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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::Spe5ParameterCache | ||
| 11 | */ | ||
| 12 | #ifndef SPE5_PARAMETER_CACHE_HH | ||
| 13 | #define SPE5_PARAMETER_CACHE_HH | ||
| 14 | |||
| 15 | #include <cassert> | ||
| 16 | |||
| 17 | #include <dumux/material/components/h2o.hh> | ||
| 18 | #include <dumux/material/fluidsystems/parametercachebase.hh> | ||
| 19 | |||
| 20 | #include <dumux/material/eos/pengrobinson.hh> | ||
| 21 | #include <dumux/material/eos/pengrobinsonparamsmixture.hh> | ||
| 22 | |||
| 23 | namespace Dumux { | ||
| 24 | |||
| 25 | /*! | ||
| 26 | * \ingroup FluidSystems | ||
| 27 | * \brief Specifies the parameters required by the SPE5 problem which | ||
| 28 | * are despondent on the thermodynamic state. | ||
| 29 | */ | ||
| 30 | template <class Scalar, class FluidSystem> | ||
| 31 | class Spe5ParameterCache | ||
| 32 | : public ParameterCacheBase<Spe5ParameterCache<Scalar, FluidSystem> > | ||
| 33 | { | ||
| 34 | using ThisType = Spe5ParameterCache<Scalar, FluidSystem>; | ||
| 35 | using ParentType = ParameterCacheBase<ThisType>; | ||
| 36 | |||
| 37 | using PengRobinson = Dumux::PengRobinson<Scalar>; | ||
| 38 | |||
| 39 | enum { numPhases = FluidSystem::numPhases }; | ||
| 40 | |||
| 41 | enum { wPhaseIdx = FluidSystem::wPhaseIdx }; | ||
| 42 | enum { oPhaseIdx = FluidSystem::oPhaseIdx }; | ||
| 43 | enum { gPhaseIdx = FluidSystem::gPhaseIdx }; | ||
| 44 | |||
| 45 | public: | ||
| 46 | // types of the parameter objects for each phase | ||
| 47 | using OilPhaseParams = PengRobinsonParamsMixture<Scalar, FluidSystem, oPhaseIdx, /*useSpe5=*/true>; | ||
| 48 | using GasPhaseParams = PengRobinsonParamsMixture<Scalar, FluidSystem, gPhaseIdx, /*useSpe5=*/true>; | ||
| 49 | |||
| 50 | /*! | ||
| 51 | * \brief The constructor | ||
| 52 | */ | ||
| 53 | 53 | Spe5ParameterCache() | |
| 54 | { | ||
| 55 |
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212 | for (int phaseIdx = 0; phaseIdx < numPhases; ++phaseIdx) |
| 56 | 159 | VmUpToDate_[phaseIdx] = false; | |
| 57 | } | ||
| 58 | |||
| 59 | /*! | ||
| 60 | * \brief Update all parameters required by the fluid system to | ||
| 61 | * calculate some quantities for the phase. | ||
| 62 | * \param fs An arbitrary fluid state | ||
| 63 | * \param phaseIdx The index of the fluid phase to consider | ||
| 64 | * \param except The except quantity | ||
| 65 | */ | ||
| 66 | template <class FluidState> | ||
| 67 | 22111 | void updatePhase(const FluidState &fs, | |
| 68 | int phaseIdx, | ||
| 69 | int except = ParentType::None) | ||
| 70 | { | ||
| 71 | 22111 | updateEosParams(fs, phaseIdx, except); | |
| 72 | |||
| 73 | // if we don't need to recalculate the molar volume, we exit | ||
| 74 | // here | ||
| 75 |
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22111 | if (VmUpToDate_[phaseIdx]) |
| 76 | return; | ||
| 77 | |||
| 78 | // update the phase's molar volume | ||
| 79 | 22108 | updateMolarVolume_(fs, phaseIdx); | |
| 80 | } | ||
| 81 | |||
| 82 | /*! | ||
| 83 | * \brief Update all cached parameters of a specific fluid phase | ||
| 84 | * which depend on the mole fraction of a single component | ||
| 85 | * | ||
| 86 | * \b Only use this method if just a single component's | ||
| 87 | * concentration changed between two \p update*() calls. If more than | ||
| 88 | * one concentration changed, call updatePhaseComposition() of | ||
| 89 | * updatePhase()! | ||
| 90 | |||
| 91 | * \param fs An arbitrary fluid state | ||
| 92 | * \param compIdx The index of the component to consider | ||
| 93 | * \param phaseIdx The index of the fluid phase to consider | ||
| 94 | */ | ||
| 95 | template <class FluidState> | ||
| 96 | ✗ | void updateSingleMoleFraction(const FluidState &fs, | |
| 97 | int phaseIdx, | ||
| 98 | int compIdx) | ||
| 99 | { | ||
| 100 | ✗ | if (phaseIdx == oPhaseIdx) | |
| 101 | ✗ | oilPhaseParams_.updateSingleMoleFraction(fs, compIdx); | |
| 102 | ✗ | else if (phaseIdx == gPhaseIdx) | |
| 103 | ✗ | gasPhaseParams_.updateSingleMoleFraction(fs, compIdx); | |
| 104 | |||
| 105 | // update the phase's molar volume | ||
| 106 | ✗ | updateMolarVolume_(fs, phaseIdx); | |
| 107 | ✗ | } | |
| 108 | |||
| 109 | /*! | ||
| 110 | * \brief The Peng-Robinson attractive parameter for a phase. | ||
| 111 | * \param phaseIdx The index of the fluid phase to consider | ||
| 112 | */ | ||
| 113 | 619919 | Scalar a(int phaseIdx) const | |
| 114 | { | ||
| 115 |
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619919 | switch (phaseIdx) |
| 116 | { | ||
| 117 | 297845 | case oPhaseIdx: return oilPhaseParams_.a(); | |
| 118 | 322074 | case gPhaseIdx: return gasPhaseParams_.a(); | |
| 119 | ✗ | default: | |
| 120 | ✗ | DUNE_THROW(Dune::InvalidStateException, | |
| 121 | "The a() parameter is only defined for " | ||
| 122 | "oil and gas phases"); | ||
| 123 | } | ||
| 124 | } | ||
| 125 | |||
| 126 | /*! | ||
| 127 | * \brief The Peng-Robinson co-volume for a phase. | ||
| 128 | * \param phaseIdx The index of the fluid phase to consider | ||
| 129 | */ | ||
| 130 | 619919 | Scalar b(int phaseIdx) const | |
| 131 | { | ||
| 132 |
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619919 | switch (phaseIdx) |
| 133 | { | ||
| 134 | 297845 | case oPhaseIdx: return oilPhaseParams_.b(); | |
| 135 | 322074 | case gPhaseIdx: return gasPhaseParams_.b(); | |
| 136 | ✗ | default: | |
| 137 | ✗ | DUNE_THROW(Dune::InvalidStateException, | |
| 138 | "The b() parameter is only defined for " | ||
| 139 | "oil and gas phases"); | ||
| 140 | } | ||
| 141 | } | ||
| 142 | |||
| 143 | /*! | ||
| 144 | * \brief The Peng-Robinson attractive parameter for a pure | ||
| 145 | * component given the same temperature and pressure of the | ||
| 146 | * phase. | ||
| 147 | * \param compIdx The index of the component to consider | ||
| 148 | * \param phaseIdx The index of the fluid phase to consider | ||
| 149 | */ | ||
| 150 | 2121728 | Scalar aPure(int phaseIdx, int compIdx) const | |
| 151 | { | ||
| 152 |
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2121728 | switch (phaseIdx) |
| 153 | { | ||
| 154 | 2121728 | case oPhaseIdx: return oilPhaseParams_.pureParams(compIdx).a(); | |
| 155 | 2121728 | case gPhaseIdx: return gasPhaseParams_.pureParams(compIdx).a(); | |
| 156 | ✗ | default: | |
| 157 | ✗ | DUNE_THROW(Dune::InvalidStateException, | |
| 158 | "The a() parameter is only defined for " | ||
| 159 | "oil and gas phases"); | ||
| 160 | } | ||
| 161 | } | ||
| 162 | |||
| 163 | /*! | ||
| 164 | * \brief The Peng-Robinson co-volume for a pure component given | ||
| 165 | * the same temperature and pressure of the phase. | ||
| 166 | * \param compIdx The index of the component to consider | ||
| 167 | * \param phaseIdx The index of the fluid phase to consider | ||
| 168 | */ | ||
| 169 | 265216 | Scalar bPure(int phaseIdx, int compIdx) const | |
| 170 | { | ||
| 171 |
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265216 | switch (phaseIdx) |
| 172 | { | ||
| 173 | 265216 | case oPhaseIdx: return oilPhaseParams_.pureParams(compIdx).b(); | |
| 174 | 265216 | case gPhaseIdx: return gasPhaseParams_.pureParams(compIdx).b(); | |
| 175 | ✗ | default: | |
| 176 | ✗ | DUNE_THROW(Dune::InvalidStateException, | |
| 177 | "The b() parameter is only defined for " | ||
| 178 | "oil and gas phases"); | ||
| 179 | } | ||
| 180 | } | ||
| 181 | |||
| 182 | /*! | ||
| 183 | * \brief Returns the molar volume of a phase \f$\mathrm{[m^3/mol]}\f$ | ||
| 184 | * \param phaseIdx The index of the fluid phase to consider | ||
| 185 | */ | ||
| 186 | Scalar molarVolume(int phaseIdx) const | ||
| 187 | { | ||
| 188 |
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378876 | assert(VmUpToDate_[phaseIdx]); |
| 189 |
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322046 | return Vm_[phaseIdx]; |
| 190 | } | ||
| 191 | |||
| 192 | |||
| 193 | /*! | ||
| 194 | * \brief Returns the Peng-Robinson mixture parameters for the oil | ||
| 195 | * phase. | ||
| 196 | */ | ||
| 197 | const OilPhaseParams &oilPhaseParams() const | ||
| 198 | { return oilPhaseParams_; } | ||
| 199 | |||
| 200 | /*! | ||
| 201 | * \brief Returns the Peng-Robinson mixture parameters for the gas | ||
| 202 | * phase. | ||
| 203 | */ | ||
| 204 | const GasPhaseParams &gasPhaseParams() const | ||
| 205 | { return gasPhaseParams_; } | ||
| 206 | |||
| 207 | /*! | ||
| 208 | * \brief Update all parameters required by the equation of state to | ||
| 209 | * calculate some quantities for the phase. | ||
| 210 | */ | ||
| 211 | template <class FluidState> | ||
| 212 | 22111 | void updateEosParams(const FluidState &fs, | |
| 213 | int phaseIdx, | ||
| 214 | int exceptQuantities = ParentType::None) | ||
| 215 | { | ||
| 216 |
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22111 | if (!(exceptQuantities & ParentType::Temperature)) |
| 217 | { | ||
| 218 | 22105 | updatePure_(fs, phaseIdx); | |
| 219 | 22105 | updateMix_(fs, phaseIdx); | |
| 220 | 22105 | VmUpToDate_[phaseIdx] = false; | |
| 221 | } | ||
| 222 |
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6 | else if (!(exceptQuantities & ParentType::Composition)) |
| 223 | { | ||
| 224 | 3 | updateMix_(fs, phaseIdx); | |
| 225 | 3 | VmUpToDate_[phaseIdx] = false; | |
| 226 | } | ||
| 227 |
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3 | else if (!(exceptQuantities & ParentType::Pressure)) { |
| 228 | ✗ | VmUpToDate_[phaseIdx] = false; | |
| 229 | } | ||
| 230 | 22111 | } | |
| 231 | |||
| 232 | protected: | ||
| 233 | /*! | ||
| 234 | * \brief Update all parameters of a phase which only depend on | ||
| 235 | * temperature and/or pressure. | ||
| 236 | * | ||
| 237 | * This usually means the parameters for the pure components. | ||
| 238 | */ | ||
| 239 | template <class FluidState> | ||
| 240 | 22105 | void updatePure_(const FluidState &fs, int phaseIdx) | |
| 241 | { | ||
| 242 |
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22105 | Scalar T = fs.temperature(phaseIdx); |
| 243 |
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22105 | Scalar p = fs.pressure(phaseIdx); |
| 244 | |||
| 245 |
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22105 | switch (phaseIdx) |
| 246 | { | ||
| 247 | 7369 | case oPhaseIdx: oilPhaseParams_.updatePure(T, p); break; | |
| 248 | 7368 | case gPhaseIdx: gasPhaseParams_.updatePure(T, p); break; | |
| 249 | } | ||
| 250 | 22105 | } | |
| 251 | |||
| 252 | /*! | ||
| 253 | * \brief Update all parameters of a phase which depend on the | ||
| 254 | * fluid composition. It is assumed that updatePure() has | ||
| 255 | * been called before this method. | ||
| 256 | * | ||
| 257 | * Here, the mixing rule kicks in. | ||
| 258 | */ | ||
| 259 | template <class FluidState> | ||
| 260 | 22108 | void updateMix_(const FluidState &fs, int phaseIdx) | |
| 261 | { | ||
| 262 |
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22108 | switch (phaseIdx) |
| 263 | { | ||
| 264 | 7370 | case oPhaseIdx: | |
| 265 | 7370 | oilPhaseParams_.updateMix(fs); | |
| 266 | 7370 | break; | |
| 267 | 7369 | case gPhaseIdx: | |
| 268 | 7369 | gasPhaseParams_.updateMix(fs); | |
| 269 | 7369 | break; | |
| 270 | case wPhaseIdx: | ||
| 271 | break; | ||
| 272 | } | ||
| 273 | 22108 | } | |
| 274 | |||
| 275 | template <class FluidState> | ||
| 276 | 57013 | void updateMolarVolume_(const FluidState &fs, | |
| 277 | int phaseIdx) | ||
| 278 | { | ||
| 279 | 57013 | VmUpToDate_[phaseIdx] = true; | |
| 280 | |||
| 281 | // calculate molar volume of the phase (we will need this for the | ||
| 282 | // fugacity coefficients and the density anyway) | ||
| 283 |
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57013 | switch (phaseIdx) { |
| 284 | 19004 | case gPhaseIdx: { | |
| 285 | // calculate molar volumes for the given composition. although | ||
| 286 | // this isn't a Peng-Robinson parameter strictly speaking, the | ||
| 287 | // molar volume appears in basically every quantity the fluid | ||
| 288 | // system can get queried, so it is okay to calculate it | ||
| 289 | // here... | ||
| 290 | 19004 | Vm_[gPhaseIdx] = | |
| 291 | 19004 | PengRobinson::computeMolarVolume(fs, | |
| 292 | *this, | ||
| 293 | phaseIdx, | ||
| 294 | /*isGasPhase=*/true); | ||
| 295 | 19004 | break; | |
| 296 | } | ||
| 297 | 19005 | case oPhaseIdx: { | |
| 298 | // calculate molar volumes for the given composition. although | ||
| 299 | // this isn't a Peng-Robinson parameter strictly speaking, the | ||
| 300 | // molar volume appears in basically every quantity the fluid | ||
| 301 | // system can get queried, so it is okay to calculate it | ||
| 302 | // here... | ||
| 303 | 19005 | Vm_[oPhaseIdx] = | |
| 304 | 19005 | PengRobinson::computeMolarVolume(fs, | |
| 305 | *this, | ||
| 306 | phaseIdx, | ||
| 307 | /*isGasPhase=*/false); | ||
| 308 | 19005 | break; | |
| 309 | } | ||
| 310 | 19004 | case wPhaseIdx: { | |
| 311 | // Density of water in the stock tank (i.e. atmospheric | ||
| 312 | // pressure) is specified as 62.4 lb/ft^3 by the SPE-5 | ||
| 313 | // paper. Also 1 lb = 0.4535923 and 1 ft = 0.3048 m. | ||
| 314 | 19004 | const Scalar stockTankWaterDensity = 62.4 * 0.45359237 / 0.028316847; | |
| 315 | // Water compressibility is specified as 3.3e-6 per psi | ||
| 316 | // overpressure, where 1 psi = 6894.7573 Pa | ||
| 317 | 19004 | Scalar overPressure = fs.pressure(wPhaseIdx) - 1.013e5; // [Pa] | |
| 318 | 19004 | Scalar waterDensity = | |
| 319 | 19004 | stockTankWaterDensity * (1 + 3.3e-6*overPressure/6894.7573); | |
| 320 | |||
| 321 | // convert water density [kg/m^3] to molar volume [m^3/mol] | ||
| 322 | 19004 | Vm_[wPhaseIdx] = fs.averageMolarMass(wPhaseIdx)/waterDensity; | |
| 323 | 19004 | break; | |
| 324 | } | ||
| 325 | ✗ | default: | |
| 326 | ✗ | DUNE_THROW(Dune::InvalidStateException, "invalid phaseIdx " << phaseIdx); | |
| 327 | } | ||
| 328 | 57013 | } | |
| 329 | |||
| 330 | bool VmUpToDate_[numPhases]; | ||
| 331 | Scalar Vm_[numPhases]; | ||
| 332 | |||
| 333 | OilPhaseParams oilPhaseParams_; | ||
| 334 | GasPhaseParams gasPhaseParams_; | ||
| 335 | }; | ||
| 336 | |||
| 337 | } // end namespace Dumux | ||
| 338 | |||
| 339 | #endif | ||
| 340 |