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SimpleHuDuanH2O.hpp
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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 This file is part of the Open Porous Media project (OPM).
5
6 OPM is free software: you can redistribute it and/or modify
7 it under the terms of the GNU General Public License as published by
8 the Free Software Foundation, either version 2 of the License, or
9 (at your option) any later version.
10
11 OPM is distributed in the hope that it will be useful,
12 but WITHOUT ANY WARRANTY; without even the implied warranty of
13 MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
14 GNU General Public License for more details.
15
16 You should have received a copy of the GNU General Public License
17 along with OPM. If not, see <http://www.gnu.org/licenses/>.
18
19 Consult the COPYING file in the top-level source directory of this
20 module for the precise wording of the license and the list of
21 copyright holders.
22*/
27#ifndef OPM_SIMPLE_HU_DUAN_H2O_HPP
28#define OPM_SIMPLE_HU_DUAN_H2O_HPP
29
30#include "Component.hpp"
31#include "iapws/Common.hpp"
32
34#include <opm/common/TimingMacros.hpp>
35#include <opm/common/OpmLog/OpmLog.hpp>
36
39
40#include <cmath>
41#include <string_view>
42
43namespace Opm {
44
63template <class Scalar>
64class SimpleHuDuanH2O : public Component<Scalar, SimpleHuDuanH2O<Scalar>>
65{
68
69 static constexpr Scalar R = Constants<Scalar>::R / 18e-3; // specific gas constant of water
70
71public:
75 static std::string_view name()
76 { return "H2O"; }
77
81 static bool gasIsCompressible()
82 { return true; }
83
88 { return false; }
89
93 static bool gasIsIdeal()
94 { return true; }
95
99 static Scalar molarMass()
100 { return 18e-3; }
101
105 static Scalar criticalTemperature()
106 { return 647.096; /* [K] */ }
107
111 static Scalar criticalPressure()
112 { return 22.064e6; /* [N/m^2] */ }
113
117 static Scalar tripleTemperature()
118 { return 273.16; /* [K] */ }
119
123 static Scalar triplePressure()
124 { return 611.657; /* [N/m^2] */ }
125
138 template <class Evaluation>
139 static Evaluation vaporPressure(const Evaluation& T)
140 {
141
142 OPM_TIMEFUNCTION_LOCAL();
143 if (T > criticalTemperature())
144 return criticalPressure();
145 if (T < tripleTemperature())
146 return 0; // water is solid: We don't take sublimation into account
147
148 static constexpr Scalar n[10] = {
149 0.11670521452767e4, -0.72421316703206e6, -0.17073846940092e2,
150 0.12020824702470e5, -0.32325550322333e7, 0.14915108613530e2,
151 -0.48232657361591e4, 0.40511340542057e6, -0.23855557567849,
152 0.65017534844798e3
153 };
154
155 Evaluation sigma = T + n[8]/(T - n[9]);
156
157 Evaluation A = (sigma + n[0])*sigma + n[1];
158 Evaluation B = (n[2]*sigma + n[3])*sigma + n[4];
159 Evaluation C = (n[5]*sigma + n[6])*sigma + n[7];
160
161 Evaluation tmp = 2.0*C/(sqrt(B*B - 4.0*A*C) - B);
162 tmp *= tmp;
163 tmp *= tmp;
164
165 return 1e6*tmp;
166 }
167
174 template <class Evaluation>
175 static Evaluation gasEnthalpy(const Evaluation& temperature,
176 const Evaluation& /*pressure*/)
177 { return 1.976e3*temperature + 40.65e3/molarMass(); }
178
179
183 template <class Evaluation>
184 static Evaluation gasHeatCapacity(const Evaluation&,
185 const Evaluation&)
186 { return 1.976e3; }
187
197 template <class Evaluation>
198 static Evaluation liquidEnthalpy(const Evaluation& temperature,
199 const Evaluation& /*pressure*/)
200 { return (temperature - 288.71) * (4.18060737e+03 + 8.64644981e-02 * (temperature - 288.71)); }
201
205 template <class Evaluation>
206 static Evaluation liquidHeatCapacity(const Evaluation&,
207 const Evaluation&)
208 { return 4.184e3; }
209
223 template <class Evaluation>
224 static Evaluation gasInternalEnergy(const Evaluation& temperature,
225 const Evaluation& pressure)
226 {
227 return
228 gasEnthalpy(temperature, pressure) -
229 1/molarMass()* // conversion from [J/(mol K)] to [J/(kg K)]
230 IdealGas::R*temperature; // = pressure *spec. volume for an ideal gas
231 }
232
239 template <class Evaluation>
240 static Evaluation liquidInternalEnergy(const Evaluation& temperature,
241 const Evaluation& pressure,
242 bool extrapolate)
243 {
244 return
245 liquidEnthalpy(temperature, pressure) -
246 pressure/liquidDensity(temperature, pressure, extrapolate);
247 }
248
255 template <class Evaluation>
256 static Evaluation liquidThermalConductivity(const Evaluation& /*temperature*/,
257 const Evaluation& /*pressure*/)
258 {
259 return 0.578078; // conductivity of liquid water [W / (m K ) ] IAPWS evaluated at p=.1 MPa, T=8°C
260 }
261
268 template <class Evaluation>
269 static Evaluation gasThermalConductivity(const Evaluation& /*temperature*/,
270 const Evaluation& /*pressure*/)
271 {
272 return 0.028224; // conductivity of steam [W / (m K ) ] IAPWS evaluated at p=.1 MPa, T=8°C
273 }
274
281 template <class Evaluation>
282 static Evaluation gasDensity(const Evaluation& temperature, const Evaluation& pressure)
283 {
284 // Assume an ideal gas
285 return molarMass()*IdealGas::molarDensity(temperature, pressure);
286 }
287
294 template <class Evaluation>
295 static Evaluation gasPressure(const Evaluation& temperature, const Evaluation& density)
296 {
297 // Assume an ideal gas
298 return IdealGas::pressure(temperature, density/molarMass());
299 }
300
309 template <class Evaluation>
310 static Evaluation liquidDensity(const Evaluation& temperature, const Evaluation& pressure,
311 bool extrapolate)
312 {
313 return liquidDensity_(temperature, pressure, extrapolate);
314 }
315
322 template <class Evaluation>
323 static Evaluation liquidPressure(const Evaluation& /*temperature*/, const Evaluation& /*density*/)
324 {
325 throw std::logic_error("The liquid pressure is undefined for incompressible fluids");
326 }
327
335 template <class Evaluation>
336 static Evaluation gasViscosity(const Evaluation& /*temperature*/,
337 const Evaluation& /*pressure*/)
338 {
339 return 1e-05;
340 }
341
350 template <class Evaluation>
351 static Evaluation liquidViscosity(const Evaluation& temperature, const Evaluation& pressure,
352 bool extrapolate)
353 {
354 if (temperature > 570) {
355 const std::string msg =
356 "Viscosity of water based on Hu et al is too "
357 "different from IAPWS for T above 570K and (T = " +
358 std::to_string(getValue(temperature)) + ")";
359 if (extrapolate)
360 {
361 OpmLog::warning(msg);
362 }
363 else
364 throw NumericalProblem(msg);
365 }
366
367 const Evaluation rho = liquidDensity(temperature, pressure, extrapolate);
368 return Common::viscosity(temperature, rho);
369 }
370
371private:
372
381 template <class Evaluation>
382 static Evaluation liquidDensity_(const Evaluation& T, const Evaluation& pressure, bool extrapolate) {
383 // Hu, Duan, Zhu and Chou: PVTx properties of the CO2-H2O and CO2-H2O-NaCl
384 // systems below 647 K: Assessment of experimental data and
385 // thermodynamics models, Chemical Geology, 2007.
386 OPM_TIMEBLOCK_LOCAL(liquidDensity_);
387 if (T > 647 || pressure > 100e6) {
388 const std::string msg =
389 "Density of water is only implemented for temperatures "
390 "below 647K and pressures below 100MPa. (T = " +
391 std::to_string(getValue(T)) + ", p=" +
392 std::to_string(getValue(pressure)) + ")";
393 if (extrapolate)
394 {
395 OpmLog::warning(msg);
396 }
397 else
398 throw NumericalProblem(msg);
399 }
400
401 Evaluation p = pressure / 1e6; // to MPa
402 Scalar Mw = molarMass() * 1e3; //kg/kmol
403
404 static constexpr Scalar k0[5] = { 3.27225e-07, -4.20950e-04, 2.32594e-01, -4.16920e+01, 5.71292e+03 };
405 static constexpr Scalar k1[5] = { -2.32306e-10, 2.91138e-07, -1.49662e-04, 3.59860e-02, -3.55071 };
406 static constexpr Scalar k2[3] = { 2.57241e-14, -1.24336e-11, 5.42707e-07 };
407 static constexpr Scalar k3[3] = { -4.42028e-18, 2.10007e-15, -8.11491e-11 };
408 Evaluation k0_eval = 1e-3 * (((k0[0]*T + k0[1])*T + k0[2])*T + k0[3] + k0[4]/T);
409 Evaluation k1_eval = 1e-2 * (((k1[0]*T + k1[1])*T + k1[2])*T + k1[3] + k1[4]/T);
410 Evaluation k2_eval = 1e-1 * ((k2[0]*T + k2[1])*T*T + k2[2]);
411 Evaluation k3_eval = (k3[0]*T + k3[1])*T*T + k3[2];
412
413 // molar volum (m³/kmol):
414 Evaluation vw = ((k3_eval*p + k2_eval)*p + k1_eval)*p + k0_eval;
415
416 // density kg/m3
417 return Mw / vw;
418
419 }
420
421};
422
423} // namespace Opm
424
425#endif
Implements relations which are common for all regions of the IAPWS '97 formulation.
Abstract base class of a pure chemical species.
Provides the OPM specific exception classes.
Relations valid for an ideal gas.
A traits class which provides basic mathematical functions for arbitrary scalar floating point values...
Abstract base class of a pure chemical species.
Definition Component.hpp:44
A central place for various physical constants occuring in some equations.
Definition Constants.hpp:41
Implements relations which are common for all regions of the IAPWS '97 formulation.
Definition Common.hpp:55
static Evaluation viscosity(const Evaluation &temperature, const Evaluation &rho)
The dynamic viscosity of pure water.
Definition Common.hpp:102
Relations valid for an ideal gas.
Definition IdealGas.hpp:38
static const Scalar R
The ideal gas constant .
Definition IdealGas.hpp:41
static Evaluation pressure(const Evaluation &temperature, const Evaluation &rhoMolar)
The pressure of the gas in , depending on the molar density and temperature.
Definition IdealGas.hpp:58
static Evaluation molarDensity(const Evaluation &temperature, const Evaluation &pressure)
The molar density of the gas , depending on pressure and temperature.
Definition IdealGas.hpp:67
Definition Exceptions.hpp:40
A simple version of pure water with density from Hu et al.
Definition SimpleHuDuanH2O.hpp:65
static Evaluation gasThermalConductivity(const Evaluation &, const Evaluation &)
Specific heat conductivity of steam .
Definition SimpleHuDuanH2O.hpp:269
static Scalar tripleTemperature()
Returns the temperature at water's triple point.
Definition SimpleHuDuanH2O.hpp:117
static Evaluation gasDensity(const Evaluation &temperature, const Evaluation &pressure)
The density of steam at a given pressure and temperature.
Definition SimpleHuDuanH2O.hpp:282
static Evaluation gasPressure(const Evaluation &temperature, const Evaluation &density)
The pressure of steam in at a given density and temperature.
Definition SimpleHuDuanH2O.hpp:295
static Evaluation vaporPressure(const Evaluation &T)
The vapor pressure in of pure water at a given temperature.
Definition SimpleHuDuanH2O.hpp:139
static Evaluation liquidHeatCapacity(const Evaluation &, const Evaluation &)
Specific isobaric heat capacity of the component [J/kg] as a liquid.
Definition SimpleHuDuanH2O.hpp:206
static Evaluation liquidEnthalpy(const Evaluation &temperature, const Evaluation &)
Specific enthalpy of liquid water .
Definition SimpleHuDuanH2O.hpp:198
static Evaluation liquidViscosity(const Evaluation &temperature, const Evaluation &pressure, bool extrapolate)
The dynamic viscosity of pure water.
Definition SimpleHuDuanH2O.hpp:351
static Scalar criticalPressure()
Returns the critical pressure of water.
Definition SimpleHuDuanH2O.hpp:111
static Evaluation liquidDensity(const Evaluation &temperature, const Evaluation &pressure, bool extrapolate)
The density of pure water at a given pressure and temperature .
Definition SimpleHuDuanH2O.hpp:310
static Evaluation liquidPressure(const Evaluation &, const Evaluation &)
The pressure of water in at a given density and temperature.
Definition SimpleHuDuanH2O.hpp:323
static bool gasIsIdeal()
Returns true iff the gas phase is assumed to be ideal.
Definition SimpleHuDuanH2O.hpp:93
static Evaluation liquidThermalConductivity(const Evaluation &, const Evaluation &)
Specific heat conductivity of liquid water .
Definition SimpleHuDuanH2O.hpp:256
static bool gasIsCompressible()
Returns true iff the gas phase is assumed to be compressible.
Definition SimpleHuDuanH2O.hpp:81
static Scalar criticalTemperature()
Returns the critical temperature of water.
Definition SimpleHuDuanH2O.hpp:105
static bool liquidIsCompressible()
Returns true iff the liquid phase is assumed to be compressible.
Definition SimpleHuDuanH2O.hpp:87
static std::string_view name()
A human readable name for the water.
Definition SimpleHuDuanH2O.hpp:75
static Scalar molarMass()
The molar mass in of water.
Definition SimpleHuDuanH2O.hpp:99
static Evaluation gasViscosity(const Evaluation &, const Evaluation &)
The dynamic viscosity of steam.
Definition SimpleHuDuanH2O.hpp:336
static Evaluation gasEnthalpy(const Evaluation &temperature, const Evaluation &)
Specific enthalpy of water steam .
Definition SimpleHuDuanH2O.hpp:175
static Evaluation gasInternalEnergy(const Evaluation &temperature, const Evaluation &pressure)
Specific internal energy of steam .
Definition SimpleHuDuanH2O.hpp:224
static Evaluation gasHeatCapacity(const Evaluation &, const Evaluation &)
Specific isobaric heat capacity of the component [J/kg] as a gas.
Definition SimpleHuDuanH2O.hpp:184
static Evaluation liquidInternalEnergy(const Evaluation &temperature, const Evaluation &pressure, bool extrapolate)
Specific internal energy of liquid water .
Definition SimpleHuDuanH2O.hpp:240
static Scalar triplePressure()
Returns the pressure at water's triple point.
Definition SimpleHuDuanH2O.hpp:123
This class implements a small container which holds the transmissibility mulitpliers for all the face...
Definition Exceptions.hpp:30