Cantera  3.1.0a1
Hydrogen.cpp
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1 //! @file Hydrogen.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 "Hydrogen.h"
8 
9 using namespace Cantera;
10 
11 namespace tpx
12 {
13 static const double
14 M = 2.0159,
15 Tmn = 13.8,
16 Tmx = 5000.0,
17 Tc = 32.938,
18 Pc = 1.2838e6,
19 Roc= 31.36,
20 To = 13.8,
21 Tt = 13.8,
22 Pt = 7042.09,
23 R = 4124.299539,
24 Gamma = 1.008854772e-3,
25 u0 = 3.9275114e5,
26 s0 = 2.3900333e4,
27 T1 = 35,
28 T2 = 400,
29 alpha = 1.5814454428, //to be used with psat
30 alpha1 = .3479; //to be used with ldens
31 
32 static const double Ahydro[] = {
33  1.150470519352900e1, 1.055427998826072e3, -1.270685949968568e4,
34  7.287844527295619e4, -7.448780703363973e5, 2.328994151810363e-1,
35  -1.635308393739296e1, 3.730678064960389e3, 6.299667723184813e5,
36  1.210920358305697e-3, 1.753651095884817, -1.367022988058101e2,
37  -6.869936641299885e-3, 3.644494201750974e-2, -2.559784772600182,
38  -4.038855202905836e-4, 1.485396303520942e-6, 4.243613981060742e-4,
39  -2.307910113586888e-6, -6.082192173879582e5, -1.961080967486886e6,
40  -5.786932854076408e2, 2.799129504191752e4, -2.381566558300913e-1,
41  8.918796032452872e-1, -6.985739539036644e-5, -7.339554179182899e-3,
42  -5.597033440289980e-9, 8.842130160884514e-8, -2.655507264539047e-12,
43  -4.544474518140164e-12, 9.818775257001922e-11
44 };
45 static const double Dhydro[]= {
46  4.8645813003e1, -3.4779278180e1, 4.0776538192e2,
47  -1.1719787304e3, 1.6213924400e3, -1.1531096683e3, 3.3825492039e2
48 };
49 static const double Fhydro[]=
50 { 3.05300134164, 2.80810925813, -6.55461216567e-1, 1.59514439374 };
51 static const double Ghydro[]= {
52  6.1934792e3, 2.9490437e2, -1.5401979e3, -4.9176101e3,
53  6.8957165e4, -2.2282185e5, 3.7990059e5, -3.7094216e5, 2.1326792e5,
54  -7.1519411e4, 1.2971743e4, -9.8533014e2, 1.0434776e4,
55  -3.9144179e2, 5.8277696e2, 6.5409163e2, -1.8728847e2
56 };
57 
58 double hydrogen::C(int i, double rt, double rt2)
59 {
60  switch (i) {
61  case 0:
62  return Ahydro[0] * T + Ahydro[1] * sqrt(T) + Ahydro[2] + (Ahydro[3] + Ahydro[4] * rt) * rt;
63  case 1:
64  return Ahydro[5] * T + Ahydro[6] + rt * (Ahydro[7] + Ahydro[8] * rt);
65  case 2:
66  return Ahydro[9] * T + Ahydro[10] + Ahydro[11] * rt;
67  case 3:
68  return Ahydro[12];
69  case 4:
70  return rt*(Ahydro[13] + Ahydro[14]*rt);
71  case 5:
72  return Ahydro[15]*rt;
73  case 6:
74  return rt*(Ahydro[16] + Ahydro[17]*rt);
75  case 7:
76  return Ahydro[18]*rt2;
77  case 8:
78  return rt2*(Ahydro[19] + Ahydro[20]*rt);
79  case 9:
80  return rt2*(Ahydro[21] + Ahydro[22]*rt2);
81  case 10:
82  return rt2*(Ahydro[23] + Ahydro[24]*rt);
83  case 11:
84  return rt2*(Ahydro[25] + Ahydro[26]*rt2);
85  case 12:
86  return rt2*(Ahydro[27] + Ahydro[28]*rt);
87  case 13:
88  return rt2*(Ahydro[29] + Ahydro[30]*rt + Ahydro[31]*rt2);
89  default:
90  return 0.0;
91  }
92 }
93 
94 double hydrogen::Cprime(int i, double rt, double rt2, double rt3)
95 {
96  switch (i) {
97  case 0:
98  return Ahydro[0] + 0.5*Ahydro[1]/sqrt(T) - (Ahydro[3] + 2.0*Ahydro[4]*rt)*rt2;
99  case 1:
100  return Ahydro[5] - rt2*(Ahydro[7] + 2.0*Ahydro[8]*rt);
101  case 2:
102  return Ahydro[9] - Ahydro[11]*rt2;
103  case 3:
104  return 0.0;
105  case 4:
106  return -rt2*(Ahydro[13] + 2.0*Ahydro[14]*rt);
107  case 5:
108  return -Ahydro[15]*rt2;
109  case 6:
110  return -rt2*(Ahydro[16] + 2.0*Ahydro[17]*rt);
111  case 7:
112  return -2.0*Ahydro[18]*rt3;
113  case 8:
114  return -rt3*(2.0*Ahydro[19] + 3.0*Ahydro[20]*rt);
115  case 9:
116  return -rt3*(2.0*Ahydro[21] + 4.0*Ahydro[22]*rt2);
117  case 10:
118  return -rt3*(2.0*Ahydro[23] + 3.0*Ahydro[24]*rt);
119  case 11:
120  return -rt3*(2.0*Ahydro[25] + 4.0*Ahydro[26]*rt2);
121  case 12:
122  return -rt3*(2.0*Ahydro[27] + 3.0*Ahydro[28]*rt);
123  case 13:
124  return -rt3*(2.0*Ahydro[29] + 3.0*Ahydro[30]*rt + 4.0*Ahydro[31]*rt2);
125  default:
126  return 0.0;
127  }
128 }
129 
130 double hydrogen::W(int n, double egrho)
131 {
132  return (n == 0 ? (1.0 - egrho)/(2.0*Gamma) :
133  (n*W(n-1, egrho) - 0.5*pow(Rho,2*n)*egrho)/Gamma);
134 }
135 
136 double hydrogen::H(int i, double egrho)
137 {
138  return (i < 8 ? pow(Rho,i+2) : pow(Rho,2*i-13)*egrho);
139 }
140 
141 double hydrogen::I(int i, double egrho)
142 {
143  return (i < 8 ? pow(Rho,i+1)/double(i+1) : W(i-8, egrho));
144 }
145 
146 double hydrogen::icv(int i, double x, double xlg)
147 {
148  return (i == 0 ? x - 1 : x*pow(xlg,i) - i*icv(i-1,x,xlg));
149 }
150 
151 double hydrogen::up()
152 {
153  double rt = 1.0/T;
154  double rt2 = rt*rt;
155  double rt3 = rt*rt2;
156  double egrho = exp(-Gamma*Rho*Rho);
157  double sum = u0;
158  for (int i=0; i<14; i++) {
159  sum += (C(i, rt, rt2) - T*Cprime(i, rt, rt2, rt3))*I(i, egrho);
160  }
161 
162  // add \int c_{v,0} term
163  sum += Ghydro[0] * (std::min(T, T1) - To);
164  if (T > T1) {
165  double x = std::min(T, T2) / T1;
166  for (int i = 0; i < 12; i++) {
167  sum += Ghydro[i] * T1 * icv(i, x, log(x));
168  }
169  }
170  if (T > T2) {
171  double x = T/T2;
172  for (int i = 0; i < 5; i++) {
173  sum += Ghydro[i+12] * T2 * icv(i, x, log(x));
174  }
175  }
176  return sum + m_energy_offset;
177 }
178 
179 double hydrogen::sp()
180 {
181  double rt = 1.0/T;
182  double rt2 = rt*rt;
183  double rt3 = rt*rt2;
184  double egrho = exp(-Gamma*Rho*Rho);
185  double sum = s0 - R*log(Rho);
186  for (int i=0; i<14; i++) {
187  sum -= Cprime(i, rt, rt2, rt3)*I(i, egrho);
188  }
189 
190  // add \int c_{v,0}/T term
191  sum += Ghydro[0] * log(std::min(T, T1)/ To);
192  if (T > T1) {
193  double xlg = log(std::min(T, T2)/T1);
194  for (int i = 0; i < 12; i++) {
195  sum += Ghydro[i] / (i + 1) * pow(xlg, i+1);
196  }
197  }
198  if (T > T2) {
199  double xlg = log(T/T2);
200  for (int i = 0; i < 5; i++) {
201  sum += Ghydro[i+12] / (i + 1) * pow(xlg, i+1);
202  }
203  }
204  return sum + m_entropy_offset;
205 }
206 
207 double hydrogen::Pp()
208 {
209  double rt = 1.0/T;
210  double rt2 = rt*rt;
211  double egrho = exp(-Gamma*Rho*Rho);
212 
213  double P = Rho*R*T;
214  for (int i=0; i<14; i++) {
215  P += C(i, rt, rt2)*H(i, egrho);
216  }
217  return P;
218 }
219 
220 double hydrogen::ldens()
221 {
222  if ((T < Tmn) || (T > Tc)) {
223  throw CanteraError("hydrogen::ldens",
224  "Temperature out of range. T = {}", T);
225  }
226  double x=1-T/Tc;
227  double sum;
228  int i;
229  for (i=1, sum=0; i<=6; i++) {
230  sum+=Dhydro[i]*pow(x, 1+double(i-1)/3.0);
231  }
232  return sum+Roc+Dhydro[0]*pow(x,alpha1);
233 }
234 
235 double hydrogen::Psat()
236 {
237  double x = (1.0 - Tt/T)/(1.0 - Tt/Tc);
238  double result;
239  if ((T < Tmn) || (T > Tc)) {
240  throw CanteraError("hydrogen::Psat",
241  "Temperature out of range. T = {}", T);
242  }
243  result = Fhydro[0]*x + Fhydro[1]*x*x + Fhydro[2]*x*x*x +
244  Fhydro[3]*x*pow(1-x, alpha);
245  return exp(result)*Pt;
246 }
247 
248 double hydrogen::Tcrit()
249 {
250  return Tc;
251 }
252 double hydrogen::Pcrit()
253 {
254  return Pc;
255 }
256 double hydrogen::Vcrit()
257 {
258  return 1.0/Roc;
259 }
260 double hydrogen::Tmin()
261 {
262  return Tmn;
263 }
264 double hydrogen::Tmax()
265 {
266  return Tmx;
267 }
268 double hydrogen::MolWt()
269 {
270  return M;
271 }
272 
273 }
Base class for exceptions thrown by Cantera classes.
Definition: ctexceptions.h:66
Namespace for the Cantera kernel.
Definition: AnyMap.cpp:564
Contains declarations for string manipulation functions within Cantera.