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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::H2ON2 | ||
| 11 | */ | ||
| 12 | #ifndef DUMUX_H2O_N2_FLUID_SYSTEM_HH | ||
| 13 | #define DUMUX_H2O_N2_FLUID_SYSTEM_HH | ||
| 14 | |||
| 15 | #include <cassert> | ||
| 16 | #include <iomanip> | ||
| 17 | |||
| 18 | #include <dumux/common/exceptions.hh> | ||
| 19 | |||
| 20 | #include <dumux/material/idealgas.hh> | ||
| 21 | |||
| 22 | #include <dumux/material/components/n2.hh> | ||
| 23 | #include <dumux/material/components/h2o.hh> | ||
| 24 | #include <dumux/material/components/tabulatedcomponent.hh> | ||
| 25 | #include <dumux/material/binarycoefficients/h2o_n2.hh> | ||
| 26 | |||
| 27 | #include <dumux/io/name.hh> | ||
| 28 | |||
| 29 | #include "base.hh" | ||
| 30 | |||
| 31 | namespace Dumux::FluidSystems { | ||
| 32 | |||
| 33 | /*! | ||
| 34 | * \ingroup FluidSystems | ||
| 35 | * \brief Policy for the H2O-N2 fluid system | ||
| 36 | */ | ||
| 37 | template<bool fastButSimplifiedRelations = false> | ||
| 38 | struct H2ON2DefaultPolicy | ||
| 39 | { | ||
| 40 | static constexpr bool useH2ODensityAsLiquidMixtureDensity() { return fastButSimplifiedRelations; } | ||
| 41 | static constexpr bool useIdealGasDensity() { return fastButSimplifiedRelations; } | ||
| 42 | static constexpr bool useN2ViscosityAsGasMixtureViscosity() { return fastButSimplifiedRelations; } | ||
| 43 | static constexpr bool useN2HeatConductivityAsGasMixtureHeatConductivity() { return fastButSimplifiedRelations; } | ||
| 44 | static constexpr bool useIdealGasHeatCapacities() { return fastButSimplifiedRelations; } | ||
| 45 | }; | ||
| 46 | |||
| 47 | /*! | ||
| 48 | * \ingroup FluidSystems | ||
| 49 | * | ||
| 50 | * \brief A two-phase fluid system with two components water \f$(\mathrm{H_2O})\f$ | ||
| 51 | * Nitrogen \f$(\mathrm{N_2})\f$ for non-equilibrium models. | ||
| 52 | */ | ||
| 53 | template <class Scalar, class Policy = H2ON2DefaultPolicy<>> | ||
| 54 | class H2ON2 | ||
| 55 | : public Base<Scalar, H2ON2<Scalar, Policy> > | ||
| 56 | { | ||
| 57 | using ThisType = H2ON2<Scalar, Policy>; | ||
| 58 | |||
| 59 | // convenience aliases using declarations | ||
| 60 | using IdealGas = Dumux::IdealGas<Scalar>; | ||
| 61 | using TabulatedH2O = Components::TabulatedComponent<Dumux::Components::H2O<Scalar> >; | ||
| 62 | using SimpleN2 = Dumux::Components::N2<Scalar>; | ||
| 63 | |||
| 64 | public: | ||
| 65 | using H2O = TabulatedH2O; //!< The component for pure water | ||
| 66 | using N2 = SimpleN2; //!< The component for pure nitrogen | ||
| 67 | |||
| 68 | static constexpr int numPhases = 2; //!< Number of phases in the fluid system | ||
| 69 | static constexpr int numComponents = 2; //!< Number of components in the fluid system | ||
| 70 | |||
| 71 | static constexpr int liquidPhaseIdx = 0; //!< index of the liquid phase | ||
| 72 | static constexpr int gasPhaseIdx = 1; //!< index of the gas phase | ||
| 73 | static constexpr int phase0Idx = liquidPhaseIdx; //!< index of the first phase | ||
| 74 | static constexpr int phase1Idx = gasPhaseIdx; //!< index of the second phase | ||
| 75 | |||
| 76 | static constexpr int H2OIdx = 0; | ||
| 77 | static constexpr int N2Idx = 1; | ||
| 78 | static constexpr int comp0Idx = H2OIdx; //!< index of the first component | ||
| 79 | static constexpr int comp1Idx = N2Idx; //!< index of the second component | ||
| 80 | static constexpr int liquidCompIdx = H2OIdx; //!< index of the liquid component | ||
| 81 | static constexpr int gasCompIdx = N2Idx; //!< index of the gas component | ||
| 82 | |||
| 83 | /**************************************** | ||
| 84 | * Fluid phase related static parameters | ||
| 85 | ****************************************/ | ||
| 86 | /*! | ||
| 87 | * \brief Return the human readable name of a fluid phase | ||
| 88 | * | ||
| 89 | * \param phaseIdx The index of the fluid phase to consider | ||
| 90 | */ | ||
| 91 | 936 | static std::string phaseName(int phaseIdx) | |
| 92 | { | ||
| 93 |
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490 | assert(0 <= phaseIdx && phaseIdx < numPhases); |
| 94 |
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490 | switch (phaseIdx) |
| 95 | { | ||
| 96 | 278 | case liquidPhaseIdx: return IOName::liquidPhase(); | |
| 97 | 212 | case gasPhaseIdx: return IOName::gaseousPhase(); | |
| 98 | } | ||
| 99 | DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx); | ||
| 100 | } | ||
| 101 | |||
| 102 | /*! | ||
| 103 | * \brief Returns whether the fluids are miscible | ||
| 104 | */ | ||
| 105 | static constexpr bool isMiscible() | ||
| 106 | { return true; } | ||
| 107 | |||
| 108 | /*! | ||
| 109 | * \brief Return whether a phase is gaseous | ||
| 110 | * | ||
| 111 | * \param phaseIdx The index of the fluid phase to consider | ||
| 112 | */ | ||
| 113 | 99336 | static constexpr bool isGas(int phaseIdx) | |
| 114 | { | ||
| 115 |
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99336 | assert(0 <= phaseIdx && phaseIdx < numPhases); |
| 116 |
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99336 | return phaseIdx == gasPhaseIdx; |
| 117 | } | ||
| 118 | |||
| 119 | /*! | ||
| 120 | * \brief Returns true if and only if a fluid phase is assumed to | ||
| 121 | * be an ideal mixture. | ||
| 122 | * | ||
| 123 | * We define an ideal mixture as a fluid phase where the fugacity | ||
| 124 | * coefficients of all components times the pressure of the phase | ||
| 125 | * are independent on the fluid composition. This assumption is true | ||
| 126 | * if Henry's law and Raoult's law apply. If you are unsure what | ||
| 127 | * this function should return, it is safe to return false. The | ||
| 128 | * only damage done will be (slightly) increased computation times | ||
| 129 | * in some cases. | ||
| 130 | * | ||
| 131 | * \param phaseIdx The index of the fluid phase to consider | ||
| 132 | */ | ||
| 133 | 15071263 | static bool isIdealMixture(int phaseIdx) | |
| 134 | { | ||
| 135 |
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15070937 | assert(0 <= phaseIdx && phaseIdx < numPhases); |
| 136 | // we assume Henry's and Raoult's laws for the water phase and | ||
| 137 | // and no interaction between gas molecules of different | ||
| 138 | // components, so all phases are ideal mixtures! | ||
| 139 | return true; | ||
| 140 | } | ||
| 141 | |||
| 142 | /*! | ||
| 143 | * \brief Returns true if and only if a fluid phase is assumed to | ||
| 144 | * be compressible. | ||
| 145 | * | ||
| 146 | * Compressible means that the partial derivative of the density | ||
| 147 | * to the fluid pressure is always larger than zero. | ||
| 148 | * | ||
| 149 | * \param phaseIdx The index of the fluid phase to consider | ||
| 150 | */ | ||
| 151 | static constexpr bool isCompressible(int phaseIdx) | ||
| 152 | { | ||
| 153 | assert(0 <= phaseIdx && phaseIdx < numPhases); | ||
| 154 | // gases are always compressible | ||
| 155 | if (phaseIdx == gasPhaseIdx) | ||
| 156 | return true; | ||
| 157 | // the water component decides for the liquid phase... | ||
| 158 | return H2O::liquidIsCompressible(); | ||
| 159 | } | ||
| 160 | |||
| 161 | /*! | ||
| 162 | * \brief Returns true if and only if a fluid phase is assumed to | ||
| 163 | * be an ideal gas. | ||
| 164 | * | ||
| 165 | * \param phaseIdx The index of the fluid phase to consider | ||
| 166 | */ | ||
| 167 | static bool isIdealGas(int phaseIdx) | ||
| 168 | { | ||
| 169 | assert(0 <= phaseIdx && phaseIdx < numPhases); | ||
| 170 | |||
| 171 | if (phaseIdx == gasPhaseIdx) | ||
| 172 | // let the components decide | ||
| 173 | return H2O::gasIsIdeal() && N2::gasIsIdeal(); | ||
| 174 | return false; // not a gas | ||
| 175 | } | ||
| 176 | |||
| 177 | /**************************************** | ||
| 178 | * Component related static parameters | ||
| 179 | ****************************************/ | ||
| 180 | /*! | ||
| 181 | * \brief Return the human readable name of a component | ||
| 182 | * | ||
| 183 | * \param compIdx The index of the component to consider | ||
| 184 | */ | ||
| 185 | 380 | static std::string componentName(int compIdx) | |
| 186 | { | ||
| 187 |
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380 | switch (compIdx) |
| 188 | { | ||
| 189 | 191 | case H2OIdx: return H2O::name(); | |
| 190 | 189 | case N2Idx: return N2::name(); | |
| 191 | } | ||
| 192 | |||
| 193 | ✗ | DUNE_THROW(Dune::InvalidStateException, "Invalid component index " << compIdx); | |
| 194 | } | ||
| 195 | |||
| 196 | /*! | ||
| 197 | * \brief Return the molar mass of a component in \f$\mathrm{[kg/mol]}\f$. | ||
| 198 | * | ||
| 199 | * \param compIdx The index of the component to consider | ||
| 200 | */ | ||
| 201 | 1118345125 | static Scalar molarMass(int compIdx) | |
| 202 | { | ||
| 203 | static const Scalar M[] = { | ||
| 204 | H2O::molarMass(), | ||
| 205 | N2::molarMass(), | ||
| 206 | }; | ||
| 207 | |||
| 208 |
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560599343 | assert(0 <= compIdx && compIdx < numComponents); |
| 209 |
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585064540 | return M[compIdx]; |
| 210 | } | ||
| 211 | |||
| 212 | /*! | ||
| 213 | * \brief Critical temperature of a component \f$\mathrm{[K]}\f$. | ||
| 214 | * | ||
| 215 | * \param compIdx The index of the component to consider | ||
| 216 | */ | ||
| 217 | static Scalar criticalTemperature(int compIdx) | ||
| 218 | { | ||
| 219 | static const Scalar Tcrit[] = { | ||
| 220 | H2O::criticalTemperature(), | ||
| 221 | N2::criticalTemperature() | ||
| 222 | }; | ||
| 223 | |||
| 224 | assert(0 <= compIdx && compIdx < numComponents); | ||
| 225 | return Tcrit[compIdx]; | ||
| 226 | } | ||
| 227 | |||
| 228 | /*! | ||
| 229 | * \brief Critical pressure of a component \f$\mathrm{[Pa]}\f$. | ||
| 230 | * | ||
| 231 | * \param compIdx The index of the component to consider | ||
| 232 | */ | ||
| 233 | static Scalar criticalPressure(int compIdx) | ||
| 234 | { | ||
| 235 | static const Scalar pcrit[] = { | ||
| 236 | H2O::criticalPressure(), | ||
| 237 | N2::criticalPressure() | ||
| 238 | }; | ||
| 239 | |||
| 240 | assert(0 <= compIdx && compIdx < numComponents); | ||
| 241 | return pcrit[compIdx]; | ||
| 242 | } | ||
| 243 | |||
| 244 | /*! | ||
| 245 | * \brief Vapor pressure including the Kelvin equation in \f$\mathrm{[Pa]}\f$ | ||
| 246 | * | ||
| 247 | * Calculate the decreased vapor pressure due to capillarity | ||
| 248 | * | ||
| 249 | * \param fluidState An arbitrary fluid state | ||
| 250 | * \param phaseIdx The index of the fluid phase to consider | ||
| 251 | * \param compIdx The index of the component to consider | ||
| 252 | */ | ||
| 253 | template <class FluidState> | ||
| 254 | static Scalar kelvinVaporPressure(const FluidState &fluidState, | ||
| 255 | const int phaseIdx, | ||
| 256 | const int compIdx) | ||
| 257 | { | ||
| 258 | assert(compIdx == H2OIdx && phaseIdx == liquidPhaseIdx); | ||
| 259 | |||
| 260 | using std::exp; | ||
| 261 | return fugacityCoefficient(fluidState, phaseIdx, compIdx) | ||
| 262 | * fluidState.pressure(phaseIdx) | ||
| 263 | * exp(-(fluidState.pressure(gasPhaseIdx)-fluidState.pressure(liquidPhaseIdx)) | ||
| 264 | / density(fluidState, phaseIdx) | ||
| 265 | / (Dumux::Constants<Scalar>::R / molarMass(compIdx)) | ||
| 266 | / fluidState.temperature()); | ||
| 267 | } | ||
| 268 | |||
| 269 | /*! | ||
| 270 | * \brief Molar volume of a component at the critical point \f$\mathrm{[m^3/mol]}\f$. | ||
| 271 | * | ||
| 272 | * \param compIdx The index of the component to consider | ||
| 273 | */ | ||
| 274 | static Scalar criticalMolarVolume(int compIdx) | ||
| 275 | { | ||
| 276 | DUNE_THROW(Dune::NotImplemented, | ||
| 277 | "H2ON2FluidSystem::criticalMolarVolume()"); | ||
| 278 | } | ||
| 279 | |||
| 280 | /*! | ||
| 281 | * \brief The acentric factor of a component \f$\mathrm{[-]}\f$. | ||
| 282 | * | ||
| 283 | * \param compIdx The index of the component to consider | ||
| 284 | */ | ||
| 285 | static Scalar acentricFactor(int compIdx) | ||
| 286 | { | ||
| 287 | static const Scalar accFac[] = { | ||
| 288 | H2O::acentricFactor(), | ||
| 289 | N2::acentricFactor() | ||
| 290 | }; | ||
| 291 | |||
| 292 | assert(0 <= compIdx && compIdx < numComponents); | ||
| 293 | return accFac[compIdx]; | ||
| 294 | } | ||
| 295 | |||
| 296 | /**************************************** | ||
| 297 | * thermodynamic relations | ||
| 298 | ****************************************/ | ||
| 299 | |||
| 300 | /*! | ||
| 301 | * \brief Initialize the fluid system's static parameters generically | ||
| 302 | * | ||
| 303 | * If a tabulated H2O component is used, we do our best to create | ||
| 304 | * tables that always work. | ||
| 305 | */ | ||
| 306 | 55 | static void init() | |
| 307 | { | ||
| 308 |
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55 | init(/*tempMin=*/273.15, |
| 309 | /*tempMax=*/623.15, | ||
| 310 | /*numTemp=*/100, | ||
| 311 | /*pMin=*/0.0, | ||
| 312 | /*pMax=*/20e6, | ||
| 313 | /*numP=*/200); | ||
| 314 | 11 | } | |
| 315 | |||
| 316 | /*! | ||
| 317 | * \brief Initialize the fluid system's static parameters using | ||
| 318 | * problem specific temperature and pressure ranges | ||
| 319 | * | ||
| 320 | * \param tempMin The minimum temperature used for tabulation of water \f$\mathrm{[K]}\f$ | ||
| 321 | * \param tempMax The maximum temperature used for tabulation of water \f$\mathrm{[K]}\f$ | ||
| 322 | * \param nTemp The number of ticks on the temperature axis of the table of water | ||
| 323 | * \param pressMin The minimum pressure used for tabulation of water \f$\mathrm{[Pa]}\f$ | ||
| 324 | * \param pressMax The maximum pressure used for tabulation of water \f$\mathrm{[Pa]}\f$ | ||
| 325 | * \param nPress The number of ticks on the pressure axis of the table of water | ||
| 326 | */ | ||
| 327 | 81 | static void init(Scalar tempMin, Scalar tempMax, unsigned nTemp, | |
| 328 | Scalar pressMin, Scalar pressMax, unsigned nPress) | ||
| 329 | { | ||
| 330 | 81 | std::cout << "The H2O-N2 fluid system was configured with the following policy:\n"; | |
| 331 | 81 | std::cout << " - use H2O density as liquid mixture density: " << std::boolalpha << Policy::useH2ODensityAsLiquidMixtureDensity() << "\n"; | |
| 332 | 81 | std::cout << " - use ideal gas density: " << std::boolalpha << Policy::useIdealGasDensity() << "\n"; | |
| 333 | 81 | std::cout << " - use N2 viscosity as gas mixture viscosity: " << std::boolalpha << Policy::useN2ViscosityAsGasMixtureViscosity() << "\n"; | |
| 334 | 81 | std::cout << " - use N2 heat conductivity as gas mixture heat conductivity: " << std::boolalpha << Policy::useN2HeatConductivityAsGasMixtureHeatConductivity() << "\n"; | |
| 335 | 81 | std::cout << " - use ideal gas heat capacities: " << std::boolalpha << Policy::useIdealGasHeatCapacities() << std::endl; | |
| 336 | |||
| 337 | if constexpr (H2O::isTabulated) | ||
| 338 | 81 | H2O::init(tempMin, tempMax, nTemp, pressMin, pressMax, nPress); | |
| 339 | 81 | } | |
| 340 | |||
| 341 | using Base<Scalar, ThisType>::density; | ||
| 342 | /*! | ||
| 343 | * \brief Given a phase's composition, temperature, pressure, and | ||
| 344 | * the partial pressures of all components, return its | ||
| 345 | * density \f$\mathrm{[kg/m^3]}\f$. | ||
| 346 | * | ||
| 347 | * If Policy::useH2ODensityAsLiquidMixtureDensity() == false, we apply Eq. (7) | ||
| 348 | * in Class et al. (2002a) \cite A3:class:2002b <BR> | ||
| 349 | * for the liquid density. | ||
| 350 | * | ||
| 351 | * \param fluidState An arbitrary fluid state | ||
| 352 | * \param phaseIdx The index of the fluid phase to consider | ||
| 353 | */ | ||
| 354 | template <class FluidState> | ||
| 355 | 55007568 | static Scalar density(const FluidState &fluidState, | |
| 356 | int phaseIdx) | ||
| 357 | { | ||
| 358 |
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37542860 | assert(0 <= phaseIdx && phaseIdx < numPhases); |
| 359 | |||
| 360 |
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55007568 | Scalar T = fluidState.temperature(phaseIdx); |
| 361 | 55007568 | Scalar p = fluidState.pressure(phaseIdx); | |
| 362 | |||
| 363 | // liquid phase | ||
| 364 |
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37542860 | if (phaseIdx == liquidPhaseIdx) { |
| 365 | if (Policy::useH2ODensityAsLiquidMixtureDensity()) | ||
| 366 | // assume pure water | ||
| 367 | 24508456 | return H2O::liquidDensity(T, p); | |
| 368 | else | ||
| 369 | { | ||
| 370 | // See: Eq. (7) in Class et al. (2002a) | ||
| 371 | // This assumes each gas molecule displaces exactly one | ||
| 372 | // molecule in the liquid. | ||
| 373 | 11612628 | return H2O::liquidMolarDensity(T, p) | |
| 374 | 11612494 | * (H2O::molarMass()*fluidState.moleFraction(liquidPhaseIdx, H2OIdx) | |
| 375 | 11612628 | + N2::molarMass()*fluidState.moleFraction(liquidPhaseIdx, N2Idx)); | |
| 376 | } | ||
| 377 | } | ||
| 378 | |||
| 379 | // gas phase | ||
| 380 | using std::max; | ||
| 381 | if (Policy::useIdealGasDensity()) | ||
| 382 | // for the gas phase assume an ideal gas | ||
| 383 | { | ||
| 384 | 7249032 | const Scalar averageMolarMass = fluidState.averageMolarMass(gasPhaseIdx); | |
| 385 | 7249032 | return IdealGas::density(averageMolarMass, T, p); | |
| 386 | } | ||
| 387 | |||
| 388 | // assume ideal mixture: steam and nitrogen don't "see" each other | ||
| 389 | 11637460 | Scalar rho_gH2O = H2O::gasDensity(T, fluidState.partialPressure(gasPhaseIdx, H2OIdx)); | |
| 390 | 11637460 | Scalar rho_gN2 = N2::gasDensity(T, fluidState.partialPressure(gasPhaseIdx, N2Idx)); | |
| 391 | 11637460 | return (rho_gH2O + rho_gN2); | |
| 392 | } | ||
| 393 | |||
| 394 | using Base<Scalar, ThisType>::molarDensity; | ||
| 395 | //! \copydoc Dumux::FluidSystems::Base<Scalar,ThisType>::molarDensity(const FluidState&,int) | ||
| 396 | template <class FluidState> | ||
| 397 | 50390042 | static Scalar molarDensity(const FluidState &fluidState, int phaseIdx) | |
| 398 | { | ||
| 399 |
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32925334 | assert(0 <= phaseIdx && phaseIdx < numPhases); |
| 400 | |||
| 401 |
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50390042 | Scalar T = fluidState.temperature(phaseIdx); |
| 402 | 50390042 | Scalar p = fluidState.pressure(phaseIdx); | |
| 403 | |||
| 404 | // liquid phase | ||
| 405 |
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32925334 | if (phaseIdx == liquidPhaseIdx) |
| 406 | { | ||
| 407 | // assume pure water or that each gas molecule displaces exactly one | ||
| 408 | // molecule in the liquid. | ||
| 409 | 33812321 | return H2O::liquidMolarDensity(T, p); | |
| 410 | } | ||
| 411 | |||
| 412 | // gas phase | ||
| 413 | using std::max; | ||
| 414 | if (Policy::useIdealGasDensity()) | ||
| 415 | // for the gas phase assume an ideal gas | ||
| 416 | { | ||
| 417 | 4940269 | return IdealGas::molarDensity(T, p); | |
| 418 | } | ||
| 419 | |||
| 420 | // assume ideal mixture: steam and nitrogen don't "see" each other | ||
| 421 | 11637460 | Scalar rho_gH2O = H2O::gasMolarDensity(T, fluidState.partialPressure(gasPhaseIdx, H2OIdx)); | |
| 422 | 11637460 | Scalar rho_gN2 = N2::gasMolarDensity(T, fluidState.partialPressure(gasPhaseIdx, N2Idx)); | |
| 423 | 11637460 | return rho_gH2O + rho_gN2; | |
| 424 | } | ||
| 425 | |||
| 426 | using Base<Scalar, ThisType>::viscosity; | ||
| 427 | /*! | ||
| 428 | * \brief Calculate the dynamic viscosity of a fluid phase \f$\mathrm{[Pa*s]}\f$ | ||
| 429 | * | ||
| 430 | * Compositional effects in the gas phase are accounted by the Wilke method. | ||
| 431 | * See Reid et al. (1987) \cite reid1987 <BR> | ||
| 432 | * 4th edition, McGraw-Hill, 1987, 407-410 | ||
| 433 | * 5th edition, McGraw-Hill, 20001, p. 9.21/22 | ||
| 434 | * | ||
| 435 | * \param fluidState An arbitrary fluid state | ||
| 436 | * \param phaseIdx The index of the fluid phase to consider | ||
| 437 | * \note Compositional effects for a liquid mixture have to be implemented. | ||
| 438 | */ | ||
| 439 | template <class FluidState> | ||
| 440 | 51686242 | static Scalar viscosity(const FluidState &fluidState, | |
| 441 | int phaseIdx) | ||
| 442 | { | ||
| 443 |
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34266081 | assert(0 <= phaseIdx && phaseIdx < numPhases); |
| 444 | |||
| 445 |
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51686244 | Scalar T = fluidState.temperature(phaseIdx); |
| 446 | 51686252 | Scalar p = fluidState.pressure(phaseIdx); | |
| 447 | |||
| 448 | // liquid phase | ||
| 449 |
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34266081 | if (phaseIdx == liquidPhaseIdx) { |
| 450 | // assume pure water for the liquid phase | ||
| 451 | 35079553 | return H2O::liquidViscosity(T, p); | |
| 452 | } | ||
| 453 | |||
| 454 | // gas phase | ||
| 455 | if (Policy::useN2ViscosityAsGasMixtureViscosity()) | ||
| 456 | { | ||
| 457 | // assume pure nitrogen for the gas phase | ||
| 458 | 4969373 | return N2::gasViscosity(T, p); | |
| 459 | } | ||
| 460 | else | ||
| 461 | { | ||
| 462 | // Wilke method (Reid et al.): | ||
| 463 | 11637326 | Scalar muResult = 0; | |
| 464 | 23274652 | const Scalar mu[numComponents] = { | |
| 465 | 11637326 | h2oGasViscosityInMixture(T, p), | |
| 466 | 11637326 | N2::gasViscosity(T, p) | |
| 467 | }; | ||
| 468 | |||
| 469 | 11637326 | Scalar sumx = 0.0; | |
| 470 | using std::max; | ||
| 471 |
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34911978 | for (int compIdx = 0; compIdx < numComponents; ++compIdx) |
| 472 | 23274652 | sumx += fluidState.moleFraction(phaseIdx, compIdx); | |
| 473 |
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11637326 | sumx = max(1e-10, sumx); |
| 474 | |||
| 475 |
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34911978 | for (int i = 0; i < numComponents; ++i) { |
| 476 | Scalar divisor = 0; | ||
| 477 | // using std::sqrt; | ||
| 478 | // using std::pow; | ||
| 479 |
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69823956 | for (int j = 0; j < numComponents; ++j) { |
| 480 | 46549304 | Scalar phiIJ = 1 + sqrt(mu[i]/mu[j]) * pow(molarMass(j)/molarMass(i), 1/4.0); | |
| 481 | 46549304 | phiIJ *= phiIJ; | |
| 482 | 46549304 | phiIJ /= sqrt(8*(1 + molarMass(i)/molarMass(j))); | |
| 483 | 46549304 | divisor += fluidState.moleFraction(phaseIdx, j)/sumx * phiIJ; | |
| 484 | } | ||
| 485 | 23274652 | muResult += fluidState.moleFraction(phaseIdx, i)/sumx * mu[i] / divisor; | |
| 486 | } | ||
| 487 | |||
| 488 | return muResult; | ||
| 489 | } | ||
| 490 | } | ||
| 491 | |||
| 492 | using Base<Scalar, ThisType>::fugacityCoefficient; | ||
| 493 | //! \copydoc Dumux::FluidSystems::Base<Scalar,ThisType>::fugacityCoefficient(const FluidState&,int,int) | ||
| 494 | template <class FluidState> | ||
| 495 | 70164444 | static Scalar fugacityCoefficient(const FluidState &fluidState, | |
| 496 | int phaseIdx, | ||
| 497 | int compIdx) | ||
| 498 | { | ||
| 499 |
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70164460 | assert(0 <= phaseIdx && phaseIdx < numPhases); |
| 500 |
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70164460 | assert(0 <= compIdx && compIdx < numComponents); |
| 501 | |||
| 502 |
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70164468 | Scalar T = fluidState.temperature(phaseIdx); |
| 503 | 70164444 | Scalar p = fluidState.pressure(phaseIdx); | |
| 504 | |||
| 505 | // liquid phase | ||
| 506 |
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70164460 | if (phaseIdx == liquidPhaseIdx) { |
| 507 |
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35082234 | if (compIdx == H2OIdx) |
| 508 | 17541121 | return H2O::vaporPressure(T)/p; | |
| 509 | 17541121 | return BinaryCoeff::H2O_N2::henry(T)/p; | |
| 510 | } | ||
| 511 | |||
| 512 | // for the gas phase, assume an ideal gas when it comes to | ||
| 513 | // fugacity (-> fugacity == partial pressure) | ||
| 514 | return 1.0; | ||
| 515 | } | ||
| 516 | |||
| 517 | using Base<Scalar, ThisType>::diffusionCoefficient; | ||
| 518 | //! \copydoc Dumux::FluidSystems::Base<Scalar,ThisType>::diffusionCoefficient(const FluidState&,int,int) | ||
| 519 | template <class FluidState> | ||
| 520 | 32 | static Scalar diffusionCoefficient(const FluidState &fluidState, | |
| 521 | int phaseIdx, | ||
| 522 | int compIdx) | ||
| 523 | { | ||
| 524 |
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128 | DUNE_THROW(Dune::NotImplemented, "Diffusion coefficients"); |
| 525 | } | ||
| 526 | |||
| 527 | using Base<Scalar, ThisType>::binaryDiffusionCoefficient; | ||
| 528 | //! \copydoc Dumux::FluidSystems::Base<Scalar,ThisType>::binaryDiffusionCoefficient(const FluidState&,int,int,int) | ||
| 529 | template <class FluidState> | ||
| 530 | 55561647 | static Scalar binaryDiffusionCoefficient(const FluidState &fluidState, | |
| 531 | int phaseIdx, | ||
| 532 | int compIIdx, | ||
| 533 | int compJIdx) | ||
| 534 | |||
| 535 | { | ||
| 536 |
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55561647 | if (compIIdx > compJIdx) |
| 537 | { | ||
| 538 | using std::swap; | ||
| 539 | 18076708 | swap(compIIdx, compJIdx); | |
| 540 | } | ||
| 541 | |||
| 542 |
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55561647 | const Scalar T = fluidState.temperature(phaseIdx); |
| 543 | 55561647 | const Scalar p = fluidState.pressure(phaseIdx); | |
| 544 | |||
| 545 |
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55561647 | if (phaseIdx == liquidPhaseIdx && compIIdx == H2OIdx && compJIdx == N2Idx) |
| 546 | 36499167 | return BinaryCoeff::H2O_N2::liquidDiffCoeff(T, p); | |
| 547 | |||
| 548 |
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19062480 | else if (phaseIdx == gasPhaseIdx && compIIdx == H2OIdx && compJIdx == N2Idx) |
| 549 | 19062448 | return BinaryCoeff::H2O_N2::gasDiffCoeff(T, p); | |
| 550 | |||
| 551 | else | ||
| 552 |
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128 | DUNE_THROW(Dune::InvalidStateException, |
| 553 | "Binary diffusion coefficient of components " | ||
| 554 | << compIIdx << " and " << compJIdx | ||
| 555 | << " in phase " << phaseIdx << " is unavailable!\n"); | ||
| 556 | } | ||
| 557 | |||
| 558 | using Base<Scalar, ThisType>::enthalpy; | ||
| 559 | /*! | ||
| 560 | * \brief Given a phase's composition, temperature, pressure and | ||
| 561 | * density, calculate its specific enthalpy \f$\mathrm{[J/kg]}\f$. | ||
| 562 | * | ||
| 563 | * \note This fluid system neglects the contribution of | ||
| 564 | * gas-molecules in the liquid phase. This contribution is | ||
| 565 | * probably not big. Somebody would have to find out the | ||
| 566 | * enthalpy of solution for this system. ... | ||
| 567 | * | ||
| 568 | * \param fluidState An arbitrary fluid state | ||
| 569 | * \param phaseIdx The index of the fluid phase to consider | ||
| 570 | */ | ||
| 571 | template <class FluidState> | ||
| 572 |
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43477399 | static Scalar enthalpy(const FluidState &fluidState, |
| 573 | int phaseIdx) | ||
| 574 | { | ||
| 575 |
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43477399 | const Scalar T = fluidState.temperature(phaseIdx); |
| 576 | 43477399 | const Scalar p = fluidState.pressure(phaseIdx); | |
| 577 | |||
| 578 | // liquid phase | ||
| 579 |
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43477399 | if (phaseIdx == liquidPhaseIdx) { |
| 580 | 27330186 | return H2O::liquidEnthalpy(T, p); | |
| 581 | } | ||
| 582 | // gas phase | ||
| 583 | else { | ||
| 584 | // assume ideal mixture: which means | ||
| 585 | // that the total specific enthalpy is the sum of the | ||
| 586 | // "partial specific enthalpies" of the components. | ||
| 587 | 16147213 | Scalar hH2O = | |
| 588 | 16147213 | fluidState.massFraction(gasPhaseIdx, H2OIdx) | |
| 589 | 16147213 | * H2O::gasEnthalpy(T, p); | |
| 590 | 16147213 | Scalar hN2 = | |
| 591 | 16147213 | fluidState.massFraction(gasPhaseIdx, N2Idx) | |
| 592 | 16147213 | * N2::gasEnthalpy(T, p); | |
| 593 | 16147213 | return hH2O + hN2; | |
| 594 | } | ||
| 595 | } | ||
| 596 | |||
| 597 | /*! | ||
| 598 | * \brief Returns the specific enthalpy \f$\mathrm{[J/kg]}\f$ of a component in the specified phase | ||
| 599 | * \param fluidState The fluid state | ||
| 600 | * \param phaseIdx The index of the phase | ||
| 601 | * \param componentIdx The index of the component | ||
| 602 | */ | ||
| 603 | template <class FluidState> | ||
| 604 | static Scalar componentEnthalpy(const FluidState &fluidState, | ||
| 605 | int phaseIdx, | ||
| 606 | int componentIdx) | ||
| 607 | { | ||
| 608 | const Scalar T = fluidState.temperature(phaseIdx); | ||
| 609 | const Scalar p = fluidState.pressure(phaseIdx); | ||
| 610 | |||
| 611 | if (phaseIdx == liquidPhaseIdx) | ||
| 612 | { | ||
| 613 | if (componentIdx == H2OIdx) | ||
| 614 | return H2O::liquidEnthalpy(T, p); | ||
| 615 | else if (componentIdx == N2Idx) | ||
| 616 | DUNE_THROW(Dune::NotImplemented, "Component enthalpy of nitrogen in liquid phase"); | ||
| 617 | else | ||
| 618 | DUNE_THROW(Dune::InvalidStateException, "Invalid component index " << componentIdx); | ||
| 619 | } | ||
| 620 | else if (phaseIdx == gasPhaseIdx) | ||
| 621 | { | ||
| 622 | if (componentIdx == H2OIdx) | ||
| 623 | return H2O::gasEnthalpy(T, p); | ||
| 624 | else if (componentIdx == N2Idx) | ||
| 625 | return N2::gasEnthalpy(T, p); | ||
| 626 | else | ||
| 627 | DUNE_THROW(Dune::InvalidStateException, "Invalid component index " << componentIdx); | ||
| 628 | } | ||
| 629 | else | ||
| 630 | DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx); | ||
| 631 | } | ||
| 632 | |||
| 633 | using Base<Scalar, ThisType>::thermalConductivity; | ||
| 634 | /*! | ||
| 635 | * \brief Thermal conductivity of a fluid phase \f$\mathrm{[W/(m K)]}\f$. | ||
| 636 | * | ||
| 637 | * Use the conductivity of air and water as a first approximation. | ||
| 638 | * | ||
| 639 | * \param fluidState An arbitrary fluid state | ||
| 640 | * \param phaseIdx The index of the fluid phase to consider | ||
| 641 | */ | ||
| 642 | template <class FluidState> | ||
| 643 | 50071224 | static Scalar thermalConductivity(const FluidState &fluidState, | |
| 644 | const int phaseIdx) | ||
| 645 | { | ||
| 646 |
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35736744 | assert(0 <= phaseIdx && phaseIdx < numPhases); |
| 647 | |||
| 648 |
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51148548 | const Scalar temperature = fluidState.temperature(phaseIdx) ; |
| 649 | 50071226 | const Scalar pressure = fluidState.pressure(phaseIdx); | |
| 650 |
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35736744 | if (phaseIdx == liquidPhaseIdx) |
| 651 | { | ||
| 652 | 33256690 | return H2O::liquidThermalConductivity(temperature, pressure); | |
| 653 | } | ||
| 654 | else | ||
| 655 | { | ||
| 656 | 17353198 | Scalar lambdaPureN2 = N2::gasThermalConductivity(temperature, pressure); | |
| 657 | if (!Policy::useN2HeatConductivityAsGasMixtureHeatConductivity()) | ||
| 658 | { | ||
| 659 | 11637326 | Scalar xN2 = fluidState.moleFraction(phaseIdx, N2Idx); | |
| 660 | 11637326 | Scalar xH2O = fluidState.moleFraction(phaseIdx, H2OIdx); | |
| 661 | 11637326 | Scalar lambdaN2 = xN2 * lambdaPureN2; | |
| 662 | 11637326 | Scalar partialPressure = pressure * xH2O; | |
| 663 | 11637326 | Scalar lambdaH2O = xH2O * H2O::gasThermalConductivity(temperature, partialPressure); | |
| 664 | 11637326 | return lambdaN2 + lambdaH2O; | |
| 665 | } | ||
| 666 | else | ||
| 667 | 6243462 | return lambdaPureN2; | |
| 668 | } | ||
| 669 | } | ||
| 670 | |||
| 671 | using Base<Scalar, ThisType>::heatCapacity; | ||
| 672 | //! \copydoc Dumux::FluidSystems::Base<Scalar,ThisType>::heatCapacity(const FluidState&,int) | ||
| 673 | template <class FluidState> | ||
| 674 | 2964311 | static Scalar heatCapacity(const FluidState &fluidState, | |
| 675 | int phaseIdx) | ||
| 676 | { | ||
| 677 |
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1572488 | if (phaseIdx == liquidPhaseIdx) { |
| 678 | 2178067 | return H2O::liquidHeatCapacity(fluidState.temperature(phaseIdx), | |
| 679 | 786244 | fluidState.pressure(phaseIdx)); | |
| 680 | } | ||
| 681 | |||
| 682 | // for the gas phase, assume ideal mixture | ||
| 683 | Scalar c_pN2; | ||
| 684 | Scalar c_pH2O; | ||
| 685 | // let the water and nitrogen components do things their own way | ||
| 686 | if (!Policy::useIdealGasHeatCapacities()) { | ||
| 687 | 2 | c_pN2 = N2::gasHeatCapacity(fluidState.temperature(phaseIdx), | |
| 688 | 2 | fluidState.pressure(phaseIdx) | |
| 689 | 2 | * fluidState.moleFraction(phaseIdx, N2Idx)); | |
| 690 | |||
| 691 | 2 | c_pH2O = H2O::gasHeatCapacity(fluidState.temperature(phaseIdx), | |
| 692 | 2 | fluidState.pressure(phaseIdx) | |
| 693 | 2 | * fluidState.moleFraction(phaseIdx, H2OIdx)); | |
| 694 | } | ||
| 695 | else { | ||
| 696 | // assume an ideal gas for both components. See: | ||
| 697 | // http://en.wikipedia.org/wiki/Heat_capacity | ||
| 698 | 786242 | Scalar c_vN2molar = Constants<Scalar>::R*2.39; | |
| 699 | 786242 | Scalar c_pN2molar = Constants<Scalar>::R + c_vN2molar; | |
| 700 | |||
| 701 | 786242 | Scalar c_vH2Omolar = Constants<Scalar>::R*3.37; // <- correct?? | |
| 702 | 786242 | Scalar c_pH2Omolar = Constants<Scalar>::R + c_vH2Omolar; | |
| 703 | |||
| 704 | 786242 | c_pN2 = c_pN2molar/molarMass(N2Idx); | |
| 705 | 786242 | c_pH2O = c_pH2Omolar/molarMass(H2OIdx); | |
| 706 | } | ||
| 707 | |||
| 708 | // mangle both components together | ||
| 709 | 786244 | return c_pH2O*fluidState.massFraction(gasPhaseIdx, H2OIdx) | |
| 710 | 786244 | + c_pN2*fluidState.massFraction(gasPhaseIdx, N2Idx); | |
| 711 | } | ||
| 712 | }; | ||
| 713 | |||
| 714 | } // end namespace Dumux::FluidSystems | ||
| 715 | |||
| 716 | #endif | ||
| 717 |