Cantera 2.6.0

CarbonDioxide.cpp
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1/**
2 * @file CarbonDioxide.cpp representation of substance Carbon Dioxide.
3 *
4 * Values and functions are from "Thermodynamic Properties in SI" by W.C.
5 * Reynolds AUTHOR: me@rebeccahhunt.com: GCEP, Stanford University
6 */
7
8// This file is part of Cantera. See License.txt in the top-level directory or
9// at https://cantera.org/license.txt for license and copyright information.
10
11#include "CarbonDioxide.h"
12#include "cantera/base/stringUtils.h"
13
14 using namespace Cantera;
15
16 namespace tpx
17{
18
19/*
20 * Carbon Dioxide constants
21 */
22 static const double Tmn = 216.54; // [K] minimum temperature for which calculations are valid
23 static const double Tmx = 1500.0; // [K] maximum temperature for which calculations are valid
24 static const double Tc=304.21; // [K] critical temperature
25 static const double Roc=464.00; // [kg/m^3] critical density
26 static const double To=216.54; // [K] reference Temperature
27 static const double R=188.918; // [] gas constant for CO2 J/kg/K
28 static const double Gamma=5.0E-6; // [??]
29 static const double u0=3.2174105E5; // [] internal energy at To
30 static const double s0=2.1396056E3; // [] entropy at To
31 static const double Tp=250; // [K] ??
32 static const double Pc=7.38350E6; // [Pa] critical pressure
33 static const double M=44.01; // [kg/kmol] molar density
34
35// array Acarbdi is used by the function named Pp
36 static const double Acarbdi[]= {
37 2.2488558E-1,
38 -1.3717965E2,
39 -1.4430214E4,
40 -2.9630491E6,
41 -2.0606039E8,
42 4.5554393E-5,
43 7.7042840E-2,
44 4.0602371E1,
45 4.0029509E-7,
46 -3.9436077E-4,
47 1.2115286E-10,
48 1.0783386E-7,
49 4.3962336E-11,
50 -3.6505545E4,
51 1.9490511E7,
52 -2.9186718E9,
53 2.4358627E-2,
54 -3.7546530E1,
55 1.1898141E4
56};
57
58// array F is used by the function named Psat
59 static const double F[]= {
60 -6.5412610,
61 -2.7914636E-1,
62 -3.4716202,
63 -3.4989637,
64 -1.9770948E1,
65 1.3922839E2,
66 -2.7670389E2,
67 -7.0510251E3
68};
69
70// array D is used by the function ldens
71 static const double D[]= {
72 4.6400009E2,
73 6.7938129E2,
74 1.4776836E3,
75 -3.1267676E3,
76 3.6397656E3,
77 -1.3437098E3
78};
79
80// array G is used by the function sp
81 static const double G[]= {
82 8.726361E3,
83 1.840040E2,
84 1.914025,
85 -1.667825E-3,
86 7.305950E-7,
87 -1.255290E-10,
88};
89
90 double CarbonDioxide::C(int j,double Tinverse, double T2inverse, double T3inverse, double T4inverse)
91{
92 switch (j) {
93 case 0:
94 return Acarbdi[0]*T +
95 Acarbdi[1] +
96 Acarbdi[2] * Tinverse +
97 Acarbdi[3] * T2inverse +
98 Acarbdi[4] * T3inverse;
99 case 1:
100 return Acarbdi[5] *T +
101 Acarbdi[6] +
102 Acarbdi[7] * Tinverse;
103 case 2:
104 return Acarbdi[8]*T + Acarbdi[9];
105 case 3:
106 return Acarbdi[10]*T + Acarbdi[11];
107 case 4:
108 return Acarbdi[12];
109 case 5:
110 return Acarbdi[13] *T2inverse +
111 Acarbdi[14] *T3inverse +
112 Acarbdi[15] *T4inverse;
113 case 6:
114 return Acarbdi[16] *T2inverse +
115 Acarbdi[17] *T3inverse +
116 Acarbdi[18] *T4inverse;
117 default:
118 return 0.0;
119 }
120}
121
122 double CarbonDioxide::Cprime(int j, double T2inverse, double T3inverse, double T4inverse)
123{
124 switch (j) {
125 case 0:
126 return Acarbdi[0] +
127 - Acarbdi[2] * T2inverse +
128 -2 * Acarbdi[3] * T3inverse +
129 -3 * Acarbdi[4] * T4inverse;
130 case 1:
131 return Acarbdi[5] -
132 Acarbdi[7] * T2inverse;
133 case 2:
134 return Acarbdi[8];
135 case 3:
136 return Acarbdi[10];
137 case 4:
138 return 0;
139 case 5:
140 return
141 -2 *Acarbdi[13] *T3inverse +
142 -3 *Acarbdi[14] *T4inverse +
143 -4 *Acarbdi[15]* pow(T,-5);
144 case 6:
145 return
146 -2 *Acarbdi[16] *T3inverse +
147 -3 *Acarbdi[17] *T4inverse +
148 -4 *Acarbdi[18] *pow(T,-5);
149 default:
150 return 0.0;
151 }
152}
153
154 double CarbonDioxide::I(int j, double ergho, double Gamma)
155{
156 switch (j) {
157 case 0:
158 return Rho;
159 case 1:
160 return pow(Rho, 2)/2;
161 case 2:
162 return pow(Rho, 3)/ 3;
163 case 3:
164 return pow(Rho, 4)/ 4;
165 case 4:
166 return pow(Rho, 5)/ 5;
167 case 5:
168 return (1 - ergho) / double(2 * Gamma);
169 case 6:
170 return (1 - ergho * double(Gamma * pow(Rho,2) + double(1)))/ double(2 * Gamma * Gamma);
171 default:
172 return 0.0;
173 }
174}
175
176 double CarbonDioxide::H(int i, double egrho)
177{
178 if (i < 5) {
179 return pow(Rho,i+2);
180 } else if (i == 5) {
181 return pow(Rho,3)*egrho;
182 } else if (i == 6) {
183 return pow(Rho,5)*egrho;
184 } else {
185 return 0;
186 }
187}
188
189 double CarbonDioxide::up()
190{
191 double Tinverse = 1.0/T;
192 double T2inverse = pow(T, -2);
193 double T3inverse = pow(T, -3);
194 double T4inverse = pow(T, -4);
195 double egrho = exp(-Gamma*Rho*Rho);
196
197 double sum = 0.0;
198 // Equation C-6 integrated
199 sum += G[0]*log(T/To);
200 int i;
201 for (i=1; i<=5; i++) {
202 sum += G[i]*(pow(T,i) - pow(To,i))/double(i);
203 }
204 for (i=0; i<=6; i++) {
205 sum += I(i,egrho, Gamma) *
206 (C(i, Tinverse, T2inverse, T3inverse, T4inverse) - T*Cprime(i,T2inverse, T3inverse, T4inverse));
207 }
208 sum += u0;
209 return sum + m_energy_offset;
210}
211
212 double CarbonDioxide::sp()
213{
214 double T2inverse = pow(T, -2);
215 double T3inverse = pow(T, -3);
216 double T4inverse = pow(T, -4);
217 double egrho = exp(-Gamma*Rho*Rho);
218
219 double sum = 0.0;
220 for (int i=2; i<=5; i++) {
221 sum += G[i]*(pow(T,i-1) - pow(To,i-1))/double(i-1);
222 }
223 sum += G[1]*log(T/To);
224 sum -= G[0]*(1.0/T - 1.0/To);
225 for (int i=0; i<=6; i++) {
226 sum -= Cprime(i,T2inverse, T3inverse, T4inverse)*I(i,egrho,Gamma);
227 }
228 sum += s0 - R*log(Rho);
229 return sum + m_entropy_offset;
230}
231
232 double CarbonDioxide::Pp()
233{
234 double Tinverse = pow(T,-1);
235 double T2inverse = pow(T, -2);
236 double T3inverse = pow(T, -3);
237 double T4inverse = pow(T, -4);
238 double egrho = exp(-Gamma*Rho*Rho);
239 double P = Rho*R*T;
240
241 // when i=0 we are on second sum of equation (where rho^2)
242 for (int i=0; i<=6; i++) {
243 P += C(i,Tinverse, T2inverse, T3inverse, T4inverse)*H(i,egrho);
244 }
245 return P;
246}
247
248 double CarbonDioxide::Psat()
249{
250 double log, sum=0,P;
251 if ((T < Tmn) || (T > Tc)) {
252 throw CanteraError("CarbonDixoide::Psat",
253 "Temperature out of range. T = {}", T);
254 }
255 for (int i=1; i<=8; i++) {
256 sum += F[i-1] * pow((T/Tp -1),double(i-1));
257 }
258
259 log = ((Tc/T)-1)*sum;
260 P=exp(log)*Pc;
261 return P;
262}
263
264 double CarbonDioxide::ldens()
265{
266 double xx=1-(T/Tc), sum=0;
267 if ((T < Tmn) || (T > Tc)) {
268 throw CanteraError("CarbonDixoide::ldens",
269 "Temperature out of range. T = {}", T);
270 }
271 for (int i=1; i<=6; i++) {
272 sum+=D[i-1]*pow(xx,double(i-1)/3.0);
273 }
274 return sum;
275}
276
277// The following functions allow users to get the properties of CarbonDioxide
278// that are not dependent on the state
279
280 double CarbonDioxide::Tcrit()
281{
282 return Tc;
283}
284 double CarbonDioxide::Pcrit()
285{
286 return Pc;
287}
288 double CarbonDioxide::Vcrit()
289{
290 return 1.0/Roc;
291}
292 double CarbonDioxide::Tmin()
293{
294 return Tmn;
295}
296 double CarbonDioxide::Tmax()
297{
298 return Tmx;
299}
300 double CarbonDioxide::MolWt()
301{
302 return M;
303}
304
305}
CarbonDioxide.h
Cantera::CanteraError
Base class for exceptions thrown by Cantera classes.
Definition: ctexceptions.h:61
tpx::CarbonDioxide::Vcrit
double Vcrit()
Critical specific volume [m^3/kg].
Definition: CarbonDioxide.cpp:288
tpx::CarbonDioxide::Tmax
double Tmax()
Maximum temperature for which the equation of state is valid.
Definition: CarbonDioxide.cpp:296
tpx::CarbonDioxide::Tmin
double Tmin()
Minimum temperature for which the equation of state is valid.
Definition: CarbonDioxide.cpp:292
tpx::CarbonDioxide::MolWt
double MolWt()
Molecular weight [kg/kmol].
Definition: CarbonDioxide.cpp:300
tpx::CarbonDioxide::I
double I(int i, double, double)
Definition: CarbonDioxide.cpp:154
tpx::CarbonDioxide::sp
double sp()
entropy. See Reynolds eqn (16) section 2
Definition: CarbonDioxide.cpp:212
tpx::CarbonDioxide::Tcrit
double Tcrit()
Critical temperature [K].
Definition: CarbonDioxide.cpp:280
tpx::CarbonDioxide::H
double H(int i, double egrho)
Definition: CarbonDioxide.cpp:176
tpx::CarbonDioxide::C
double C(int jm, double, double, double, double)
Definition: CarbonDioxide.cpp:90
tpx::CarbonDioxide::Pp
double Pp()
Pressure. Equation P-3 in Reynolds. P(rho, T).
Definition: CarbonDioxide.cpp:232
tpx::CarbonDioxide::Pcrit
double Pcrit()
Critical pressure [Pa].
Definition: CarbonDioxide.cpp:284
tpx::CarbonDioxide::Psat
double Psat()
Pressure at Saturation. Equation S-2 in Reynolds.
Definition: CarbonDioxide.cpp:248
tpx::CarbonDioxide::ldens
double ldens()
Liquid density. Equation D2 in Reynolds.
Definition: CarbonDioxide.cpp:264
tpx::CarbonDioxide::up
double up()
Definition: CarbonDioxide.cpp:189
tpx::CarbonDioxide::Cprime
double Cprime(int i, double, double, double)
Derivative of C(i)
Definition: CarbonDioxide.cpp:122
tpx::Substance::P
double P()
Pressure [Pa].
Definition: Sub.cpp:48
Cantera
Namespace for the Cantera kernel.
Definition: AnyMap.cpp:557
stringUtils.h
Contains declarations for string manipulation functions within Cantera.