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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 FluidSystems | ||
| 10 | * \brief @copybrief Dumux::FluidSystems::Spe5 | ||
| 11 | */ | ||
| 12 | #ifndef DUMUX_SPE5_FLUID_SYSTEM_HH | ||
| 13 | #define DUMUX_SPE5_FLUID_SYSTEM_HH | ||
| 14 | |||
| 15 | #include "spe5parametercache.hh" | ||
| 16 | |||
| 17 | #include <dumux/common/spline.hh> | ||
| 18 | #include <dumux/material/eos/pengrobinsonmixture.hh> | ||
| 19 | #include <dumux/io/name.hh> | ||
| 20 | |||
| 21 | namespace Dumux { | ||
| 22 | namespace FluidSystems { | ||
| 23 | |||
| 24 | /*! | ||
| 25 | * \ingroup FluidSystems | ||
| 26 | * \brief The fluid system for the SPE-5 benchmark problem. | ||
| 27 | * | ||
| 28 | * A three-phase fluid system featuring gas, oil and water as phases and the seven | ||
| 29 | * components distilled water, Methane \f$(\mathrm{C_1})\f$, Propane \f$(\mathrm{C_3})\f$, | ||
| 30 | * Pentane \f$(\mathrm{C_5})\f$, Heptane \f$(\mathrm{C_7})\f$, Decane | ||
| 31 | * \f$(\mathrm{C_{10}})\f$, Pentadecane \f$(\mathrm{C_{15}})\f$ and Icosane | ||
| 32 | * \f$(\mathrm{C_{20}})\f$. For the water phase the IAPWS-97 formulation is used as | ||
| 33 | * equation of state, while for the gas and oil phases a Peng-Robinson | ||
| 34 | * equation of state with slightly modified parameters is used. This fluid system is highly | ||
| 35 | * non-linear, and the gas and oil phases also cannot be considered ideal. | ||
| 36 | * | ||
| 37 | * See: | ||
| 38 | * | ||
| 39 | * J.E. Killough, et al.: Fifth Comparative Solution Project: | ||
| 40 | * Evaluation of Miscible Flood Simulators, Ninth SPE Symposium on | ||
| 41 | * Reservoir Simulation, 1987 \cite SPE5 | ||
| 42 | */ | ||
| 43 | template <class Scalar> | ||
| 44 | class Spe5 | ||
| 45 | { | ||
| 46 | using ThisType = FluidSystems::Spe5<Scalar>; | ||
| 47 | |||
| 48 | using PengRobinsonMixture = Dumux::PengRobinsonMixture<Scalar, ThisType>; | ||
| 49 | using PengRobinson = Dumux::PengRobinson<Scalar>; | ||
| 50 | |||
| 51 | public: | ||
| 52 | using ParameterCache = Spe5ParameterCache<Scalar, ThisType>; | ||
| 53 | |||
| 54 | /**************************************** | ||
| 55 | * Fluid phase parameters | ||
| 56 | ****************************************/ | ||
| 57 | |||
| 58 | //! Number of phases in the fluid system | ||
| 59 | static const int numPhases = 3; | ||
| 60 | |||
| 61 | //! Index of the gas phase | ||
| 62 | static const int gPhaseIdx = 0; | ||
| 63 | //! Index of the water phase | ||
| 64 | static const int wPhaseIdx = 1; | ||
| 65 | //! Index of the oil phase | ||
| 66 | static const int oPhaseIdx = 2; | ||
| 67 | |||
| 68 | //! The component for pure water to be used | ||
| 69 | using H2O = Dumux::Components::H2O<Scalar>; | ||
| 70 | |||
| 71 | /*! | ||
| 72 | * \brief Return the human readable name of a fluid phase | ||
| 73 | * \param phaseIdx The index of the fluid phase to consider | ||
| 74 | */ | ||
| 75 | 3 | static std::string phaseName(int phaseIdx) | |
| 76 | { | ||
| 77 |
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3 | assert(0 <= phaseIdx && phaseIdx < numPhases); |
| 78 |
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3 | switch (phaseIdx) |
| 79 | { | ||
| 80 | 1 | case gPhaseIdx: return IOName::gaseousPhase(); | |
| 81 | 1 | case wPhaseIdx: return IOName::aqueousPhase(); | |
| 82 | 1 | case oPhaseIdx: return IOName::naplPhase(); | |
| 83 | } | ||
| 84 | ✗ | DUNE_THROW(Dune::InvalidStateException, "Invalid phase index " << phaseIdx); | |
| 85 | } | ||
| 86 | |||
| 87 | /*! | ||
| 88 | * \brief Returns whether the fluids are miscible | ||
| 89 | */ | ||
| 90 | static constexpr bool isMiscible() | ||
| 91 | { return true; } | ||
| 92 | |||
| 93 | /*! | ||
| 94 | * \brief Return whether a phase is gaseous | ||
| 95 | * \param phaseIdx The index of the fluid phase to consider | ||
| 96 | */ | ||
| 97 | static constexpr bool isGas(int phaseIdx) | ||
| 98 | { | ||
| 99 | assert(0 <= phaseIdx && phaseIdx < numPhases); | ||
| 100 | return phaseIdx == gPhaseIdx; | ||
| 101 | } | ||
| 102 | |||
| 103 | /*! | ||
| 104 | * \brief Return whether a phase is compressible | ||
| 105 | * \param phaseIdx The index of the fluid phase to consider | ||
| 106 | * | ||
| 107 | * In the SPE-5 problems all fluids are compressible... | ||
| 108 | */ | ||
| 109 | static constexpr bool isCompressible(int phaseIdx) | ||
| 110 | { | ||
| 111 | assert(0 <= phaseIdx && phaseIdx < numPhases); | ||
| 112 | return true; | ||
| 113 | } | ||
| 114 | |||
| 115 | /*! | ||
| 116 | * \brief Returns true if and only if a fluid phase is assumed to | ||
| 117 | * be an ideal mixture. | ||
| 118 | * | ||
| 119 | * We define an ideal mixture as a fluid phase where the fugacity | ||
| 120 | * coefficients of all components times the pressure of the phase | ||
| 121 | * are independent on the fluid composition. This assumption is true | ||
| 122 | * if Henry's law and Raoult's law apply. If you are unsure what | ||
| 123 | * this function should return, it is safe to return false. The | ||
| 124 | * only damage done will be (slightly) increased computation times | ||
| 125 | * in some cases. | ||
| 126 | * \param phaseIdx The index of the fluid phase to consider | ||
| 127 | */ | ||
| 128 | static bool isIdealMixture(int phaseIdx) | ||
| 129 | { | ||
| 130 | // always use the reference oil for the fugacity coefficients, | ||
| 131 | // so they cannot be dependent on composition and they the | ||
| 132 | // phases thus always an ideal mixture | ||
| 133 | return phaseIdx == wPhaseIdx; | ||
| 134 | } | ||
| 135 | |||
| 136 | /*! | ||
| 137 | * \brief Returns true if and only if a fluid phase is assumed to | ||
| 138 | * be an ideal gas. | ||
| 139 | * | ||
| 140 | * \param phaseIdx The index of the fluid phase to consider | ||
| 141 | */ | ||
| 142 | static bool isIdealGas(int phaseIdx) | ||
| 143 | { | ||
| 144 | assert(0 <= phaseIdx && phaseIdx < numPhases); | ||
| 145 | return false; // gas is not ideal here! | ||
| 146 | } | ||
| 147 | |||
| 148 | /**************************************** | ||
| 149 | * Component related parameters | ||
| 150 | ****************************************/ | ||
| 151 | |||
| 152 | //! Number of components in the fluid system | ||
| 153 | static const int numComponents = 7; | ||
| 154 | |||
| 155 | static const int H2OIdx = 0; | ||
| 156 | static const int C1Idx = 1; | ||
| 157 | static const int C3Idx = 2; | ||
| 158 | static const int C6Idx = 3; | ||
| 159 | static const int C10Idx = 4; | ||
| 160 | static const int C15Idx = 5; | ||
| 161 | static const int C20Idx = 6; | ||
| 162 | |||
| 163 | /*! | ||
| 164 | * \brief Return the human readable name of a component | ||
| 165 | * \param compIdx The index of the component to consider | ||
| 166 | */ | ||
| 167 | 7 | static std::string componentName(int compIdx) | |
| 168 | { | ||
| 169 |
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7 | static std::string name[] = { |
| 170 | H2O::name(), | ||
| 171 | std::string("C1"), | ||
| 172 | std::string("C3"), | ||
| 173 | std::string("C6"), | ||
| 174 | std::string("C10"), | ||
| 175 | std::string("C15"), | ||
| 176 | std::string("C20") | ||
| 177 | }; | ||
| 178 | |||
| 179 |
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7 | assert(0 <= compIdx && compIdx < numComponents); |
| 180 | 7 | return name[compIdx]; | |
| 181 | } | ||
| 182 | |||
| 183 | /*! | ||
| 184 | * \brief Return the molar mass of a component in \f$\mathrm{[kg/mol]}\f$. | ||
| 185 | * \param compIdx The index of the component to consider | ||
| 186 | */ | ||
| 187 | static Scalar molarMass(int compIdx) | ||
| 188 | { | ||
| 189 | static const Scalar M[] = { | ||
| 190 | H2O::molarMass(), | ||
| 191 | 16.04e-3, // C1 | ||
| 192 | 44.10e-3, // C3 | ||
| 193 | 86.18e-3, // C6 | ||
| 194 | 142.29e-3, // C10 | ||
| 195 | 206.00e-3, // C15 | ||
| 196 | 282.00e-3 // C20 | ||
| 197 | }; | ||
| 198 | |||
| 199 | assert(0 <= compIdx && compIdx < numComponents); | ||
| 200 |
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506072 | return M[compIdx]; |
| 201 | } | ||
| 202 | |||
| 203 | /*! | ||
| 204 | * \brief Critical temperature of a component \f$\mathrm{[K]}\f$. | ||
| 205 | * \param compIdx The index of the component to consider | ||
| 206 | */ | ||
| 207 | static Scalar criticalTemperature(int compIdx) | ||
| 208 | { | ||
| 209 | static const Scalar Tcrit[] = { | ||
| 210 | H2O::criticalTemperature(), // H2O | ||
| 211 | 343.0*5/9, // C1 | ||
| 212 | 665.7*5/9, // C3 | ||
| 213 | 913.4*5/9, // C6 | ||
| 214 | 1111.8*5/9, // C10 | ||
| 215 | 1270.0*5/9, // C15 | ||
| 216 | 1380.0*5/9 // C20 | ||
| 217 | }; | ||
| 218 | |||
| 219 | assert(0 <= compIdx && compIdx < numComponents); | ||
| 220 |
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103215 | return Tcrit[compIdx]; |
| 221 | } | ||
| 222 | |||
| 223 | /*! | ||
| 224 | * \brief Critical pressure of a component \f$\mathrm{[Pa]}\f$. | ||
| 225 | * \param compIdx The index of the component to consider | ||
| 226 | */ | ||
| 227 | static Scalar criticalPressure(int compIdx) | ||
| 228 | { | ||
| 229 | static const Scalar pcrit[] = { | ||
| 230 | H2O::criticalPressure(), // H2O | ||
| 231 | 667.8 * 6894.7573, // C1 | ||
| 232 | 616.3 * 6894.7573, // C3 | ||
| 233 | 436.9 * 6894.7573, // C6 | ||
| 234 | 304.0 * 6894.7573, // C10 | ||
| 235 | 200.0 * 6894.7573, // C15 | ||
| 236 | 162.0 * 6894.7573 // C20 | ||
| 237 | }; | ||
| 238 | |||
| 239 | assert(0 <= compIdx && compIdx < numComponents); | ||
| 240 |
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103215 | return pcrit[compIdx]; |
| 241 | } | ||
| 242 | |||
| 243 | /*! | ||
| 244 | * \brief Molar volume of a component at the critical point \f$\mathrm{[m^3/mol]}\f$. | ||
| 245 | * \param compIdx The index of the component to consider | ||
| 246 | */ | ||
| 247 | static Scalar criticalMolarVolume(int compIdx) | ||
| 248 | { | ||
| 249 | static const Scalar R = 8.314472; | ||
| 250 | static const Scalar vcrit[] = { | ||
| 251 | H2O::criticalMolarVolume(), // H2O | ||
| 252 | 0.290*R*criticalTemperature(1)/criticalPressure(1), // C1 | ||
| 253 | 0.277*R*criticalTemperature(2)/criticalPressure(2), // C3 | ||
| 254 | 0.264*R*criticalTemperature(3)/criticalPressure(3), // C6 | ||
| 255 | 0.257*R*criticalTemperature(4)/criticalPressure(4), // C10 | ||
| 256 | 0.245*R*criticalTemperature(5)/criticalPressure(5), // C15 | ||
| 257 | 0.235*R*criticalTemperature(6)/criticalPressure(6) // C20 | ||
| 258 | }; | ||
| 259 | |||
| 260 | assert(0 <= compIdx && compIdx < numComponents); | ||
| 261 | return vcrit[compIdx]; | ||
| 262 | } | ||
| 263 | |||
| 264 | /*! | ||
| 265 | * \brief The acentric factor of a component \f$\mathrm{[-]}\f$. | ||
| 266 | * \param compIdx The index of the component to consider | ||
| 267 | */ | ||
| 268 | static Scalar acentricFactor(int compIdx) | ||
| 269 | { | ||
| 270 | static const Scalar accFac[] = { | ||
| 271 | 0.344, // H2O (from Reid, et al.) | ||
| 272 | 0.0130, // C1 | ||
| 273 | 0.1524, // C3 | ||
| 274 | 0.3007, // C6 | ||
| 275 | 0.4885, // C10 | ||
| 276 | 0.6500, // C15 | ||
| 277 | 0.8500 // C20 | ||
| 278 | }; | ||
| 279 | |||
| 280 | assert(0 <= compIdx && compIdx < numComponents); | ||
| 281 |
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103215 | return accFac[compIdx]; |
| 282 | } | ||
| 283 | |||
| 284 | /*! | ||
| 285 | * \brief Returns the interaction coefficient for two components. | ||
| 286 | * \param comp1Idx The index of component 1 to consider | ||
| 287 | * \param comp2Idx The index of component 2 to consider | ||
| 288 | * | ||
| 289 | * The values are given by the SPE5 paper. | ||
| 290 | */ | ||
| 291 | static Scalar interactionCoefficient(int comp1Idx, int comp2Idx) | ||
| 292 | { | ||
| 293 | using std::min; | ||
| 294 | using std::max; | ||
| 295 |
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2579017 | int i = min(comp1Idx, comp2Idx); |
| 296 |
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2579017 | int j = max(comp1Idx, comp2Idx); |
| 297 |
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2579017 | if (i == C1Idx && (j == C15Idx || j == C20Idx)) |
| 298 | return 0.05; | ||
| 299 |
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2368485 | else if (i == C3Idx && (j == C15Idx || j == C20Idx)) |
| 300 | return 0.005; | ||
| 301 | return 0; | ||
| 302 | } | ||
| 303 | |||
| 304 | /**************************************** | ||
| 305 | * Methods which compute stuff | ||
| 306 | ****************************************/ | ||
| 307 | |||
| 308 | /*! | ||
| 309 | * \brief Initialize the fluid system's static parameters | ||
| 310 | */ | ||
| 311 | 2 | static void init() | |
| 312 | { | ||
| 313 | PengRobinsonParamsMixture<Scalar, ThisType, gPhaseIdx, /*useSpe5=*/true> prParams; | ||
| 314 | |||
| 315 | // find envelopes of the 'a' and 'b' parameters for the range | ||
| 316 | // 273.15K <= T <= 373.15K and 10e3 Pa <= p <= 100e6 Pa. For | ||
| 317 | // this we take advantage of the fact that 'a' and 'b' for | ||
| 318 | // mixtures is just a convex combination of the attractive and | ||
| 319 | // repulsive parameters of the pure components | ||
| 320 | 2 | Scalar minT = 273.15, maxT = 373.15; | |
| 321 | 2 | Scalar minP = 1e4, maxP = 100e6; | |
| 322 | |||
| 323 | 2 | Scalar minA = 1e100, maxA = -1e100; | |
| 324 | 2 | Scalar minB = 1e100, maxB = -1e100; | |
| 325 | |||
| 326 | 2 | prParams.updatePure(minT, minP); | |
| 327 | using std::min; | ||
| 328 | using std::max; | ||
| 329 |
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16 | for (int compIdx = 0; compIdx < numComponents; ++compIdx) { |
| 330 |
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28 | minA = min(prParams.pureParams(compIdx).a(), minA); |
| 331 |
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14 | maxA = max(prParams.pureParams(compIdx).a(), maxA); |
| 332 |
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14 | minB = min(prParams.pureParams(compIdx).b(), minB); |
| 333 |
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14 | maxB = max(prParams.pureParams(compIdx).b(), maxB); |
| 334 | } | ||
| 335 | |||
| 336 | 2 | prParams.updatePure(maxT, minP); | |
| 337 |
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16 | for (int compIdx = 0; compIdx < numComponents; ++compIdx) { |
| 338 |
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28 | minA = min(prParams.pureParams(compIdx).a(), minA); |
| 339 |
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14 | maxA = max(prParams.pureParams(compIdx).a(), maxA); |
| 340 |
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14 | minB = min(prParams.pureParams(compIdx).b(), minB); |
| 341 |
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26 | maxB = max(prParams.pureParams(compIdx).b(), maxB); |
| 342 | } | ||
| 343 | |||
| 344 | 2 | prParams.updatePure(minT, maxP); | |
| 345 |
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16 | for (int compIdx = 0; compIdx < numComponents; ++compIdx) { |
| 346 |
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28 | minA = min(prParams.pureParams(compIdx).a(), minA); |
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14 | maxA = max(prParams.pureParams(compIdx).a(), maxA); |
| 348 |
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14 | minB = min(prParams.pureParams(compIdx).b(), minB); |
| 349 |
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26 | maxB = max(prParams.pureParams(compIdx).b(), maxB); |
| 350 | } | ||
| 351 | |||
| 352 | 2 | prParams.updatePure(maxT, maxP); | |
| 353 |
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16 | for (int compIdx = 0; compIdx < numComponents; ++compIdx) { |
| 354 |
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28 | minA = min(prParams.pureParams(compIdx).a(), minA); |
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14 | maxA = max(prParams.pureParams(compIdx).a(), maxA); |
| 356 |
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14 | minB = min(prParams.pureParams(compIdx).b(), minB); |
| 357 |
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26 | maxB = max(prParams.pureParams(compIdx).b(), maxB); |
| 358 | } | ||
| 359 | |||
| 360 | 2 | PengRobinson::init(/*aMin=*/minA, /*aMax=*/maxA, /*na=*/100, | |
| 361 | /*bMin=*/minB, /*bMax=*/maxB, /*nb=*/200); | ||
| 362 | 2 | } | |
| 363 | |||
| 364 | /*! | ||
| 365 | * \brief Calculate the density \f$\mathrm{[kg/m^3]}\f$ of a fluid phase | ||
| 366 | * | ||
| 367 | * | ||
| 368 | * \param fluidState An arbitrary fluid state | ||
| 369 | * \param paramCache Container for cache parameters | ||
| 370 | * \param phaseIdx The index of the fluid phase to consider | ||
| 371 | */ | ||
| 372 | template <class FluidState> | ||
| 373 | 56830 | static Scalar density(const FluidState &fluidState, | |
| 374 | const ParameterCache ¶mCache, | ||
| 375 | int phaseIdx) | ||
| 376 | { | ||
| 377 |
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56830 | assert(0 <= phaseIdx && phaseIdx < numPhases); |
| 378 | |||
| 379 |
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113657 | return fluidState.averageMolarMass(phaseIdx)/paramCache.molarVolume(phaseIdx); |
| 380 | } | ||
| 381 | |||
| 382 | /*! | ||
| 383 | * \brief The molar density \f$\rho_{mol,\alpha}\f$ | ||
| 384 | * of a fluid phase \f$\alpha\f$ in \f$\mathrm{[mol/m^3]}\f$ | ||
| 385 | * | ||
| 386 | * The molar density is defined by the | ||
| 387 | * mass density \f$\rho_\alpha\f$ and the mean molar mass \f$\overline M_\alpha\f$: | ||
| 388 | * | ||
| 389 | * \f[\rho_{mol,\alpha} = \frac{\rho_\alpha}{\overline M_\alpha} \;.\f] | ||
| 390 | */ | ||
| 391 | template <class FluidState> | ||
| 392 | ✗ | static Scalar molarDensity(const FluidState &fluidState, const ParameterCache ¶mCache, int phaseIdx) | |
| 393 | { | ||
| 394 |
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56830 | return 1.0/paramCache.molarVolume(phaseIdx); |
| 395 | } | ||
| 396 | |||
| 397 | /*! | ||
| 398 | * \brief Calculate the dynamic viscosity of a fluid phase \f$\mathrm{[Pa*s]}\f$ | ||
| 399 | * \param fs An arbitrary fluid state | ||
| 400 | * \param paramCache Container for cache parameters | ||
| 401 | * \param phaseIdx The index of the fluid phase to consider | ||
| 402 | */ | ||
| 403 | template <class FluidState> | ||
| 404 | ✗ | static Scalar viscosity(const FluidState &fs, | |
| 405 | const ParameterCache ¶mCache, | ||
| 406 | int phaseIdx) | ||
| 407 | { | ||
| 408 | ✗ | assert(0 <= phaseIdx && phaseIdx <= numPhases); | |
| 409 | |||
| 410 | ✗ | if (phaseIdx == gPhaseIdx) { | |
| 411 | // given by SPE-5 in table on page 64. we use a constant | ||
| 412 | // viscosity, though... | ||
| 413 | ✗ | return 0.0170e-2 * 0.1; | |
| 414 | } | ||
| 415 | ✗ | else if (phaseIdx == wPhaseIdx) | |
| 416 | // given by SPE-5: 0.7 centi-Poise = 0.0007 Pa s | ||
| 417 | ✗ | return 0.7e-2 * 0.1; | |
| 418 | else { | ||
| 419 | ✗ | assert(phaseIdx == oPhaseIdx); | |
| 420 | // given by SPE-5 in table on page 64. we use a constant | ||
| 421 | // viscosity, though... | ||
| 422 | ✗ | return 0.208e-2 * 0.1; | |
| 423 | } | ||
| 424 | } | ||
| 425 | |||
| 426 | /*! | ||
| 427 | * \brief Calculate the fugacity coefficient \f$\mathrm{[-]}\f$ of an individual | ||
| 428 | * component in a fluid phase | ||
| 429 | * | ||
| 430 | * The fugacity coefficient \f$\mathrm{\phi^\kappa_\alpha}\f$ is connected | ||
| 431 | * to the fugacity \f$\mathrm{f^\kappa_\alpha}\f$ and the component's mole | ||
| 432 | * fraction in a phase \f$\mathrm{x^\kappa_\alpha}\f$ by means of the | ||
| 433 | * relation | ||
| 434 | * | ||
| 435 | * \f[ f^\kappa_\alpha = \phi^\kappa_\alpha \cdot x^\kappa_\alpha \cdot p_alpha \f] | ||
| 436 | * \param fs An arbitrary fluid state | ||
| 437 | * \param paramCache Container for cache parameters | ||
| 438 | * \param phaseIdx The index of the fluid phase to consider | ||
| 439 | * \param compIdx The index of the component to consider | ||
| 440 | */ | ||
| 441 | template <class FluidState> | ||
| 442 | 316386 | static Scalar fugacityCoefficient(const FluidState &fs, | |
| 443 | const ParameterCache ¶mCache, | ||
| 444 | int phaseIdx, | ||
| 445 | int compIdx) | ||
| 446 | { | ||
| 447 |
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316386 | assert(0 <= phaseIdx && phaseIdx <= numPhases); |
| 448 |
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316386 | assert(0 <= compIdx && compIdx <= numComponents); |
| 449 | |||
| 450 |
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316386 | if (phaseIdx == oPhaseIdx || phaseIdx == gPhaseIdx) |
| 451 | 265216 | return PengRobinsonMixture::computeFugacityCoefficient(fs, | |
| 452 | paramCache, | ||
| 453 | phaseIdx, | ||
| 454 | 265216 | compIdx); | |
| 455 | else { | ||
| 456 |
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51170 | assert(phaseIdx == wPhaseIdx); |
| 457 | 102333 | return henryCoeffWater_(compIdx, fs.temperature(wPhaseIdx)) | |
| 458 | 102333 | / fs.pressure(wPhaseIdx); | |
| 459 | } | ||
| 460 | } | ||
| 461 | |||
| 462 | |||
| 463 | /*! | ||
| 464 | * \brief Calculate the binary molecular diffusion coefficient for | ||
| 465 | * a component in a fluid phase \f$\mathrm{[mol^2 * s / (kg*m^3)]}\f$ | ||
| 466 | * | ||
| 467 | * Molecular diffusion of a component \f$\mathrm{\kappa}\f$ is caused by a | ||
| 468 | * gradient of the chemical potential and follows the law | ||
| 469 | * | ||
| 470 | * \f[ J = - D grad \mu_\kappa \f] | ||
| 471 | * | ||
| 472 | * where \f$\mathrm{\mu_\kappa}\f$ is the component's chemical potential, | ||
| 473 | * \f$\mathrm{D}\f$ is the diffusion coefficient and \f$\mathrm{J}\f$ is the | ||
| 474 | * diffusive flux. \f$\mathrm{\mu_\kappa}\f$ is connected to the component's | ||
| 475 | * fugacity \f$\mathrm{f_\kappa}\f$ by the relation | ||
| 476 | * | ||
| 477 | * \f[ \mu_\kappa = R T_\alpha \mathrm{ln} \frac{f_\kappa}{p_\alpha} \f] | ||
| 478 | * | ||
| 479 | * where \f$\mathrm{p_\alpha}\f$ and \f$\mathrm{T_\alpha}\f$ are the fluid phase' | ||
| 480 | * pressure and temperature. | ||
| 481 | * \param fs An arbitrary fluid state | ||
| 482 | * \param paramCache Container for cache parameters | ||
| 483 | * \param phaseIdx The index of the fluid phase to consider | ||
| 484 | * \param compIdx The index of the component to consider | ||
| 485 | */ | ||
| 486 | template <class FluidState> | ||
| 487 | 21 | static Scalar diffusionCoefficient(const FluidState &fs, | |
| 488 | const ParameterCache ¶mCache, | ||
| 489 | int phaseIdx, | ||
| 490 | int compIdx) | ||
| 491 |
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231 | { DUNE_THROW(Dune::NotImplemented, "Diffusion coefficients"); } |
| 492 | |||
| 493 | /*! | ||
| 494 | * \brief Given a phase's composition, temperature and pressure, | ||
| 495 | * return the binary diffusion coefficient \f$\mathrm{[m^2/s]}\f$ for components | ||
| 496 | * \f$i\f$ and \f$j\f$ in this phase. | ||
| 497 | * | ||
| 498 | * \param fluidState An arbitrary fluid state | ||
| 499 | * \param paramCache Container for cache parameters | ||
| 500 | * \param phaseIdx The index of the fluid phase to consider | ||
| 501 | * \param compIIdx The index of the first component to consider | ||
| 502 | * \param compJIdx The index of the second component to consider | ||
| 503 | */ | ||
| 504 | template <class FluidState> | ||
| 505 | 147 | static Scalar binaryDiffusionCoefficient(const FluidState &fluidState, | |
| 506 | const ParameterCache ¶mCache, | ||
| 507 | int phaseIdx, | ||
| 508 | int compIIdx, | ||
| 509 | int compJIdx) | ||
| 510 |
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1617 | { DUNE_THROW(Dune::NotImplemented, "Binary diffusion coefficients"); } |
| 511 | |||
| 512 | /*! | ||
| 513 | * \brief Given a phase's composition, temperature and pressure, | ||
| 514 | * calculate its specific enthalpy \f$\mathrm{[J/kg]}\f$. | ||
| 515 | * \param fs An arbitrary fluid state | ||
| 516 | * \param paramCache Container for cache parameters | ||
| 517 | * \param phaseIdx The index of the fluid phase to consider | ||
| 518 | */ | ||
| 519 | template <class FluidState> | ||
| 520 | 3 | static Scalar enthalpy(const FluidState &fs, | |
| 521 | const ParameterCache ¶mCache, | ||
| 522 | int phaseIdx) | ||
| 523 |
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33 | { DUNE_THROW(Dune::NotImplemented, "Enthalpies"); } |
| 524 | |||
| 525 | /*! | ||
| 526 | * \brief Given a phase's composition, temperature and pressure, | ||
| 527 | * calculate its thermal conductivity \f$\mathrm{[W/(m K)]}\f$. | ||
| 528 | * \param fluidState An arbitrary fluid state | ||
| 529 | * \param paramCache Container for cache parameters | ||
| 530 | * \param phaseIdx The index of the fluid phase to consider | ||
| 531 | */ | ||
| 532 | template <class FluidState> | ||
| 533 | 3 | static Scalar thermalConductivity(const FluidState &fluidState, | |
| 534 | const ParameterCache ¶mCache, | ||
| 535 | int phaseIdx) | ||
| 536 |
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33 | { DUNE_THROW(Dune::NotImplemented, "Thermal conductivities"); } |
| 537 | |||
| 538 | /*! | ||
| 539 | * \brief Given a phase's composition, temperature and pressure, | ||
| 540 | * calculate its heat capacity \f$\mathrm{[J/(kg K)]}\f$. | ||
| 541 | * \param fluidState An arbitrary fluid state | ||
| 542 | * \param paramCache Container for cache parameters | ||
| 543 | * \param phaseIdx The index of the fluid phase to consider | ||
| 544 | */ | ||
| 545 | template <class FluidState> | ||
| 546 | 3 | static Scalar heatCapacity(const FluidState &fluidState, | |
| 547 | const ParameterCache ¶mCache, | ||
| 548 | int phaseIdx) | ||
| 549 |
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33 | { DUNE_THROW(Dune::NotImplemented, "Heat capacities"); } |
| 550 | |||
| 551 | |||
| 552 | private: | ||
| 553 | 51170 | static Scalar henryCoeffWater_(int compIdx, Scalar temperature) | |
| 554 | { | ||
| 555 | // use henry's law for the solutes and the vapor pressure for | ||
| 556 | // the solvent. | ||
| 557 |
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51170 | switch (compIdx) { |
| 558 | 7310 | case H2OIdx: return H2O::vaporPressure(temperature); | |
| 559 | |||
| 560 | // the values of the Henry constant for the solutes have | ||
| 561 | // are faked so far... | ||
| 562 | case C1Idx: return 5.57601e+09; | ||
| 563 | 7310 | case C3Idx: return 1e10; | |
| 564 | 7310 | case C6Idx: return 1e10; | |
| 565 | 7310 | case C10Idx: return 1e10; | |
| 566 | 7310 | case C15Idx: return 1e10; | |
| 567 | 7310 | case C20Idx: return 1e10; | |
| 568 | ✗ | default: DUNE_THROW(Dune::InvalidStateException, "Unknown component index " << compIdx); | |
| 569 | } | ||
| 570 | } | ||
| 571 | }; | ||
| 572 | |||
| 573 | } // end namespace FluidSystems | ||
| 574 | } // end namespace Dumux | ||
| 575 | |||
| 576 | #endif | ||
| 577 |