245 lines
6.1 KiB
C++
245 lines
6.1 KiB
C++
//! @file Oxygen.cpp
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#include "Oxygen.h"
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#include "cantera/base/stringUtils.h"
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using namespace Cantera;
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namespace tpx
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{
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static const double
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M = 31.9994,
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Tmn = 54.34,
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Tmx = 2000.0,
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Tc = 154.581,
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Pc = 5.0429e6,
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Roc = 436.15,
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R = 2.59820853437877e2,
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Gamma = 5.46895508389297e-6,
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alpha = 1.91576,
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beta = 2239.18105,
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u0 = 198884.2435,
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s0 = 668.542976;
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static const double Aoxy[] = {
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-4.26396872798684e-1, 3.48334938784107e1, -5.77516910418738e2,
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2.40961751553325e4, -1.23332307855543e6, 3.73585286319658e-4,
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-1.70178244046465e-1 ,-3.33226903068473e-4, 8.61334799901291e3,
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-6.80394661057309e-7, 7.09583347162704e-4, -5.73905688255053e-2,
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-1.92123080811409e-7, 3.11764722329504e-8, -8.09463854745591e-6,
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-2.22562296356501e-11, 9.18401045361994e-15, 5.75758417511114e-12,
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-2.10752269644774e-15, 3.62884761272184e3, -1.23317754317110e6,
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-5.03800414800672e-2, 3.30686173177055e2, -5.26259633964252e-8 ,
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5.53075442383100e-6, -2.71042853363688e-13, -1.65732450675251e-9 ,
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-5.82711196409204e-20, 4.42953322148281e-17 ,-2.95529679136244e-25,
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-1.92361786708846e-23, 9.43758410350413e-23
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};
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static const double Foxy[] = {
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-5.581932039e2, -1.0966262185e2, -8.3456211630e-2,
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2.6603644330e-3, 1.6875023830e-5, -2.1262477120e-7,
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9.5741096780e-10, -1.6617640450e-12, 2.7545605710e1
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};
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static const double Doxy[] =
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{ 4.3615175e2, 7.5897189e2, -4.2576866e2, 2.3487106e3, -3.0474660e3, 1.4850169e3 };
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static const double Goxy[] = {
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-1.29442711174062e6, 5.98231747005341e4, -8.97850772730944e2,
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6.55236176900400e2, -1.13131252131570e-2,
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3.4981070244228e-6, 4.21065222886885e-9, 2.67997030050139e2
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};
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double oxygen::C(int i, double rt, double rt2)
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{
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switch (i) {
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case 0:
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return Aoxy[0] * T + Aoxy[1] * sqrt(T) + Aoxy[2] + (Aoxy[3] + Aoxy[4] * rt) * rt;
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case 1:
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return Aoxy[5] * T + Aoxy[6] + rt * (Aoxy[7] + Aoxy[8] * rt);
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case 2:
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return Aoxy[9] * T + Aoxy[10] + Aoxy[11] * rt;
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case 3:
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return Aoxy[12];
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case 4:
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return rt*(Aoxy[13] + Aoxy[14]*rt);
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case 5:
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return Aoxy[15]*rt;
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case 6:
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return rt*(Aoxy[16] + Aoxy[17]*rt);
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case 7:
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return Aoxy[18]*rt2;
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case 8:
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return rt2*(Aoxy[19] + Aoxy[20]*rt);
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case 9:
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return rt2*(Aoxy[21] + Aoxy[22]*rt2);
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case 10:
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return rt2*(Aoxy[23] + Aoxy[24]*rt);
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case 11:
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return rt2*(Aoxy[25] + Aoxy[26]*rt2);
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case 12:
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return rt2*(Aoxy[27] + Aoxy[28]*rt);
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case 13:
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return rt2*(Aoxy[29] + Aoxy[30]*rt + Aoxy[31]*rt2);
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default:
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return 0.0;
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}
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}
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double oxygen::Cprime(int i, double rt, double rt2, double rt3)
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{
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switch (i) {
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case 0:
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return Aoxy[0] + 0.5*Aoxy[1]/sqrt(T) - (Aoxy[3] + 2.0*Aoxy[4]*rt)*rt2;
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case 1:
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return Aoxy[5] - rt2*(Aoxy[7] + 2.0*Aoxy[8]*rt);
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case 2:
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return Aoxy[9] - Aoxy[11]*rt2;
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case 3:
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return 0.0;
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case 4:
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return -rt2*(Aoxy[13] + 2.0*Aoxy[14]*rt);
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case 5:
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return -Aoxy[15]*rt2;
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case 6:
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return -rt2*(Aoxy[16] + 2.0*Aoxy[17]*rt);
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case 7:
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return -2.0*Aoxy[18]*rt3;
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case 8:
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return -rt3*(2.0*Aoxy[19] + 3.0*Aoxy[20]*rt);
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case 9:
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return -rt3*(2.0*Aoxy[21] + 4.0*Aoxy[22]*rt2);
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case 10:
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return -rt3*(2.0*Aoxy[23] + 3.0*Aoxy[24]*rt);
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case 11:
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return -rt3*(2.0*Aoxy[25] + 4.0*Aoxy[26]*rt2);
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case 12:
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return -rt3*(2.0*Aoxy[27] + 3.0*Aoxy[28]*rt);
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case 13:
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return -rt3*(2.0*Aoxy[29] + 3.0*Aoxy[30]*rt + 4.0*Aoxy[31]*rt2);
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default:
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return 0.0;
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}
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}
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double oxygen::W(int n, double egrho)
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{
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return (n == 0 ? (1.0 - egrho)/(2.0*Gamma) :
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(n*W(n-1, egrho) - 0.5*pow(Rho,2*n)*egrho)/Gamma);
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}
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double oxygen::H(int i, double egrho)
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{
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return (i < 8 ? pow(Rho,i+2) : pow(Rho,2*i-13)*egrho);
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}
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double oxygen::I(int i, double egrho)
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{
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return (i < 8 ? pow(Rho,i+1)/double(i+1) : W(i-8, egrho));
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}
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double oxygen::up()
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{
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double rt = 1.0/T;
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double rt2 = rt*rt;
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double rt3 = rt*rt2;
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double egrho = exp(-Gamma*Rho*Rho);
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double sum = 0.0;
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for (int i=0; i<14; i++) {
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sum += (C(i,rt,rt2) - T*Cprime(i,rt,rt2,rt3))*I(i,egrho);
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}
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sum += (((0.25*Goxy[6]*T + Goxy[5]/3.0)*T + 0.5*Goxy[4])*T + Goxy[3])*T + Goxy[2]*log(T)
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- (Goxy[1] + 0.5*Goxy[0]*rt)*rt + Goxy[7]*beta/(exp(beta*rt) - 1.0) + u0;
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return sum + m_energy_offset;
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}
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double oxygen::sp()
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{
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double rt = 1.0/T;
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double rt2 = rt*rt;
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double rt3 = rt*rt2;
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double egrho = exp(-Gamma*Rho*Rho);
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double sum = 0.0;
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sum = s0 - R*log(Rho);
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for (int i=0; i<14; i++) {
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sum -= Cprime(i,rt,rt2,rt3)*I(i,egrho);
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}
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sum += (((Goxy[6]/3.0)*T + 0.5*Goxy[5])*T + Goxy[4])*T + Goxy[3]*log(T)
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-((Goxy[0]*rt/3.0 + 0.5*Goxy[1])*rt + Goxy[2])*rt
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+ Goxy[7]*(beta*rt + beta*rt/(exp(beta*rt) - 1.0)
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- log(exp(beta*rt) - 1.0));
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return sum + m_entropy_offset;
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}
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double oxygen::Pp()
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{
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double rt = 1.0/T;
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double rt2 = rt*rt;
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double egrho = exp(-Gamma*Rho*Rho);
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double P = Rho*R*T;
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for (int i=0; i<14; i++) {
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P += C(i,rt,rt2)*H(i,egrho);
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}
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return P;
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}
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double oxygen::Psat()
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{
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double lnp;
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int i;
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if ((T < Tmn) || (T > Tc)) {
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throw TPX_Error("oxygen::Psat",
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"Temperature out of range. T = " + fp2str(T));
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}
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for (i=0, lnp=0; i<=7; i++) {
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if (i==3) {
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lnp+=Foxy[i]*pow(Tc-T, alpha);
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} else {
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lnp+=Foxy[i]*pow(T,i-1);
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}
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}
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lnp+=Foxy[8]*log(T);
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return exp(lnp);
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}
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double oxygen::ldens()
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{
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double xx=1-T/Tc, sum=0;
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if ((T < Tmn) || (T > Tc)) {
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throw TPX_Error("oxygen::ldens",
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"Temperature out of range. T = " + fp2str(T));
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}
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for (int i=0; i<=5; i++) {
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sum+=Doxy[i]*pow(xx,double(i)/3.0);
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}
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return sum;
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}
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double oxygen::Tcrit()
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{
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return Tc;
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}
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double oxygen::Pcrit()
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{
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return Pc;
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}
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double oxygen::Vcrit()
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{
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return 1.0/Roc;
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}
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double oxygen::Tmin()
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{
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return Tmn;
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}
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double oxygen::Tmax()
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{
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return Tmx;
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}
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double oxygen::MolWt()
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{
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return M;
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}
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}
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