Cantera 2.6.0

Nitrogen.cpp
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1//! @file Nitrogen.cpp
2
3// This file is part of Cantera. See License.txt in the top-level directory or
4// at https://cantera.org/license.txt for license and copyright information.
5
6#include "Nitrogen.h"
7#include "cantera/base/stringUtils.h"
8
9 using namespace Cantera;
10
11 namespace tpx
12{
13 static const double M = 28.01348,
14 Tmn = 63.15,
15 Tmx = 2000.0,
16 Tc = 126.200,
17 Pc = 3.4e6,
18 Roc = 314.03,
19 R = 2.96790515164171e2,
20 Gamma = 7.13602531283233e-6,
21 alpha = 1.95,
22 beta = 3353.40610,
23 u0 = 150877.551,
24 s0 = 214.9352518;
25
26 static const double Ann[] = {
27 1.75889959256970e-1, 1.38197604384933e1, -3.14918412133921e2,
28 4.40300150239380e3, -5.45358971644916e5, 4.84413320182919e-4,
29 -5.18964416491365e-2, 6.57265859197103e-4 ,8.51299771713314e4 ,
30 1.33459405162578e-8, 3.83381319826746e-4, -8.35421151028455e-2,
31 2.84874912286101e-7,
32 -2.38296116270360e-7, -1.48321912935764e-4, 5.62605853190540e-10,
33 -2.98201050924595e-13, 9.85319087685241e-11, -1.92002176056468e-14,
34 -7.82250103373122e4, -5.51801778744598e5, -5.72781957607352e-1,
35 3.25760529488327e2, -1.34659309828737e-6, -1.92036423064911e-5,
36 -3.94564337674524e-12,-2.44388245328965e-9, -1.50970602460077e-18,
37 1.25854885346038e-16,-8.34271144923969e-24, -1.17299202018417e-22,
38 9.06544823455730e-22
39};
40
41 static const double Fnn[]= {
42 8.3944094440e3, -1.8785191705e3, -7.2822291650,
43 1.0228509660e-2, 5.5560638250e-4,
44 -5.9445446620e-6, 2.7154339320e-8,
45 -4.8795359040e-11, 5.0953608240e2
46};
47
48 static const double Dnn[] = {
49 3.1402991e2, 4.4111015e2, 9.4622994e2 ,
50 -2.9067111e3, 4.4785979e3, -2.2746914e3
51};
52
53 static const double Gnn[] = {
54 -2.18203473713518e5, 1.01573580096247e4, -1.65504721657240e2,
55 7.43175999190430e2, -5.14605623546025e-3,
56 5.18347156760489e-6, -1.05922170493616e-9, 2.98389393363817e2
57};
58
59 double nitrogen::C(int i, double rt, double rt2)
60{
61 switch (i) {
62 case 0:
63 return Ann[0] * T + Ann[1] * sqrt(T)
64 + Ann[2] + (Ann[3] + Ann[4] * rt) * rt;
65 case 1:
66 return Ann[5] * T + Ann[6] + rt * (Ann[7] + Ann[8] * rt);
67 case 2:
68 return Ann[9] * T + Ann[10] + Ann[11] * rt;
69 case 3:
70 return Ann[12];
71 case 4:
72 return rt*(Ann[13] + Ann[14]*rt);
73 case 5:
74 return Ann[15]*rt;
75 case 6:
76 return rt*(Ann[16] + Ann[17]*rt);
77 case 7:
78 return Ann[18]*rt2;
79 case 8:
80 return rt2*(Ann[19] + Ann[20]*rt);
81 case 9:
82 return rt2*(Ann[21] + Ann[22]*rt2);
83 case 10:
84 return rt2*(Ann[23] + Ann[24]*rt);
85 case 11:
86 return rt2*(Ann[25] + Ann[26]*rt2);
87 case 12:
88 return rt2*(Ann[27] + Ann[28]*rt);
89 case 13:
90 return rt2*(Ann[29] + Ann[30]*rt + Ann[31]*rt2);
91 default:
92 return 0.0;
93 }
94}
95
96 double nitrogen::Cprime(int i, double rt, double rt2, double rt3)
97{
98 switch (i) {
99 case 0:
100 return Ann[0] + 0.5*Ann[1]/sqrt(T) - (Ann[3] + 2.0*Ann[4]*rt)*rt2;
101 case 1:
102 return Ann[5] - rt2*(Ann[7] + 2.0*Ann[8]*rt);
103 case 2:
104 return Ann[9] - Ann[11]*rt2;
105 case 3:
106 return 0.0;
107 case 4:
108 return -rt2*(Ann[13] + 2.0*Ann[14]*rt);
109 case 5:
110 return -Ann[15]*rt2;
111 case 6:
112 return -rt2*(Ann[16] + 2.0*Ann[17]*rt);
113 case 7:
114 return -2.0*Ann[18]*rt3;
115 case 8:
116 return -rt3*(2.0*Ann[19] + 3.0*Ann[20]*rt);
117 case 9:
118 return -rt3*(2.0*Ann[21] + 4.0*Ann[22]*rt2);
119 case 10:
120 return -rt3*(2.0*Ann[23] + 3.0*Ann[24]*rt);
121 case 11:
122 return -rt3*(2.0*Ann[25] + 4.0*Ann[26]*rt2);
123 case 12:
124 return -rt3*(2.0*Ann[27] + 3.0*Ann[28]*rt);
125 case 13:
126 return -rt3*(2.0*Ann[29] + 3.0*Ann[30]*rt + 4.0*Ann[31]*rt2);
127 default:
128 return 0.0;
129 }
130}
131
132 double nitrogen::W(int n, double egrho)
133{
134 return (n == 0 ? (1.0 - egrho)/(2.0*Gamma) :
135 (n*W(n-1, egrho) - 0.5*pow(Rho,2*n)*egrho)/Gamma);
136}
137
138 double nitrogen::H(int i, double egrho)
139{
140 return (i < 8 ? pow(Rho,i+2) : pow(Rho,2*i-13)*egrho);
141}
142
143 double nitrogen::I(int i, double egrho)
144{
145 return (i < 8 ? pow(Rho,i+1)/double(i+1) : W(i-8, egrho));
146}
147
148 double nitrogen::up()
149{
150 double rt = 1.0/T;
151 double rt2 = rt*rt;
152 double rt3 = rt*rt2;
153 double egrho = exp(-Gamma*Rho*Rho);
154
155 double sum = 0.0;
156 for (int i=0; i<14; i++) {
157 sum += (C(i,rt,rt2) - T*Cprime(i,rt,rt2,rt3))*I(i,egrho);
158 }
159 sum += (((0.25*Gnn[6]*T + Gnn[5]/3.0)*T
160 + 0.5*Gnn[4])*T + Gnn[3])*T + Gnn[2]*log(T)
161 - (Gnn[1] + 0.5*Gnn[0]*rt)*rt
162 + Gnn[7]*beta/(exp(beta*rt) - 1.0) + u0
163 + m_energy_offset;
164 return sum;
165}
166
167 double nitrogen::sp()
168{
169 double rt = 1.0/T;
170 double rt2 = rt*rt;
171 double rt3 = rt*rt2;
172 double egrho = exp(-Gamma*Rho*Rho);
173
174 double sum = 0.0;
175 sum = s0 + m_entropy_offset - R*log(Rho);
176 for (int i=0; i<14; i++) {
177 sum -= Cprime(i,rt,rt2,rt3)*I(i,egrho);
178 }
179 sum += (((Gnn[6]/3.0)*T + 0.5*Gnn[5])*T + Gnn[4])*T + Gnn[3]*log(T)
180 -((Gnn[0]*rt/3.0 + 0.5*Gnn[1])*rt + Gnn[2])*rt
181 + Gnn[7]*(beta*rt + beta*rt/(exp(beta*rt) - 1.0)
182 - log(exp(beta*rt) - 1.0));
183 return sum;
184}
185
186 double nitrogen::Pp()
187{
188 double rt = 1.0/T;
189 double rt2 = rt*rt;
190 double egrho = exp(-Gamma*Rho*Rho);
191
192 double P = Rho*R*T;
193 for (int i=0; i<14; i++) {
194 P += C(i,rt,rt2)*H(i,egrho);
195 }
196 return P;
197}
198
199 double nitrogen::Psat()
200{
201 double lnp;
202 int i;
203 if ((T < Tmn) || (T > Tc)) {
204 throw CanteraError("nitrogen::Psat",
205 "Temperature out of range. T = {}", T);
206 }
207 for (i=0, lnp=0; i<=7; i++) {
208 if (i==3) {
209 lnp+=Fnn[i]*pow(Tc-T, alpha);
210 } else {
211 lnp+=Fnn[i]*pow(T,i-1);
212 }
213 }
214 lnp+=Fnn[8]*log(T);
215 return exp(lnp);
216}
217
218 double nitrogen::ldens()
219{
220 double xx=1-T/Tc, sum=0;
221 if ((T < Tmn) || (T > Tc)) {
222 throw CanteraError("nitrogen::ldens",
223 "Temperature out of range. T = {}", T);
224 }
225 for (int i=0; i<=5; i++) {
226 sum+=Dnn[i]*pow(xx,double(i)/3.0);
227 }
228 return sum;
229}
230
231 double nitrogen::Tcrit()
232{
233 return Tc;
234}
235 double nitrogen::Pcrit()
236{
237 return Pc;
238}
239 double nitrogen::Vcrit()
240{
241 return 1.0/Roc;
242}
243 double nitrogen::Tmin()
244{
245 return Tmn;
246}
247 double nitrogen::Tmax()
248{
249 return Tmx;
250}
251 double nitrogen::MolWt()
252{
253 return M;
254}
255}
Nitrogen.h
Cantera::CanteraError
Base class for exceptions thrown by Cantera classes.
Definition: ctexceptions.h:61
tpx::Substance::P
double P()
Pressure [Pa].
Definition: Sub.cpp:48
tpx::nitrogen::Vcrit
double Vcrit()
Critical specific volume [m^3/kg].
Definition: Nitrogen.cpp:239
tpx::nitrogen::Tmax
double Tmax()
Maximum temperature for which the equation of state is valid.
Definition: Nitrogen.cpp:247
tpx::nitrogen::Tmin
double Tmin()
Minimum temperature for which the equation of state is valid.
Definition: Nitrogen.cpp:243
tpx::nitrogen::MolWt
double MolWt()
Molecular weight [kg/kmol].
Definition: Nitrogen.cpp:251
tpx::nitrogen::C
double C(int i, double rt, double rt2)
Equation P4 from Reynolds TPSI.
Definition: Nitrogen.cpp:59
tpx::nitrogen::sp
double sp()
Entropy of a single-phase state.
Definition: Nitrogen.cpp:167
tpx::nitrogen::Tcrit
double Tcrit()
Critical temperature [K].
Definition: Nitrogen.cpp:231
tpx::nitrogen::Pcrit
double Pcrit()
Critical pressure [Pa].
Definition: Nitrogen.cpp:235
tpx::nitrogen::Psat
double Psat()
Saturation pressure. Equation S4 from Reynolds TPSI.
Definition: Nitrogen.cpp:199
tpx::nitrogen::ldens
double ldens()
Liquid density. Equation D2 from Reynolds TPSI.
Definition: Nitrogen.cpp:218
tpx::nitrogen::up
double up()
Internal energy of a single-phase state.
Definition: Nitrogen.cpp:148
Cantera
Namespace for the Cantera kernel.
Definition: AnyMap.cpp:557
stringUtils.h
Contains declarations for string manipulation functions within Cantera.