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CO2.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*/
28#ifndef OPM_CO2_HPP
29#define OPM_CO2_HPP
30
31#include <opm/common/TimingMacros.hpp>
32#include <opm/common/ErrorMacros.hpp>
33#include <opm/common/utility/gpuDecorators.hpp>
39#include <opm/material/components/CO2Tables.hpp>
40
41#include <cmath>
42#include <string_view>
43
44namespace Opm {
45
56template <class Scalar, class ParamsT = Opm::CO2Tables<double, std::vector<double>>>
57class CO2 : public Component<Scalar, CO2<Scalar>>
58{
59public:
60 using Params = ParamsT;
61
62 static constexpr const Scalar brineSalinity = 1.000000000000000e-01;
63
67 OPM_HOST_DEVICE static std::string_view name()
68 { return "CO2"; }
69
73 OPM_HOST_DEVICE static Scalar molarMass()
74 { return 44e-3; }
75
79 OPM_HOST_DEVICE static Scalar criticalTemperature()
80 { return 273.15 + 30.95; /* [K] */ }
81
85 OPM_HOST_DEVICE static Scalar criticalPressure()
86 { return 73.8e5; /* [N/m^2] */ }
87
91 OPM_HOST_DEVICE static Scalar tripleTemperature()
92 { return 273.15 - 56.35; /* [K] */ }
93
97 OPM_HOST_DEVICE static Scalar triplePressure()
98 { return 5.11e5; /* [N/m^2] */ }
99
103// static Scalar minTabulatedPressure()
104// { return tabulatedEnthalpy.minPress(); /* [N/m^2] */ }
105
109// static Scalar maxTabulatedPressure()
110// { return tabulatedEnthalpy.maxPress(); /* [N/m^2] */ }
111
115// static Scalar minTabulatedTemperature()
116// { return tabulatedEnthalpy.minTemp(); /* [N/m^2] */ }
117
121// static Scalar maxTabulatedTemperature()
122// { return tabulatedEnthalpy.maxTemp(); /* [N/m^2] */ }
123
136 template <class Evaluation>
137 OPM_HOST_DEVICE static Evaluation vaporPressure(const Evaluation& T)
138 {
139 static constexpr Scalar a[4] =
140 { -7.0602087, 1.9391218, -1.6463597, -3.2995634 };
141 static constexpr Scalar t[4] =
142 { 1.0, 1.5, 2.0, 4.0 };
143
144 // this is on page 1524 of the reference
145 Evaluation exponent = 0;
146 Evaluation Tred = T/criticalTemperature();
147 for (int i = 0; i < 4; ++i)
148 exponent += a[i]*pow(1 - Tred, t[i]);
149 exponent *= 1.0/Tred;
150
151 return exp(exponent)*criticalPressure();
152 }
153
154
158 OPM_HOST_DEVICE static bool gasIsCompressible()
159 { return true; }
160
164 OPM_HOST_DEVICE static bool gasIsIdeal()
165 { return false; }
166
170 template <class Evaluation>
171 OPM_HOST_DEVICE static Evaluation gasEnthalpy(const Params& params,
172 const Evaluation& temperature,
173 const Evaluation& pressure,
174 bool extrapolate = false)
175 {
176 return params.tabulatedEnthalpy.eval(temperature, pressure, extrapolate);
177 }
178
183 template <class Evaluation>
184 OPM_HOST_DEVICE static Evaluation gasEnthalpy([[maybe_unused]] const Evaluation& temperature,
185 [[maybe_unused]] const Evaluation& pressure,
186 [[maybe_unused]] bool extrapolate = false)
187 {
188 OPM_THROW(std::runtime_error, "This function should not be called");
189 }
190
194 template <class Evaluation>
195 OPM_HOST_DEVICE static Evaluation gasInternalEnergy(const Params& params,
196 const Evaluation& temperature,
197 const Evaluation& pressure,
198 bool extrapolate = false)
199 {
200 const Evaluation h = gasEnthalpy(params, temperature, pressure, extrapolate);
201 const Evaluation rho = gasDensity(params, temperature, pressure, extrapolate);
202
203 return h - (pressure / rho);
204 }
205
210 template <class Evaluation>
211 OPM_HOST_DEVICE static Evaluation gasInternalEnergy([[maybe_unused]] const Evaluation& temperature,
212 [[maybe_unused]] const Evaluation& pressure,
213 [[maybe_unused]] bool extrapolate = false)
214 {
215 OPM_THROW(std::runtime_error, "This function should not be called");
216 }
217
221 template <class Evaluation>
222 OPM_HOST_DEVICE static Evaluation gasDensity(const Params& params,
223 const Evaluation& temperature,
224 const Evaluation& pressure,
225 bool extrapolate = false)
226 {
227 return params.tabulatedDensity.eval(temperature, pressure, extrapolate);
228 }
229
234 template <class Evaluation>
235 OPM_HOST_DEVICE static Evaluation gasDensity([[maybe_unused]] const Evaluation& temperature,
236 [[maybe_unused]] const Evaluation& pressure,
237 [[maybe_unused]] bool extrapolate = false)
238 {
239 OPM_THROW(std::runtime_error, "This function should not be called");
240 }
241
248 template <class Evaluation>
249 OPM_HOST_DEVICE static Evaluation gasViscosity(const Params& params,
250 Evaluation temperature,
251 const Evaluation& pressure,
252 bool extrapolate = false)
253 {
254 OPM_TIMEFUNCTION_LOCAL();
255 constexpr Scalar a0 = 0.235156;
256 constexpr Scalar a1 = -0.491266;
257 constexpr Scalar a2 = 5.211155e-2;
258 constexpr Scalar a3 = 5.347906e-2;
259 constexpr Scalar a4 = -1.537102e-2;
260
261 constexpr Scalar d11 = 0.4071119e-2;
262 constexpr Scalar d21 = 0.7198037e-4;
263 constexpr Scalar d64 = 0.2411697e-16;
264 constexpr Scalar d81 = 0.2971072e-22;
265 constexpr Scalar d82 = -0.1627888e-22;
266
267 constexpr Scalar ESP = 251.196;
268
269 if(temperature < 275.) // regularization
270 temperature = 275.0;
271 Evaluation TStar = temperature/ESP;
272
273 // mu0: viscosity in zero-density limit
274 const Evaluation logTStar = log(TStar);
275 Evaluation SigmaStar = exp(a0 + logTStar*(a1 + logTStar*(a2 + logTStar*(a3 + logTStar*a4))));
276
277 Evaluation mu0 = 1.00697*sqrt(temperature) / SigmaStar;
278
279 const Evaluation rho = gasDensity(params, temperature, pressure, extrapolate); // CO2 mass density [kg/m^3]
280
281 // dmu : excess viscosity at elevated density
282 Evaluation dmu =
283 d11*rho
284 + d21*rho*rho
285 + d64*pow(rho, 6.0)/(TStar*TStar*TStar)
286 + d81*pow(rho, 8.0)
287 + d82*pow(rho, 8.0)/TStar;
288
289 return (mu0 + dmu)/1.0e6; // conversion to [Pa s]
290 }
291
297 template <class Evaluation>
298 OPM_HOST_DEVICE static Evaluation gasViscosity([[maybe_unused]] Evaluation temperature,
299 [[maybe_unused]] const Evaluation& pressure,
300 [[maybe_unused]] bool extrapolate = false)
301 {
302 OPM_THROW(std::runtime_error, "This function should not be called");
303 }
304
315 template <class Evaluation>
316 OPM_HOST_DEVICE static Evaluation gasHeatCapacity(const Params& params, const Evaluation& temperature, const Evaluation& pressure)
317 {
318 OPM_TIMEFUNCTION_LOCAL();
319 constexpr Scalar eps = 1e-6;
320 // NB!! should be changed to using the derivative from the table (if piecwise linear double derivate is zero).
321 // use central differences here because one-sided methods do
322 // not come with a performance improvement. (central ones are
323 // more accurate, though...)
324 const Evaluation h1 = gasEnthalpy(params, temperature - eps, pressure);
325 const Evaluation h2 = gasEnthalpy(params, temperature + eps, pressure);
326
327 return (h2 - h1) / (2*eps) ;
328 }
329
335 template <class Evaluation>
336 OPM_HOST_DEVICE static Evaluation gasHeatCapacity([[maybe_unused]] const Evaluation& temperature, [[maybe_unused]] const Evaluation& pressure)
337 {
338 OPM_THROW(std::runtime_error, "This function should not be called");
339 }
340};
341
342} // namespace Opm
343
344#endif
Abstract base class of a pure chemical species.
Relations valid for an ideal gas.
A traits class which provides basic mathematical functions for arbitrary scalar floating point values...
Implements a scalar function that depends on two variables and which is sampled on an uniform X-Y gri...
A class for the CO2 fluid properties.
Definition CO2.hpp:58
static OPM_HOST_DEVICE std::string_view name()
A human readable name for the CO2.
Definition CO2.hpp:67
static OPM_HOST_DEVICE Scalar tripleTemperature()
Returns the temperature [K]at CO2's triple point.
Definition CO2.hpp:91
static OPM_HOST_DEVICE Evaluation gasDensity(const Evaluation &temperature, const Evaluation &pressure, bool extrapolate=false)
The density of CO2 at a given pressure and temperature [kg/m^3].
Definition CO2.hpp:235
static OPM_HOST_DEVICE Evaluation gasDensity(const Params &params, const Evaluation &temperature, const Evaluation &pressure, bool extrapolate=false)
The density of CO2 at a given pressure and temperature [kg/m^3].
Definition CO2.hpp:222
static OPM_HOST_DEVICE Scalar criticalPressure()
Returns the critical pressure [Pa] of CO2.
Definition CO2.hpp:85
static OPM_HOST_DEVICE Scalar molarMass()
The mass in [kg] of one mole of CO2.
Definition CO2.hpp:73
static OPM_HOST_DEVICE bool gasIsIdeal()
Returns true iff the gas phase is assumed to be ideal.
Definition CO2.hpp:164
static OPM_HOST_DEVICE Evaluation gasHeatCapacity(const Params &params, const Evaluation &temperature, const Evaluation &pressure)
Specific isobaric heat capacity of the component [J/kg] as a liquid.
Definition CO2.hpp:316
static OPM_HOST_DEVICE Scalar criticalTemperature()
Returns the critical temperature [K] of CO2.
Definition CO2.hpp:79
static OPM_HOST_DEVICE Evaluation gasHeatCapacity(const Evaluation &temperature, const Evaluation &pressure)
Specific isobaric heat capacity of the component [J/kg] as a liquid.
Definition CO2.hpp:336
static OPM_HOST_DEVICE Evaluation vaporPressure(const Evaluation &T)
Returns the pressure [Pa] at CO2's triple point.
Definition CO2.hpp:137
static OPM_HOST_DEVICE Evaluation gasInternalEnergy(const Params &params, const Evaluation &temperature, const Evaluation &pressure, bool extrapolate=false)
Specific internal energy of CO2 [J/kg].
Definition CO2.hpp:195
static OPM_HOST_DEVICE Evaluation gasViscosity(Evaluation temperature, const Evaluation &pressure, bool extrapolate=false)
The dynamic viscosity [Pa s] of CO2.
Definition CO2.hpp:298
static OPM_HOST_DEVICE bool gasIsCompressible()
Returns true iff the gas phase is assumed to be compressible.
Definition CO2.hpp:158
static OPM_HOST_DEVICE Evaluation gasEnthalpy(const Evaluation &temperature, const Evaluation &pressure, bool extrapolate=false)
Specific enthalpy of gaseous CO2 [J/kg].
Definition CO2.hpp:184
static OPM_HOST_DEVICE Scalar triplePressure()
Returns the pressure [Pa] at CO2's triple point.
Definition CO2.hpp:97
static OPM_HOST_DEVICE Evaluation gasEnthalpy(const Params &params, const Evaluation &temperature, const Evaluation &pressure, bool extrapolate=false)
Specific enthalpy of gaseous CO2 [J/kg].
Definition CO2.hpp:171
static OPM_HOST_DEVICE Evaluation gasViscosity(const Params &params, Evaluation temperature, const Evaluation &pressure, bool extrapolate=false)
The dynamic viscosity [Pa s] of CO2.
Definition CO2.hpp:249
static OPM_HOST_DEVICE Evaluation gasInternalEnergy(const Evaluation &temperature, const Evaluation &pressure, bool extrapolate=false)
Specific internal energy of CO2 [J/kg].
Definition CO2.hpp:211
Abstract base class of a pure chemical species.
Definition Component.hpp:44
This class implements a small container which holds the transmissibility mulitpliers for all the face...
Definition Exceptions.hpp:30