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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 Components | ||
| 10 | * \brief A simple implementation of pure water | ||
| 11 | */ | ||
| 12 | #ifndef DUMUX_SIMPLE_H2O_HH | ||
| 13 | #define DUMUX_SIMPLE_H2O_HH | ||
| 14 | |||
| 15 | #include <dumux/common/parameters.hh> | ||
| 16 | #include <dumux/material/idealgas.hh> | ||
| 17 | |||
| 18 | #include <cmath> | ||
| 19 | |||
| 20 | #include <dumux/material/components/base.hh> | ||
| 21 | #include <dumux/material/components/liquid.hh> | ||
| 22 | #include <dumux/material/components/gas.hh> | ||
| 23 | |||
| 24 | namespace Dumux::Components { | ||
| 25 | |||
| 26 | /*! | ||
| 27 | * \ingroup Components | ||
| 28 | * \brief A simple implementation of pure water | ||
| 29 | * | ||
| 30 | * \tparam Scalar The type used for scalar values | ||
| 31 | */ | ||
| 32 | template <class Scalar> | ||
| 33 | class SimpleH2O | ||
| 34 | : public Components::Base<Scalar, SimpleH2O<Scalar> > | ||
| 35 | , public Components::Liquid<Scalar, SimpleH2O<Scalar> > | ||
| 36 | , public Components::Gas<Scalar, SimpleH2O<Scalar> > | ||
| 37 | { | ||
| 38 | using IdealGas = Dumux::IdealGas<Scalar>; | ||
| 39 | |||
| 40 | public: | ||
| 41 | /*! | ||
| 42 | * \brief A human readable name for the water. | ||
| 43 | */ | ||
| 44 | static std::string name() | ||
| 45 |
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48 | { return "SimpleH2O"; } |
| 46 | |||
| 47 | /*! | ||
| 48 | * \brief The molar mass in \f$\mathrm{[kg/mol]}\f$ of water. | ||
| 49 | */ | ||
| 50 | static constexpr Scalar molarMass() | ||
| 51 | { return 18e-3; } | ||
| 52 | |||
| 53 | /*! | ||
| 54 | * \brief Returns the critical temperature \f$\mathrm{[K]}\f$ of water. | ||
| 55 | */ | ||
| 56 | static Scalar criticalTemperature() | ||
| 57 | { return 647.096; /* [K] */ } | ||
| 58 | |||
| 59 | /*! | ||
| 60 | * \brief Returns the critical pressure \f$\mathrm{[Pa]}\f$ of water. | ||
| 61 | */ | ||
| 62 | static Scalar criticalPressure() | ||
| 63 | { return 22.064e6; /* [N/m^2] */ } | ||
| 64 | |||
| 65 | /*! | ||
| 66 | * \brief Returns the temperature \f$\mathrm{[K]}\f$ at water's triple point. | ||
| 67 | */ | ||
| 68 | static Scalar tripleTemperature() | ||
| 69 | { return 273.16; /* [K] */ } | ||
| 70 | |||
| 71 | /*! | ||
| 72 | * \brief Returns the pressure \f$\mathrm{[Pa]}\f$ at water's triple point. | ||
| 73 | */ | ||
| 74 | static Scalar triplePressure() | ||
| 75 | { return 611.657; /* [N/m^2] */ } | ||
| 76 | |||
| 77 | /*! | ||
| 78 | * \brief The vapor pressure in \f$\mathrm{[Pa]}\f$ of pure water | ||
| 79 | * at a given temperature. | ||
| 80 | * | ||
| 81 | *\param T temperature of component in \f$\mathrm{[K]}\f$ | ||
| 82 | * | ||
| 83 | * See: | ||
| 84 | * | ||
| 85 | * IAPWS: "Revised Release on the IAPWS Industrial Formulation | ||
| 86 | * 1997 for the Thermodynamic Properties of Water and Steam", | ||
| 87 | * http://www.iapws.org/relguide/IF97-Rev.pdf \cite IAPWS1997 | ||
| 88 | */ | ||
| 89 | 179227 | static Scalar vaporPressure(Scalar T) | |
| 90 | { | ||
| 91 |
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179227 | if (T > criticalTemperature()) |
| 92 | return criticalPressure(); | ||
| 93 |
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179227 | if (T < tripleTemperature()) |
| 94 | return 0; // water is solid: We don't take sublimation into account | ||
| 95 | |||
| 96 | constexpr Scalar n[10] = { | ||
| 97 | 0.11670521452767e4, -0.72421316703206e6, -0.17073846940092e2, | ||
| 98 | 0.12020824702470e5, -0.32325550322333e7, 0.14915108613530e2, | ||
| 99 | -0.48232657361591e4, 0.40511340542057e6, -0.23855557567849, | ||
| 100 | 0.65017534844798e3 | ||
| 101 | }; | ||
| 102 | |||
| 103 | 179226 | const Scalar sigma = T + n[8]/(T - n[9]); | |
| 104 | |||
| 105 | 179226 | const Scalar A = (sigma + n[0])*sigma + n[1]; | |
| 106 | 179226 | const Scalar B = (n[2]*sigma + n[3])*sigma + n[4]; | |
| 107 | 179226 | const Scalar C = (n[5]*sigma + n[6])*sigma + n[7]; | |
| 108 | |||
| 109 | using std::sqrt; | ||
| 110 | 179226 | const Scalar term = 2.0*C/(sqrt(B*B - 4.0*A*C) - B); | |
| 111 | |||
| 112 | 179226 | return 1e6*term*term*term*term; | |
| 113 | } | ||
| 114 | |||
| 115 | /*! | ||
| 116 | * \brief Specific enthalpy of water steam \f$\mathrm{[J/kg]}\f$. | ||
| 117 | * | ||
| 118 | * \param temperature temperature of component in \f$\mathrm{[K]}\f$ | ||
| 119 | * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$ | ||
| 120 | */ | ||
| 121 | 1132820 | static const Scalar gasEnthalpy(Scalar temperature, | |
| 122 | Scalar pressure) | ||
| 123 | { | ||
| 124 |
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1132820 | static const Scalar tRef = getParam<Scalar>("SimpleH2O.ReferenceTemperature", 293.15); |
| 125 | 1132820 | return gasHeatCapacity(temperature, pressure)*(temperature - tRef) + vaporizationEnthalpy(); | |
| 126 | } | ||
| 127 | |||
| 128 | /*! | ||
| 129 | * \brief Specific enthalpy of liquid water \f$\mathrm{[J/kg]}\f$. | ||
| 130 | * | ||
| 131 | * \param temperature temperature of component in \f$\mathrm{[K]}\f$ | ||
| 132 | * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$ | ||
| 133 | */ | ||
| 134 | 3720978 | static const Scalar liquidEnthalpy(Scalar temperature, | |
| 135 | Scalar pressure) | ||
| 136 | { | ||
| 137 |
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3720978 | static const Scalar tRef = getParam<Scalar>("SimpleH2O.ReferenceTemperature", 293.15); |
| 138 | 3720978 | return liquidHeatCapacity(temperature, pressure)*(temperature - tRef) | |
| 139 | 3720978 | + pressure/liquidDensity(temperature, pressure); | |
| 140 | } | ||
| 141 | |||
| 142 | /*! | ||
| 143 | * \brief The vaporization enthalpy in \f$\mathrm{[J/kg]}\f$ needed to vaporize one kilogram of the liquid water to the gaseous state depending on temperature as found in: C. O. Popiel & J. Wojtkowiak (1998) Simple Formulas for Thermophysical Properties of Liquid Water for Heat Transfer Calculations (from 0°C to 150°C), DOI:10.1080/01457639808939929 | ||
| 144 | */ | ||
| 145 | 1132820 | static Scalar vaporizationEnthalpy() | |
| 146 | { | ||
| 147 | 1132820 | constexpr Scalar A = 2500.304; | |
| 148 | 1132820 | constexpr Scalar B = -2.2521025; | |
| 149 | 1132820 | constexpr Scalar C = -0.021465847; | |
| 150 | 1132820 | constexpr Scalar D = 3.1750136e-4 ; | |
| 151 | 1132820 | constexpr Scalar E = -2.8607959e-5; | |
| 152 | |||
| 153 | //tRef in °C | ||
| 154 |
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1132820 | static const Scalar tRef = getParam<Scalar>("SimpleH2O.ReferenceTemperature", 293.15) - 273.15; |
| 155 | |||
| 156 | using std::pow; | ||
| 157 |
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1132820 | static const Scalar vaporizationEnthalpy = A + B*tRef + C*(pow(tRef, 1.5)) + D*(pow(tRef, 2.5)) + E*(pow(tRef, 3)); |
| 158 | 1132820 | return vaporizationEnthalpy * 1e3; // kJ/kg to J/kg | |
| 159 | } | ||
| 160 | |||
| 161 | |||
| 162 | /*! | ||
| 163 | * \brief Specific internal energy of steam \f$\mathrm{[J/kg]}\f$. | ||
| 164 | * | ||
| 165 | * Definition of enthalpy: \f$h= u + pv = u + p / \rho\f$. | ||
| 166 | * Rearranging for internal energy yields: \f$u = h - pv\f$. | ||
| 167 | * Exploiting the Ideal Gas assumption (\f$pv = R_{\textnormal{specific}} T\f$)gives: \f$u = h - R / M T \f$. | ||
| 168 | * | ||
| 169 | * The universal gas constant can only be used in the case of molar formulations. | ||
| 170 | * \param temperature temperature of component in \f$\mathrm{[K]}\f$ | ||
| 171 | * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$ | ||
| 172 | */ | ||
| 173 | static const Scalar gasInternalEnergy(Scalar temperature, | ||
| 174 | Scalar pressure) | ||
| 175 | { | ||
| 176 | // 1/molarMass: conversion from [J/(mol K)] to [J/(kg K)] | ||
| 177 | // R*T/molarMass: pressure *spec. volume for an ideal gas | ||
| 178 | return gasEnthalpy(temperature, pressure) | ||
| 179 | - 1.0/molarMass()*IdealGas::R*temperature; | ||
| 180 | } | ||
| 181 | |||
| 182 | /*! | ||
| 183 | * \brief Specific internal energy of liquid water \f$\mathrm{[J/kg]}\f$. | ||
| 184 | * | ||
| 185 | * \param temperature temperature of component in \f$\mathrm{[K]}\f$ | ||
| 186 | * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$ | ||
| 187 | */ | ||
| 188 | static const Scalar liquidInternalEnergy(Scalar temperature, | ||
| 189 | Scalar pressure) | ||
| 190 | { | ||
| 191 | return liquidEnthalpy(temperature, pressure) | ||
| 192 | - pressure/liquidDensity(temperature, pressure); | ||
| 193 | } | ||
| 194 | |||
| 195 | /*! | ||
| 196 | * \brief Returns true if the gas phase is assumed to be compressible | ||
| 197 | */ | ||
| 198 | static constexpr bool gasIsCompressible() | ||
| 199 | { return true; } | ||
| 200 | |||
| 201 | /*! | ||
| 202 | * \brief Returns true if the liquid phase is assumed to be compressible | ||
| 203 | */ | ||
| 204 | static constexpr bool liquidIsCompressible() | ||
| 205 | { return false; } | ||
| 206 | |||
| 207 | /*! | ||
| 208 | * \brief Returns true if the gas phase viscosity is constant | ||
| 209 | */ | ||
| 210 | static constexpr bool gasViscosityIsConstant() | ||
| 211 | { return true; } | ||
| 212 | |||
| 213 | /*! | ||
| 214 | * \brief Returns true if the liquid phase viscosity is constant | ||
| 215 | */ | ||
| 216 | static constexpr bool liquidViscosityIsConstant() | ||
| 217 | { return true; } | ||
| 218 | |||
| 219 | /*! | ||
| 220 | * \brief The density \f$\mathrm{[kg/m^3]}\f$ of steam at a given pressure and temperature. | ||
| 221 | * | ||
| 222 | * \param temperature temperature of component in \f$\mathrm{[K]}\f$ | ||
| 223 | * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$ | ||
| 224 | */ | ||
| 225 | static Scalar gasDensity(Scalar temperature, Scalar pressure) | ||
| 226 | { | ||
| 227 | // Assume an ideal gas | ||
| 228 |
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2979710 | return IdealGas::density(molarMass(), temperature, pressure); |
| 229 | } | ||
| 230 | |||
| 231 | /*! | ||
| 232 | * \brief The molar density of steam in \f$\mathrm{[mol/m^3]}\f$ at a given pressure and temperature. | ||
| 233 | * | ||
| 234 | * \param temperature temperature of component in \f$\mathrm{[K]}\f$ | ||
| 235 | * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$ | ||
| 236 | * | ||
| 237 | */ | ||
| 238 | static Scalar gasMolarDensity(Scalar temperature, Scalar pressure) | ||
| 239 | 8 | { return IdealGas::molarDensity(temperature, pressure); } | |
| 240 | |||
| 241 | /*! | ||
| 242 | * \brief Returns true if the gas phase is assumed to be ideal | ||
| 243 | */ | ||
| 244 | static constexpr bool gasIsIdeal() | ||
| 245 | { return true; } | ||
| 246 | |||
| 247 | /*! | ||
| 248 | * \brief The pressure of steam in \f$\mathrm{[Pa]}\f$ at a given density and temperature. | ||
| 249 | * | ||
| 250 | * \param temperature temperature of component in \f$\mathrm{[K]}\f$ | ||
| 251 | * \param density density of component in \f$\mathrm{[kg/m^3]}\f$ | ||
| 252 | */ | ||
| 253 | static Scalar gasPressure(Scalar temperature, Scalar density) | ||
| 254 | { | ||
| 255 | // Assume an ideal gas | ||
| 256 | 18 | return IdealGas::pressure(temperature, density/molarMass()); | |
| 257 | } | ||
| 258 | |||
| 259 | /*! | ||
| 260 | * \brief The density of pure water at a given pressure and temperature \f$\mathrm{[kg/m^3]}\f$. | ||
| 261 | * | ||
| 262 | * \param temperature temperature of component in \f$\mathrm{[K]}\f$ | ||
| 263 | * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$ | ||
| 264 | */ | ||
| 265 | ✗ | static Scalar liquidDensity(Scalar temperature, Scalar pressure) | |
| 266 | { | ||
| 267 | 1440 | return 1000.0; | |
| 268 | } | ||
| 269 | |||
| 270 | /*! | ||
| 271 | * \brief The molar density of pure water in \f$\mathrm{[mol/m^3]}\f$ at a given pressure and temperature. | ||
| 272 | * | ||
| 273 | * \param temperature temperature of component in \f$\mathrm{[K]}\f$ | ||
| 274 | * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$ | ||
| 275 | * | ||
| 276 | */ | ||
| 277 | ✗ | static Scalar liquidMolarDensity(Scalar temperature, Scalar pressure) | |
| 278 | 5471009 | { return liquidDensity(temperature, pressure)/molarMass(); } | |
| 279 | |||
| 280 | /*! | ||
| 281 | * \brief The pressure of water in \f$\mathrm{[Pa]}\f$ at a given density and temperature. | ||
| 282 | * | ||
| 283 | * \param temperature temperature of component in \f$\mathrm{[K]}\f$ | ||
| 284 | * \param density density of component in \f$\mathrm{[kg/m^3]}\f$ | ||
| 285 | */ | ||
| 286 | static Scalar liquidPressure(Scalar temperature, Scalar density) | ||
| 287 | { | ||
| 288 | DUNE_THROW(Dune::InvalidStateException, | ||
| 289 | "The liquid pressure is undefined for incompressible fluids"); | ||
| 290 | } | ||
| 291 | |||
| 292 | /*! | ||
| 293 | * \brief The dynamic viscosity \f$\mathrm{[Pa*s]}\f$ of steam. | ||
| 294 | * | ||
| 295 | * \param temperature temperature of component in \f$\mathrm{[K]}\f$ | ||
| 296 | * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$ | ||
| 297 | */ | ||
| 298 | ✗ | static Scalar gasViscosity(Scalar temperature, Scalar pressure) | |
| 299 | { | ||
| 300 | ✗ | return 1e-05; | |
| 301 | } | ||
| 302 | |||
| 303 | /*! | ||
| 304 | * \brief The dynamic viscosity \f$\mathrm{[Pa*s]}\f$ of pure water. | ||
| 305 | * | ||
| 306 | * \param temperature temperature of component in \f$\mathrm{[K]}\f$ | ||
| 307 | * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$ | ||
| 308 | */ | ||
| 309 | ✗ | static Scalar liquidViscosity(Scalar temperature, Scalar pressure) | |
| 310 | { | ||
| 311 | 1440 | return 1e-03; | |
| 312 | } | ||
| 313 | |||
| 314 | /*! | ||
| 315 | * \brief Specific isobaric heat capacity of the component \f$\mathrm{[J/(kg*K)]}\f$ as a liquid. | ||
| 316 | * source: http://webbook.nist.gov/cgi/fluid.cgi?ID=C7732185&Action=Page | ||
| 317 | * @ T= 281.15K (8°C) , p=0.1MPa) | ||
| 318 | * \param temperature absolute temperature in \f$\mathrm{[K]}\f$ | ||
| 319 | * \param pressure of the phase in \f$\mathrm{[Pa]}\f$ | ||
| 320 | */ | ||
| 321 | ✗ | static Scalar liquidHeatCapacity(Scalar temperature, Scalar pressure) | |
| 322 | { | ||
| 323 | ✗ | return 4180.0; | |
| 324 | } | ||
| 325 | |||
| 326 | /*! | ||
| 327 | * \brief Thermal conductivity \f$\mathrm{[W/(m*K)]}\f$ of water. | ||
| 328 | * source: http://webbook.nist.gov/cgi/fluid.cgi?ID=C7732185&Action=Page | ||
| 329 | * @ T= 372.76K (99.6°C) , p=0.1MPa) | ||
| 330 | * \param temperature absolute temperature in \f$\mathrm{[K]}\f$ | ||
| 331 | * \param pressure of the phase in \f$\mathrm{[Pa]}\f$ | ||
| 332 | */ | ||
| 333 | ✗ | static Scalar liquidThermalConductivity(Scalar temperature, Scalar pressure) | |
| 334 | { | ||
| 335 | ✗ | return 0.679; | |
| 336 | } | ||
| 337 | |||
| 338 | /*! | ||
| 339 | * \brief Thermal conductivity \f$\mathrm{[W/(m*K)]}\f$ of steam. | ||
| 340 | * source: http://webbook.nist.gov/cgi/fluid.cgi?ID=C7732185&Action=Page | ||
| 341 | * @ T= 372.76K (99.6°C) , p=0.1MPa) | ||
| 342 | * \param temperature absolute temperature in \f$\mathrm{[K]}\f$ | ||
| 343 | * \param pressure of the phase in \f$\mathrm{[Pa]}\f$ | ||
| 344 | */ | ||
| 345 | ✗ | static Scalar gasThermalConductivity(Scalar temperature, Scalar pressure) | |
| 346 | { | ||
| 347 | ✗ | return 0.025; | |
| 348 | } | ||
| 349 | |||
| 350 | /*! | ||
| 351 | * \brief Specific isobaric heat capacity of water steam \f$\mathrm{[J/(kg*K)]}\f$. | ||
| 352 | * source: http://webbook.nist.gov/cgi/fluid.cgi?ID=C7732185&Action=Page | ||
| 353 | * @ T= 372.76K (99.6°C) , p=0.1MPa) | ||
| 354 | * \param temperature temperature of component in \f$\mathrm{[K]}\f$ | ||
| 355 | * \param pressure pressure of component in \f$\mathrm{[Pa]}\f$ | ||
| 356 | */ | ||
| 357 | ✗ | static Scalar gasHeatCapacity(Scalar temperature, Scalar pressure) | |
| 358 | { | ||
| 359 | ✗ | return 2.08e3; | |
| 360 | } | ||
| 361 | |||
| 362 | }; | ||
| 363 | |||
| 364 | template <class Scalar> | ||
| 365 | struct IsAqueous<SimpleH2O<Scalar>> : public std::true_type {}; | ||
| 366 | |||
| 367 | } // end namespace Dumux::Components | ||
| 368 | |||
| 369 | #endif | ||
| 370 |