My Project
Loading...
Searching...
No Matches
Xylene.hpp
Go to the documentation of this file.
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_XYLENE_HPP
28#define OPM_XYLENE_HPP
29
33
35
36#include <cmath>
37#include <string_view>
38
39namespace Opm {
46template <class Scalar>
47class Xylene : public Component<Scalar, Xylene<Scalar> >
48{
50 typedef ::Opm::IdealGas<Scalar> IdealGas;
51
52public:
56 static std::string_view name()
57 { return "xylene"; }
58
62 static Scalar molarMass()
63 { return 0.106; }
64
68 static Scalar criticalTemperature()
69 { return 617.1; }
70
74 static Scalar criticalPressure()
75 { return 35.4e5; }
76
80 static Scalar tripleTemperature()
81 { throw std::runtime_error("Not implemented: tripleTemperature for xylene"); }
82
86 static Scalar triplePressure()
87 { throw std::runtime_error("Not implemented: triplePressure for xylene"); }
88
95 template <class Evaluation>
96 static Evaluation vaporPressure(const Evaluation& temperature)
97 {
98 const Scalar A = 7.00909;;
99 const Scalar B = 1462.266;;
100 const Scalar C = 215.110;;
101
102 return 100*1.334*pow(10.0, (A - (B/(temperature - 273.15 + C))));
103 }
104
113 template <class Evaluation>
114 static Evaluation spHeatCapLiquidPhase(const Evaluation& temperature, const Evaluation& /*pressure*/)
115 {
116 Evaluation CH3,C6H5,H;
117 // after Reid et al. : Missenard group contrib. method (s. example 5-8)
118 // Xylene: C9H12 : 3* CH3 ; 1* C6H5 (phenyl-ring) ; -2* H (this was too much!)
119 // linear interpolation between table values [J/(mol K)]
120
121 if(temperature < 298.0){ // take care: extrapolation for Temperature<273
122 H = 13.4 + 1.2*(temperature - 273.0)/25.0; // 13.4 + 1.2 = 14.6 = H(T=298K) i.e. interpolation of table values 273<T<298
123 CH3 = 40.0 + 1.6*(temperature - 273.0)/25.0; // 40 + 1.6 = 41.6 = CH3(T=298K)
124 C6H5 = 113.0 + 4.2*(temperature - 273.0)/25.0; // 113 + 4.2 = 117.2 = C6H5(T=298K)
125 }
126 else if(temperature < 323.0){
127 H = 14.6 + 0.9*(temperature - 298.0)/25.0; // i.e. interpolation of table values 298<T<323
128 CH3 = 41.6 + 1.9*(temperature - 298.0)/25.0;
129 C6H5 = 117.2 + 6.2*(temperature - 298.0)/25.0;
130 }
131 else if(temperature < 348.0){
132 H = 15.5 + 1.2*(temperature - 323.0)/25.0; // i.e. interpolation of table values 323<T<348
133 CH3 = 43.5 + 2.3*(temperature - 323.0)/25.0;
134 C6H5 = 123.4 + 6.3*(temperature - 323.0)/25.0;
135 }
136 else {
137 H = 16.7 + 2.1*(temperature - 348.0)/25.0; // i.e. interpolation of table values 348<T<373
138 CH3 = 45.8 + 2.5*(temperature - 348.0)/25.0; // take care: extrapolation for Temperature>373
139 C6H5 = 129.7 + 6.3*(temperature - 348.0)/25.0; // most likely leads to underestimation
140 }
141
142 return (C6H5 + 2*CH3 - H)/molarMass();// J/(mol K) -> J/(kg K)
143 }
144
145
149 template <class Evaluation>
150 static Evaluation liquidEnthalpy(const Evaluation& temperature, const Evaluation& pressure)
151 {
152 // Gauss quadrature rule:
153 // Interval: [0K; temperature (K)]
154 // Gauss-Legendre-Integration with variable transformation:
155 // \int_a^b f(T) dT \approx (b-a)/2 \sum_i=1^n \alpha_i f( (b-a)/2 x_i + (a+b)/2 )
156 // with: n=2, legendre -> x_i = +/- \sqrt(1/3), \apha_i=1
157 // here: a=0, b=actual temperature in Kelvin
158 // \leadsto h(T) = \int_0^T c_p(T) dT
159 // \approx 0.5 T * (cp( (0.5-0.5*\sqrt(1/3)) T) + cp((0.5+0.5*\sqrt(1/3)) T))
160 // = 0.5 T * (cp(0.2113 T) + cp(0.7887 T) )
161
162 // enthalpy may have arbitrary reference state, but the empirical/fitted heatCapacity function needs Kelvin as input
163 return 0.5*temperature*(spHeatCapLiquidPhase(Evaluation(0.2113*temperature),pressure)
164 + spHeatCapLiquidPhase(Evaluation(0.7887*temperature),pressure));
165 }
166
170 static Scalar boilingTemperature()
171 { return 412.3; }
172
181 template <class Evaluation>
182 static Evaluation heatVap(Evaluation temperature,
183 const Evaluation& /*pressure*/)
184 {
185 temperature = min(temperature, criticalTemperature()); // regularization
186 temperature = max(temperature, 0.0); // regularization
187
188 const Scalar T_crit = criticalTemperature();
189 const Scalar Tr1 = boilingTemperature()/criticalTemperature();
190 const Scalar p_crit = criticalPressure();
191
192 // Chen method, eq. 7-11.4 (at boiling)
193 const Scalar DH_v_boil = Consts::R * T_crit * Tr1
194 * (3.978 * Tr1 - 3.958 + 1.555*std::log(p_crit * 1e-5 /*Pa->bar*/ ) )
195 / (1.07 - Tr1); /* [J/mol] */
196
197 /* Variation with temperature according to Watson relation eq 7-12.1*/
198 const Evaluation& Tr2 = temperature/criticalTemperature();
199 const Scalar n = 0.375;
200 const Evaluation& DH_vap = DH_v_boil * pow(((1.0 - Tr2)/(1.0 - Tr1)), n);
201
202 return (DH_vap/molarMass()); // we need [J/kg]
203 }
204
211 template <class Evaluation>
212 static Evaluation gasEnthalpy(const Evaluation& temperature, const Evaluation& pressure)
213 {
214 return liquidEnthalpy(temperature, pressure) + heatVap(temperature, pressure);
215 }
216
220 template <class Evaluation>
221 static Evaluation gasDensity(const Evaluation& temperature, const Evaluation& pressure)
222 {
223 return IdealGas::density(Evaluation(molarMass()), temperature, pressure);
224 }
225
232 template <class Evaluation>
233 static Evaluation molarGasDensity(const Evaluation& temperature, const Evaluation& pressure)
234 {
235 return gasDensity(temperature, pressure) / molarMass();
236 }
237
247 template <class Evaluation>
248 static Evaluation molarLiquidDensity(Evaluation temperature, const Evaluation& /*pressure*/)
249 {
250 // saturated molar volume according to Lide, CRC Handbook of
251 // Thermophysical and Thermochemical Data, CRC Press, 1994
252 // valid for 245 < Temperature < 600
253 temperature = min(temperature, 500.0); // regularization
254 temperature = max(temperature, 250.0); // regularization
255
256 const Scalar A1 = 0.25919; // from table
257 const Scalar A2 = 0.0014569; // from table
258 const Evaluation& expo = 1.0 + pow((1.0 - temperature/criticalTemperature()), (2.0/7.0));
259 return 1.0/(A2*pow(A1, expo));
260 }
261
265 template <class Evaluation>
266 static Evaluation liquidDensity(const Evaluation& temperature, const Evaluation& pressure)
267 { return molarLiquidDensity(temperature, pressure)*molarMass(); }
268
272 static bool gasIsCompressible()
273 { return true; }
274
278 static bool gasIsIdeal()
279 { return true; }
280
285 { return false; }
286
290 template <class Evaluation>
291 static Evaluation gasViscosity(Evaluation temperature, const Evaluation& /*pressure*/)
292 {
293 temperature = min(temperature, 500.0); // regularization
294 temperature = max(temperature, 250.0); // regularization
295
296 const Evaluation& Tr = max(temperature/criticalTemperature(), 1e-10);
297 const Scalar Fp0 = 1.0;
298 const Scalar xi = 0.004623;
299 const Evaluation& eta_xi = Fp0*(0.807*pow(Tr, 0.618)
300 - 0.357*exp(-0.449*Tr)
301 + 0.34*exp(-4.058*Tr)
302 + 0.018);
303 return eta_xi/xi / 1e7; // [Pa s]
304 }
305
309 template <class Evaluation>
310 static Evaluation liquidViscosity(Evaluation temperature, const Evaluation& /*pressure*/)
311 {
312 temperature = min(temperature, 500.0); // regularization
313 temperature = max(temperature, 250.0); // regularization
314
315 const Scalar A = -3.82;
316 const Scalar B = 1027.0;
317 const Scalar C = -6.38e-4;
318 const Scalar D = 4.52e-7;
319
320 return 1e-3*exp(A
321 + B/temperature
322 + C*temperature
323 + D*temperature*temperature); // in [cP]
324 }
325};
326
327} // namespace Opm
328
329#endif
Abstract base class of a pure chemical species.
A central place for various physical constants occuring in some equations.
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
static const Scalar R
The ideal gas constant [J/(mol K)].
Definition Constants.hpp:45
Relations valid for an ideal gas.
Definition IdealGas.hpp:38
static Evaluation density(const Evaluation &avgMolarMass, const Evaluation &temperature, const Evaluation &pressure)
The density of the gas in , depending on pressure, temperature and average molar mass of the gas.
Definition IdealGas.hpp:48
Component for Xylene.
Definition Xylene.hpp:48
static Evaluation liquidViscosity(Evaluation temperature, const Evaluation &)
The dynamic liquid viscosity of the pure component.
Definition Xylene.hpp:310
static Evaluation gasDensity(const Evaluation &temperature, const Evaluation &pressure)
The density in of the component at a given pressure in and temperature in .
Definition Xylene.hpp:221
static Evaluation vaporPressure(const Evaluation &temperature)
The saturation vapor pressure in of pure xylene at a given temperature according to Antoine after Be...
Definition Xylene.hpp:96
static Evaluation gasEnthalpy(const Evaluation &temperature, const Evaluation &pressure)
Specific enthalpy of the pure component in gas.
Definition Xylene.hpp:212
static bool liquidIsCompressible()
Returns true iff the liquid phase is assumed to be compressible.
Definition Xylene.hpp:284
static Evaluation molarLiquidDensity(Evaluation temperature, const Evaluation &)
The molar density of pure xylene at a given pressure and temperature .
Definition Xylene.hpp:248
static Evaluation spHeatCapLiquidPhase(const Evaluation &temperature, const Evaluation &)
Specific heat cap of liquid xylene .
Definition Xylene.hpp:114
static Scalar criticalTemperature()
Returns the critical temperature of xylene.
Definition Xylene.hpp:68
static Evaluation liquidEnthalpy(const Evaluation &temperature, const Evaluation &pressure)
Specific enthalpy of the pure component in liquid.
Definition Xylene.hpp:150
static Scalar tripleTemperature()
Returns the temperature at xylene's triple point.
Definition Xylene.hpp:80
static Scalar molarMass()
The molar mass in of xylene.
Definition Xylene.hpp:62
static Evaluation heatVap(Evaluation temperature, const Evaluation &)
Latent heat of vaporization for xylene .
Definition Xylene.hpp:182
static std::string_view name()
A human readable name for the xylene.
Definition Xylene.hpp:56
static Evaluation gasViscosity(Evaluation temperature, const Evaluation &)
The dynamic viscosity of the pure component at a given pressure in and temperature in .
Definition Xylene.hpp:291
static Evaluation molarGasDensity(const Evaluation &temperature, const Evaluation &pressure)
The density of xylene gas at a given pressure and temperature.
Definition Xylene.hpp:233
static Scalar triplePressure()
Returns the pressure at xylene's triple point.
Definition Xylene.hpp:86
static Scalar boilingTemperature()
Returns the temperature at xylene's boiling point (1 atm).
Definition Xylene.hpp:170
static Evaluation liquidDensity(const Evaluation &temperature, const Evaluation &pressure)
The density of the liquid component at a given pressure in and temperature in .
Definition Xylene.hpp:266
static bool gasIsIdeal()
Returns true iff the gas phase is assumed to be ideal.
Definition Xylene.hpp:278
static bool gasIsCompressible()
Returns true iff the gas phase is assumed to be compressible.
Definition Xylene.hpp:272
static Scalar criticalPressure()
Returns the critical pressure of xylene.
Definition Xylene.hpp:74
This class implements a small container which holds the transmissibility mulitpliers for all the face...
Definition Exceptions.hpp:30