Cantera  3.1.0a1
Water.cpp
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1 //! @file Water.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 "Water.h"
8 
9 using namespace Cantera;
10 
11 namespace tpx
12 {
13 static const double Tmn=273.16;
14 static const double Tmx=1600.0;
15 static const double M=18.016;
16 static const double Tc=647.286;
17 static const double Pc=22.089e6;
18 static const double Roc=317.0;
19 static const double To=273.16;
20 static const double R=461.51;
21 static const double E=4.8E-3;
22 static const double Ta=1000.0;
23 static const double tauc=1.544912;
24 static const double Tp=338.15;
25 static const double aww=0.01;
26 static const double Roa1=634.0;
27 static const double Roaj=1000.0;
28 static const double u0=2375470.875;
29 static const double s0=6697.356635;
30 
31 static const double A[10][7]= {{
32  2.9492937E-2,-5.1985860E-3,
33  6.8335354E-3,-1.5641040E-4,
34  -6.3972405E-3, -3.9661401E-3, -6.9048554E-4
35  },
36  {
37  -1.3213917E-4,7.7779182E-6, -2.6149751E-5,-7.2546108E-7,
38  2.6409282E-5, 1.5453061E-5,2.7407416E-6
39  },
40  {
41  2.7464632E-7,-3.3301902E-8,6.5326396E-8,-9.2734289E-9,
42  -4.7740374E-8,-2.9142470E-8,-5.1028070E-9
43  },
44  {
45  -3.6093828E-10, -1.6254622E-11, -2.6181978E-11, 4.3125840E-12,
46  5.6323130E-11, 2.9568796E-11,3.9636085E-12
47  },
48  {3.4218431E-13, -1.7731074E-13,0,0,0,0,0},
49  {-2.4450042E-16, 1.2748742E-16,0,0,0,0,0},
50  {1.5518535E-19, 1.3746153E-19,0,0,0,0,0},
51  {5.9728487E-24,1.5597836E-22, 0,0,0,0,0},
52  {
53  -4.1030848E-1, 3.3731180E-1, -1.3746678E-1, 6.7874983E-3,
54  1.3687317E-1, 7.984797E-2, 1.3041253E-2
55  },
56  {
57  -4.1605860E-4, -2.0988866E-4,-7.3396848E-4,1.0401717E-5,
58  6.4581880E-4, 3.9917570E-4, 7.1531353E-5
59  }
60 };
61 
62 static const double F[]= {-7.4192420, 2.9721E-1,-1.155286E-1,8.685635E-3,
63  1.0940980E-3, -4.39993E-3, 2.5206580E-3, -5.2186840E-4
64  };
65 
66 static const double D[]= {3.6711257,-2.8512396E1,2.2265240E2,-8.8243852E2,
67  2.0002765E3,-2.6122557E3,1.8297674E3,-5.3350520E2
68  };
69 
70 static const double G[]= {4.6E4,1.011249E3,8.3893E-1,-2.19989E-4,2.466619E-7,
71  -9.704700E-11
72  };
73 
74 static const double taua[] = {1.544912, 2.5, 2.5, 2.5, 2.5, 2.5, 2.5};
75 
76 double water::C(int i)
77 {
78  double tau = Ta/T;
79  return (i == 0 ? R*T : R*T*(tau - tauc)*pow(tau - taua[i],i-1));
80 }
81 
82 double water::Cprime(int i)
83 {
84  double tau = Ta/T;
85  return (i == 0 ? R : (i == 1 ? -R*tauc :
86  -R*pow(tau - taua[i],i-2)*(tauc*(tau - taua[i])
87  + (i-1)*tau*(tau - tauc))));
88 }
89 
90 double water::I(int j)
91 {
92  double factor, sum, rho_aj;
93  rho_aj = (j == 0 ? Roa1 : Roaj);
94  sum = 0.0;
95  factor = Rho - rho_aj;
96  for (int i=7; i>0; i--) {
97  sum += A[i][j];
98  sum *= factor;
99  }
100  sum += A[0][j];
101  sum += (exp(-E*Rho)*(A[8][j] + A[9][j]*Rho));
102  return Rho*sum;
103 }
104 
105 double water::H(int j)
106 {
107  double factor, sum, rho_aj;
108  rho_aj = (j == 0 ? Roa1 : Roaj);
109  sum = 0.0;
110  factor = Rho - rho_aj;
111  for (int i=6; i>0; i--) {
112  sum += (A[i][j] + Rho*(i+1)*A[i+1][j]);
113  sum *= factor;
114  }
115  sum += (A[0][j] + Rho*A[1][j]);
116  sum += (exp(-E*Rho)*((1.0 - Rho*E)*A[8][j]
117  + Rho*(2.0 - Rho*E)*A[9][j]));
118  sum += A[7][j]*pow(factor,7);
119  return Rho*Rho*sum;
120 }
121 
122 double water::up()
123 {
124  double sum = 0.0;
125  int i;
126  for (i=0; i<7; i++) {
127  sum += (C(i) - T*Cprime(i))*I(i);
128  }
129  for (i=1; i<6; i++) {
130  sum += G[i]*(pow(T,i) - pow(To,i))/double(i);
131  }
132  sum += G[0]*log(T/To) + u0;
133  return sum + m_energy_offset;
134 }
135 
136 double water::sp()
137 {
138  double sum = 0.0;
139  int i;
140  for (i=2; i<6; i++) {
141  sum += G[i]*(pow(T,i-1) - pow(To,i-1))/double(i-1);
142  }
143  sum += G[1]*log(T/To);
144  sum -= G[0]*(1.0/T - 1.0/To);
145  sum += s0 - R*log(Rho);
146  for (i=0; i<7; i++) {
147  sum -= Cprime(i)*I(i);
148  }
149  return sum + m_entropy_offset;
150 }
151 
152 double water::Pp()
153 {
154  double P = Rho*R*T;
155  for (int i=0; i<7; i++) {
156  P += C(i)*H(i);
157  }
158  return P;
159 }
160 
161 double water::Psat()
162 {
163  double log, sum=0;
164  if ((T < Tmn) || (T > Tc)) {
165  throw CanteraError("water::Psat",
166  "Temperature out of range. T = {}", T);
167  }
168  for (int i=1; i<=8; i++) {
169  sum += F[i-1]*pow(aww*(T-Tp),double(i-1)); // DGG mod
170  }
171  log = (Tc/T-1)*sum;
172  return exp(log)*Pc;
173 }
174 
175 double water::ldens()
176 {
177  double sum=0;
178  int i;
179  if ((T < Tmn) || (T > Tc)) {
180  throw CanteraError("water::ldens",
181  "Temperature out of range. T = {}", T);
182  }
183  for (i=0; i<8; i++) {
184  sum+=D[i]*pow(1.0 - T/Tc, double(i+1)/3.0);
185  }
186  return Roc*(1+sum);
187 }
188 
189 double water::Tcrit()
190 {
191  return Tc;
192 }
193 double water::Pcrit()
194 {
195  return Pc;
196 }
197 double water::Vcrit()
198 {
199  return 1.0/Roc;
200 }
201 double water::Tmin()
202 {
203  return Tmn;
204 }
205 double water::Tmax()
206 {
207  return Tmx;
208 }
209 double water::MolWt()
210 {
211  return M;
212 }
213 
214 }
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.