗ | : fluidState.pressure(H2OIdx)-fluidState.pressure(AirIdx); | |
| 280 | ✗ | return H2O::vaporPressure(t)*exp( -pc * molarMass(H2OIdx) | |
| 281 | ✗ | / density(fluidState, H2OIdx) | |
| 282 | ✗ | / (Dumux::Constants<Scalar>::R*t) ); | |
| 283 | } | ||
| 284 | } | ||
| 285 | ✗ | else if (compIdx == AirIdx) | |
| 286 | // return Air::vaporPressure(fluidState.temperature(AirIdx)); | ||
| 287 | ✗ | DUNE_THROW(Dune::NotImplemented, "Air::vaporPressure(t)"); | |
| 288 | else | ||
| 289 | ✗ | DUNE_THROW(Dune::NotImplemented, "Invalid component index " << compIdx); | |
| 290 | } | ||
| 291 | |||
| 292 | /*! | ||
| 293 | * \brief Molar volume of a component at the critical point \f$\mathrm{[m^3/mol]}\f$. | ||
| 294 | * | ||
| 295 | * \param compIdx The index of the component to consider | ||
| 296 | */ | ||
| 297 | static Scalar criticalMolarVolume(int compIdx) | ||
| 298 | { | ||
| 299 | DUNE_THROW(Dune::NotImplemented, | ||
| 300 | "H2OAirFluidSystem::criticalMolarVolume()"); | ||
| 301 | } | ||
| 302 | |||
| 303 | /*! | ||
| 304 | * \brief The acentric factor of a component \f$\mathrm{[-]}\f$. | ||
| 305 | * | ||
| 306 | * \param compIdx The index of the component to consider | ||
| 307 | */ | ||
| 308 | static Scalar acentricFactor(int compIdx) | ||
| 309 | { | ||
| 310 | static const Scalar accFac[] = { | ||
| 311 | H2O::acentricFactor(), | ||
| 312 | Air::acentricFactor() | ||
| 313 | }; | ||
| 314 | |||
| 315 | assert(0 <= compIdx && compIdx < numComponents); | ||
| 316 | return accFac[compIdx]; | ||
| 317 | } | ||
| 318 | |||
| 319 | /**************************************** | ||
| 320 | * thermodynamic relations | ||
| 321 | ****************************************/ | ||
| 322 | |||
| 323 | /*! | ||
| 324 | * \brief Initialize the fluid system's static parameters generically | ||
| 325 | * | ||
| 326 | * If a tabulated H2O component is used, we do our best to create | ||
| 327 | * tables that always work. | ||
| 328 | */ | ||
| 329 | static void init() | ||
| 330 | { | ||
| 331 |
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43 | init(/*tempMin=*/273.15, |
| 332 | /*tempMax=*/623.15, | ||
| 333 | /*numTemp=*/100, | ||
| 334 | /*pMin=*/-10., | ||
| 335 | /*pMax=*/20e6, | ||
| 336 | /*numP=*/200); | ||
| 337 | } | ||
| 338 | |||
| 339 | /*! | ||
| 340 | * \brief Initialize the fluid system's static parameters using | ||
| 341 | * problem specific temperature and pressure ranges | ||
| 342 | * | ||
| 343 | * \param tempMin The minimum temperature used for tabulation of water \f$\mathrm{[K]}\f$ | ||
| 344 | * \param tempMax The maximum temperature used for tabulation of water\f$\mathrm{[K]}\f$ | ||
| 345 | * \param nTemp The number of ticks on the temperature axis of the table of water | ||
| 346 | * \param pressMin The minimum pressure used for tabulation of water \f$\mathrm{[Pa]}\f$ | ||
| 347 | * \param pressMax The maximum pressure used for tabulation of water \f$\mathrm{[Pa]}\f$ | ||
| 348 | * \param nPress The number of ticks on the pressure axis of the table of water | ||
| 349 | */ | ||
| 350 | 52 | static void init(Scalar tempMin, Scalar tempMax, unsigned nTemp, | |
| 351 | Scalar pressMin, Scalar pressMax, unsigned nPress) | ||
| 352 | { | ||
| 353 | 52 | std::cout << "The H2O-air fluid system was configured with the following policy:\n"; | |
| 354 | 104 | std::cout << " - use H2O density as liquid mixture density: " << std::boolalpha << Policy::useH2ODensityAsLiquidMixtureDensity() << "\n"; | |
| 355 | 104 | std::cout << " - use ideal gas density: " << std::boolalpha << Policy::useIdealGasDensity() << "\n"; | |
| 356 | 104 | std::cout << " - use air viscosity as gas mixture viscosity: " << std::boolalpha << Policy::useAirViscosityAsGasMixtureViscosity() << std::endl; | |
| 357 | |||
| 358 | if (H2O::isTabulated) | ||
| 359 | { | ||
| 360 | 44 | H2O::init(tempMin, tempMax, nTemp, | |
| 361 | pressMin, pressMax, nPress); | ||
| 362 | } | ||
| 363 | 52 | } | |
| 364 | |||
| 365 | using Base<Scalar, ThisType>::density; | ||
| 366 | /*! | ||
| 367 | * \brief Given a phase's composition, temperature, pressure, and | ||
| 368 | * the partial pressures of all components, return its | ||
| 369 | * density \f$\mathrm{[kg/m^3]}\f$. | ||
| 370 | * | ||
| 371 | * If Policy::useH2ODensityAsLiquidMixtureDensity() == false, we apply Eq. (7) | ||
| 372 | * in Class et al. (2002a) \cite A3:class:2002b <BR> | ||
| 373 | * for the liquid density. | ||
| 374 | * | ||
| 375 | * \param phaseIdx index of the phase | ||
| 376 | * \param fluidState the fluid state | ||
| 377 | * | ||
| 378 | */ | ||
| 379 | template <class FluidState> | ||
| 380 | 214905113 | static Scalar density(const FluidState &fluidState, | |
| 381 | const int phaseIdx) | ||
| 382 | { | ||
| 383 |
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214905113 | assert(0 <= phaseIdx && phaseIdx < numPhases); |
| 384 | |||
| 385 |
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214905113 | const Scalar T = fluidState.temperature(phaseIdx); |
| 386 |
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214905113 | const Scalar p = fluidState.pressure(phaseIdx); |
| 387 | |||
| 388 |
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214905113 | if (phaseIdx == phase0Idx) |
| 389 | { | ||
| 390 | if (Policy::useH2ODensityAsLiquidMixtureDensity()) | ||
| 391 | // assume pure water | ||
| 392 | 1591076 | return H2O::liquidDensity(T, p); | |
| 393 | else | ||
| 394 | { | ||
| 395 | // See: Eq. (7) in Class et al. (2002a) | ||
| 396 | // This assumes each gas molecule displaces exactly one | ||
| 397 | // molecule in the liquid. | ||
| 398 | 19103036 | return H2O::liquidMolarDensity(T, p) | |
| 399 | 19103036 | * (H2O::molarMass()*fluidState.moleFraction(liquidPhaseIdx, H2OIdx) | |
| 400 | 38206064 | + Air::molarMass()*fluidState.moleFraction(liquidPhaseIdx, AirIdx)); | |
| 401 | } | ||
| 402 | } | ||
| 403 | else if (phaseIdx == gasPhaseIdx) | ||
| 404 | { | ||
| 405 | if (Policy::useIdealGasDensity()) | ||
| 406 | // for the gas phase assume an ideal gas | ||
| 407 | { | ||
| 408 | 70923784 | const Scalar averageMolarMass = fluidState.averageMolarMass(gasPhaseIdx); | |
| 409 | 141847568 | return IdealGas::density(averageMolarMass, T, p); | |
| 410 | } | ||
| 411 | |||
| 412 | 52974783 | return H2O::gasDensity(T, fluidState.partialPressure(gasPhaseIdx, H2OIdx)) | |
| 413 | 56464271 | + Air::gasDensity(T, fluidState.partialPressure(gasPhaseIdx, AirIdx)); | |
| 414 | } | ||
| 415 | DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx); | ||
| 416 | } | ||
| 417 | |||
| 418 | using Base<Scalar, ThisType>::molarDensity; | ||
| 419 | //! \copydoc Base<Scalar,ThisType>::molarDensity(const FluidState&,int) | ||
| 420 | template <class FluidState> | ||
| 421 | 65920056 | static Scalar molarDensity(const FluidState &fluidState, int phaseIdx) | |
| 422 | { | ||
| 423 |
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65920056 | assert(0 <= phaseIdx && phaseIdx < numPhases); |
| 424 | |||
| 425 |
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65920056 | const Scalar T = fluidState.temperature(phaseIdx); |
| 426 |
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65920056 | const Scalar p = fluidState.pressure(phaseIdx); |
| 427 | |||
| 428 |
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65920056 | if (phaseIdx == phase0Idx) |
| 429 | { | ||
| 430 | // assume pure water or that each gas molecule displaces exactly one | ||
| 431 | // molecule in the liquid. | ||
| 432 | 19898574 | return H2O::liquidMolarDensity(T, p); | |
| 433 | } | ||
| 434 | else if (phaseIdx == phase1Idx) | ||
| 435 | { | ||
| 436 | if (Policy::useIdealGasDensity()) | ||
| 437 | // for the gas phase assume an ideal gas | ||
| 438 | 1591084 | { return IdealGas::molarDensity(T, p); } | |
| 439 | |||
| 440 | 45735948 | return H2O::gasMolarDensity(T, fluidState.partialPressure(phase1Idx, H2OIdx)) | |
| 441 | 46245960 | + Air::gasMolarDensity(T, fluidState.partialPressure(phase1Idx, AirIdx)); | |
| 442 | } | ||
| 443 | DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx); | ||
| 444 | } | ||
| 445 | |||
| 446 | using Base<Scalar, ThisType>::viscosity; | ||
| 447 | /*! | ||
| 448 | * \brief Calculate the dynamic viscosity of a fluid phase \f$\mathrm{[Pa*s]}\f$ | ||
| 449 | * | ||
| 450 | * Compositional effects in the gas phase are accounted by the Wilke method. | ||
| 451 | * See Reid et al. (1987) \cite reid1987 <BR> | ||
| 452 | * 4th edition, McGraw-Hill, 1987, 407-410 | ||
| 453 | * 5th edition, McGraw-Hill, 2001, p. 9.21/22 | ||
| 454 | * \note Compositional effects for a liquid mixture have to be implemented. | ||
| 455 | * | ||
| 456 | * \param fluidState An arbitrary fluid state | ||
| 457 | * \param phaseIdx The index of the fluid phase to consider | ||
| 458 | */ | ||
| 459 | template <class FluidState> | ||
| 460 | 131310995 | static Scalar viscosity(const FluidState &fluidState, | |
| 461 | int phaseIdx) | ||
| 462 | { | ||
| 463 |
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131310995 | assert(0 <= phaseIdx && phaseIdx < numPhases); |
| 464 | |||
| 465 |
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131310995 | Scalar T = fluidState.temperature(phaseIdx); |
| 466 |
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131310995 | Scalar p = fluidState.pressure(phaseIdx); |
| 467 | |||
| 468 |
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131310995 | if (phaseIdx == liquidPhaseIdx) |
| 469 | { | ||
| 470 | // assume pure water for the liquid phase | ||
| 471 | 19500806 | return H2O::liquidViscosity(T, p); | |
| 472 | } | ||
| 473 | else if (phaseIdx == gasPhaseIdx) | ||
| 474 | { | ||
| 475 | if(Policy::useAirViscosityAsGasMixtureViscosity()){ | ||
| 476 | 397774 | return Air::gasViscosity(T, p); | |
| 477 | } | ||
| 478 | else //using a complicated version of this fluid system | ||
| 479 | { | ||
| 480 | // Wilke method (Reid et al.): | ||
| 481 | 40589967 | Scalar muResult = 0; | |
| 482 | 81179934 | const Scalar mu[numComponents] = { | |
| 483 | 40589967 | h2oGasViscosityInMixture(T, p), | |
| 484 | 40589967 | Air::gasViscosity(T, p) | |
| 485 | }; | ||
| 486 | |||
| 487 | // molar masses | ||
| 488 | 40589967 | const Scalar M[numComponents] = { | |
| 489 | H2O::molarMass(), | ||
| 490 | Air::molarMass() | ||
| 491 | }; | ||
| 492 | |||
| 493 |
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121769901 | for (int i = 0; i < numComponents; ++i) |
| 494 | { | ||
| 495 | Scalar divisor = 0; | ||
| 496 | using std::sqrt; | ||
| 497 |
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243539802 | for (int j = 0; j < numComponents; ++j) |
| 498 | { | ||
| 499 | // 1 + (mu[i]/mu[j]^1/2 * (M[i]/M[j])^1/4) | ||
| 500 | 162359868 | Scalar phiIJ = 1 + sqrt(mu[i]/mu[j] * sqrt(M[j]/M[i])); | |
| 501 | 162359868 | phiIJ = phiIJ * phiIJ / sqrt(8*(1 + M[i]/M[j])); | |
| 502 |
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321740236 | divisor += fluidState.moleFraction(phaseIdx, j)*phiIJ; |
| 503 | } | ||
| 504 |
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160862318 | muResult += fluidState.moleFraction(phaseIdx, i)*mu[i] / divisor; |
| 505 | } | ||
| 506 | return muResult; | ||
| 507 | } | ||
| 508 | } | ||
| 509 | DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx); | ||
| 510 | } | ||
| 511 | |||
| 512 | using Base<Scalar, ThisType>::fugacityCoefficient; | ||
| 513 | /*! | ||
| 514 | * \brief Returns the fugacity coefficient \f$\mathrm{[-]}\f$ of a component in a | ||
| 515 | * phase. | ||
| 516 | * | ||
| 517 | * The fugacity coefficient \f$\phi^\kappa_\alpha\f$ of | ||
| 518 | * component \f$\kappa\f$ in phase \f$\alpha\f$ is connected to | ||
| 519 | * the fugacity \f$f^\kappa_\alpha\f$ and the component's mole | ||
| 520 | * fraction \f$x^\kappa_\alpha\f$ by means of the relation | ||
| 521 | * | ||
| 522 | * \f[ | ||
| 523 | f^\kappa_\alpha = \phi^\kappa_\alpha\;x^\kappa_\alpha\;p_\alpha | ||
| 524 | \f] | ||
| 525 | * where \f$p_\alpha\f$ is the pressure of the fluid phase. | ||
| 526 | * | ||
| 527 | * For liquids with very low miscibility this boils down to the | ||
| 528 | * Henry constant for the solutes and the saturated vapor pressure | ||
| 529 | * both divided by phase pressure. | ||
| 530 | */ | ||
| 531 | template <class FluidState> | ||
| 532 | 4285540 | static Scalar fugacityCoefficient(const FluidState &fluidState, | |
| 533 | int phaseIdx, | ||
| 534 | int compIdx) | ||
| 535 | { | ||
| 536 |
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4285540 | assert(0 <= phaseIdx && phaseIdx < numPhases); |
| 537 |
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4285540 | assert(0 <= compIdx && compIdx < numComponents); |
| 538 | |||
| 539 |
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4285540 | Scalar T = fluidState.temperature(phaseIdx); |
| 540 |
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4285540 | Scalar p = fluidState.pressure(phaseIdx); |
| 541 | |||
| 542 |
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4285540 | if (phaseIdx == liquidPhaseIdx) { |
| 543 |
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2142772 | if (compIdx == H2OIdx) |
| 544 | 1071386 | return vaporPressure(fluidState, compIdx)/p; | |
| 545 | 2142772 | return BinaryCoeff::H2O_Air::henry(T)/p; | |
| 546 | } | ||
| 547 | |||
| 548 | // for the gas phase, assume an ideal gas when it comes to | ||
| 549 | // fugacity (-> fugacity == partial pressure) | ||
| 550 | return 1.0; | ||
| 551 | } | ||
| 552 | |||
| 553 | /*! | ||
| 554 | * \brief Returns the relative humidity of the gas phase. | ||
| 555 | * | ||
| 556 | * The relative humidity is the ratio of the partial pressure of water vapor | ||
| 557 | * to the equilibrium vapor pressure of water at a given temperature. | ||
| 558 | */ | ||
| 559 | template <class FluidState> | ||
| 560 | static Scalar relativeHumidity(const FluidState &fluidState) | ||
| 561 | { | ||
| 562 | return fluidState.partialPressure(gasPhaseIdx, comp0Idx) | ||
| 563 | / H2O::vaporPressure(fluidState.temperature(gasPhaseIdx)); | ||
| 564 | } | ||
| 565 | |||
| 566 | using Base<Scalar, ThisType>::diffusionCoefficient; | ||
| 567 | //! \copydoc Base<Scalar,ThisType>::diffusionCoefficient(const FluidState&,int,int) | ||
| 568 | template <class FluidState> | ||
| 569 | 52 | static Scalar diffusionCoefficient(const FluidState &fluidState, | |
| 570 | int phaseIdx, | ||
| 571 | int compIdx) | ||
| 572 | { | ||
| 573 |
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572 | DUNE_THROW(Dune::NotImplemented, "FluidSystems::H2OAir::diffusionCoefficient()"); |
| 574 | } | ||
| 575 | |||
| 576 | using Base<Scalar, ThisType>::binaryDiffusionCoefficient; | ||
| 577 | //! \copydoc Base<Scalar,ThisType>::binaryDiffusionCoefficient(const FluidState&,int,int,int) | ||
| 578 | template <class FluidState> | ||
| 579 | 61135646 | static Scalar binaryDiffusionCoefficient(const FluidState &fluidState, | |
| 580 | int phaseIdx, | ||
| 581 | int compIIdx, | ||
| 582 | int compJIdx) | ||
| 583 | { | ||
| 584 | using std::swap; | ||
| 585 |
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61135646 | if (compIIdx > compJIdx) |
| 586 | 40174444 | swap(compIIdx, compJIdx); | |
| 587 | |||
| 588 |
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61135646 | Scalar T = fluidState.temperature(phaseIdx); |
| 589 |
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61135646 | Scalar p = fluidState.pressure(phaseIdx); |
| 590 | |||
| 591 | // we are in the liquid phase | ||
| 592 |
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61135646 | if (phaseIdx == liquidPhaseIdx) |
| 593 | { | ||
| 594 |
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20563412 | if (compIIdx == H2OIdx && compJIdx == AirIdx) |
| 595 | 41126768 | return BinaryCoeff::H2O_Air::liquidDiffCoeff(T, p); | |
| 596 | else | ||
| 597 |
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392 | DUNE_THROW(Dune::InvalidStateException, |
| 598 | "Binary diffusion coefficient of components " | ||
| 599 | << compIIdx << " and " << compJIdx | ||
| 600 | << " in phase " << phaseIdx << " is undefined!\n"); | ||
| 601 | } | ||
| 602 | |||
| 603 | // we are in the gas phase | ||
| 604 |
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40572234 | else if (phaseIdx == gasPhaseIdx) |
| 605 | { | ||
| 606 |
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40572234 | if (compIIdx == H2OIdx && compJIdx == AirIdx) |
| 607 | 81144420 | return BinaryCoeff::H2O_Air::gasDiffCoeff(T, p); | |
| 608 | else | ||
| 609 |
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336 | DUNE_THROW(Dune::InvalidStateException, |
| 610 | "Binary diffusion coefficient of components " | ||
| 611 | << compIIdx << " and " << compJIdx | ||
| 612 | << " in phase " << phaseIdx << " is undefined!\n"); | ||
| 613 | } | ||
| 614 | |||
| 615 | ✗ | DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx); | |
| 616 | } | ||
| 617 | |||
| 618 | using Base<Scalar, ThisType>::enthalpy; | ||
| 619 | /*! | ||
| 620 | * \brief Given a phase's composition, temperature and pressure, | ||
| 621 | * return its specific enthalpy \f$\mathrm{[J/kg]}\f$. | ||
| 622 | * \param fluidState An arbitrary fluid state | ||
| 623 | * \param phaseIdx The index of the fluid phase to consider | ||
| 624 | * | ||
| 625 | * See: | ||
| 626 | * Class 2001: | ||
| 627 | * Theorie und numerische Modellierung nichtisothermer Mehrphasenprozesse in NAPL-kontaminierten porösen Medien | ||
| 628 | * Chapter 2.1.13 Innere Energie, Wäremekapazität, Enthalpie \cite A3:class:2001 <BR> | ||
| 629 | * | ||
| 630 | * Formula (2.42): | ||
| 631 | * the specific enthalpy of a gasphase result from the sum of (enthalpies*mass fraction) of the components | ||
| 632 | * | ||
| 633 | * \todo This system neglects the contribution of gas-molecules in the liquid phase. | ||
| 634 | * This contribution is probably not big. Somebody would have to find out the enthalpy of solution for this system. ... | ||
| 635 | */ | ||
| 636 | template <class FluidState> | ||
| 637 | 33575869 | static Scalar enthalpy(const FluidState &fluidState, | |
| 638 | int phaseIdx) | ||
| 639 | { | ||
| 640 |
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33575869 | const Scalar T = fluidState.temperature(phaseIdx); |
| 641 |
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33575869 | const Scalar p = fluidState.pressure(phaseIdx); |
| 642 | |||
| 643 |
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33575869 | if (phaseIdx == liquidPhaseIdx) |
| 644 | 6751403 | return H2O::liquidEnthalpy(T, p); | |
| 645 | |||
| 646 |
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26824466 | else if (phaseIdx == gasPhaseIdx) |
| 647 | 26824466 | return H2O::gasEnthalpy(T, p)*fluidState.massFraction(gasPhaseIdx, H2OIdx) | |
| 648 | 53650882 | + Air::gasEnthalpy(T, p)*fluidState.massFraction(gasPhaseIdx, AirIdx); | |
| 649 | |||
| 650 | ✗ | DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx); | |
| 651 | } | ||
| 652 | |||
| 653 | /*! | ||
| 654 | * \brief Returns the specific enthalpy \f$\mathrm{[J/kg]}\f$ of a component in a specific phase | ||
| 655 | * \param fluidState An arbitrary fluid state | ||
| 656 | * \param phaseIdx The index of the fluid phase to consider | ||
| 657 | * \param componentIdx The index of the component to consider | ||
| 658 | * | ||
| 659 | */ | ||
| 660 | template <class FluidState> | ||
| 661 | 63585436 | static Scalar componentEnthalpy(const FluidState &fluidState, | |
| 662 | int phaseIdx, | ||
| 663 | int componentIdx) | ||
| 664 | { | ||
| 665 |
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63585436 | const Scalar T = fluidState.temperature(phaseIdx); |
| 666 |
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63585436 | const Scalar p = fluidState.pressure(phaseIdx); |
| 667 | |||
| 668 |
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63585436 | if (phaseIdx == liquidPhaseIdx) |
| 669 | { | ||
| 670 | // the liquid enthalpy is constant | ||
| 671 | 7884800 | return H2O::liquidEnthalpy(T, p); | |
| 672 | } | ||
| 673 |
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55700636 | else if (phaseIdx == gasPhaseIdx) |
| 674 | { | ||
| 675 |
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55700636 | if (componentIdx == H2OIdx) |
| 676 | { | ||
| 677 | 27850318 | return H2O::gasEnthalpy(T, p); | |
| 678 | } | ||
| 679 |
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27850318 | else if (componentIdx == AirIdx) |
| 680 | { | ||
| 681 | 55700636 | return Air::gasEnthalpy(T, p); | |
| 682 | } | ||
| 683 | ✗ | DUNE_THROW(Dune::InvalidStateException, "Invalid component index " << componentIdx); | |
| 684 | } | ||
| 685 | ✗ | DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx); | |
| 686 | } | ||
| 687 | |||
| 688 | using Base<Scalar, ThisType>::thermalConductivity; | ||
| 689 | /*! | ||
| 690 | * \brief Thermal conductivity of a fluid phase \f$\mathrm{[W/(m K)]}\f$. | ||
| 691 | * \param fluidState An arbitrary fluid state | ||
| 692 | * \param phaseIdx The index of the fluid phase to consider | ||
| 693 | * | ||
| 694 | * Use the conductivity of air and water as a first approximation. | ||
| 695 | * Source: | ||
| 696 | * http://en.wikipedia.org/wiki/List_of_thermal_conductivities | ||
| 697 | */ | ||
| 698 | template <class FluidState> | ||
| 699 | 5885176 | static Scalar thermalConductivity(const FluidState &fluidState, | |
| 700 | int phaseIdx) | ||
| 701 | { | ||
| 702 |
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5885176 | assert(0 <= phaseIdx && phaseIdx < numPhases); |
| 703 | |||
| 704 |
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59755938 | const Scalar temperature = fluidState.temperature(phaseIdx) ; |
| 705 |
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112612396 | const Scalar pressure = fluidState.pressure(phaseIdx); |
| 706 |
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6897880 | if (phaseIdx == liquidPhaseIdx) |
| 707 | { | ||
| 708 | 5324499 | return H2O::liquidThermalConductivity(temperature, pressure); | |
| 709 | } | ||
| 710 | else if (phaseIdx == gasPhaseIdx) | ||
| 711 | { | ||
| 712 | return Air::gasThermalConductivity(temperature, pressure); | ||
| 713 | } | ||
| 714 | else | ||
| 715 | DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx); | ||
| 716 | } | ||
| 717 | |||
| 718 | using Base<Scalar, ThisType>::heatCapacity; | ||
| 719 | /*! | ||
| 720 | * \brief Specific isobaric heat capacity of a fluid phase. | ||
| 721 | * \f$\mathrm{[J/(kg*K)}\f$. | ||
| 722 | * | ||
| 723 | * \todo Check whether the gas phase enthalpy is a linear mixture of the component | ||
| 724 | * enthalpies and the mole fractions is a good assumption. | ||
| 725 | * | ||
| 726 | * \param fluidState An arbitrary fluid state | ||
| 727 | * \param phaseIdx for which phase to give back the heat capacity | ||
| 728 | */ | ||
| 729 | template <class FluidState> | ||
| 730 | 18189503 | static Scalar heatCapacity(const FluidState &fluidState, | |
| 731 | int phaseIdx) | ||
| 732 | { | ||
| 733 |
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18189503 | const Scalar temperature = fluidState.temperature(phaseIdx); |
| 734 |
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18189503 | const Scalar pressure = fluidState.pressure(phaseIdx); |
| 735 |
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18189503 | if (phaseIdx == liquidPhaseIdx) |
| 736 | { | ||
| 737 | // influence of air is neglected | ||
| 738 | 5 | return H2O::liquidHeatCapacity(temperature, pressure); | |
| 739 | } | ||
| 740 |
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18189496 | else if (phaseIdx == gasPhaseIdx) |
| 741 | { | ||
| 742 | 18189496 | return Air::gasHeatCapacity(temperature, pressure) * fluidState.moleFraction(gasPhaseIdx, AirIdx) | |
| 743 | 36378986 | + H2O::gasHeatCapacity(temperature, pressure) * fluidState.moleFraction(gasPhaseIdx, H2OIdx); | |
| 744 | } | ||
| 745 | else | ||
| 746 | ✗ | DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx); | |
| 747 | } | ||
| 748 | }; | ||
| 749 | |||
| 750 | } // end namespace FluidSystems | ||
| 751 | } // end namespace Dumux | ||
| 752 | |||
| 753 | #endif | ||
| 754 |