Cantera  3.1.0a1
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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"
13
14using namespace Cantera;
15
16namespace tpx
17{
18
19/*
20 * Carbon Dioxide constants
21 */
22static const double Tmn = 216.54; // [K] minimum temperature for which calculations are valid
23static const double Tmx = 1500.0; // [K] maximum temperature for which calculations are valid
24static const double Tc=304.21; // [K] critical temperature
25static const double Roc=464.00; // [kg/m^3] critical density
26static const double To=216.54; // [K] reference Temperature
27static const double R=188.918; // [] gas constant for CO2 J/kg/K
28static const double Gamma=5.0E-6; // [??]
29static const double u0=3.2174105E5; // [] internal energy at To
30static const double s0=2.1396056E3; // [] entropy at To
31static const double Tp=250; // [K] ??
32static const double Pc=7.38350E6; // [Pa] critical pressure
33static const double M=44.01; // [kg/kmol] molar density
34
35// array Acarbdi is used by the function named Pp
36static 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
59static 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
71static 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
81static 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
90double 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
122double 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
154double 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
176double 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
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
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
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
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
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
281{
282 return Tc;
283}
285{
286 return Pc;
287}
289{
290 return 1.0/Roc;
291}
293{
294 return Tmn;
295}
297{
298 return Tmx;
299}
301{
302 return M;
303}
304
305}
Base class for exceptions thrown by Cantera classes.
double Tmax() override
Maximum temperature for which the equation of state is valid.
double up() override
internal energy.
double ldens() override
Liquid density. Equation D2 in Reynolds.
double I(int i, double, double)
I = integral from o-rho { 1/(rho^2) * H(i, rho) d rho } ( see section 2 of Reynolds TPSI )
double Tmin() override
Minimum temperature for which the equation of state is valid.
double Tcrit() override
Critical temperature [K].
double sp() override
entropy. See Reynolds eqn (16) section 2
double Pp() override
Pressure. Equation P-3 in Reynolds. P(rho, T).
double MolWt() override
Molecular weight [kg/kmol].
double H(int i, double egrho)
H returns a multiplier in each term of the sum in P-3.
double C(int jm, double, double, double, double)
C returns a multiplier in each term of the sum in P-3, used in conjunction with C in the function Pp.
double Vcrit() override
Critical specific volume [m^3/kg].
double Pcrit() override
Critical pressure [Pa].
double Psat() override
Pressure at Saturation. Equation S-2 in Reynolds.
double Cprime(int i, double, double, double)
Derivative of C(i)
double P()
Pressure [Pa].
Definition Sub.cpp:35
Namespace for the Cantera kernel.
Definition AnyMap.cpp:564
Contains declarations for string manipulation functions within Cantera.