245 lines
6.1 KiB
C++
245 lines
6.1 KiB
C++
//! @file Methane.cpp
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// This file is part of Cantera. See License.txt in the top-level directory or
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// at http://www.cantera.org/license.txt for license and copyright information.
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#include "Methane.h"
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#include "cantera/base/stringUtils.h"
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using namespace std;
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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 = 16.04996,
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Tmn = 90.68,
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Tmx = 1700.0,
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Tc = 190.555,
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Pc = 4.5988e6,
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Roc= 160.43,
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Tt = 90.68,
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Pt=11743.5675,
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R = 5.18253475866e2,
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Gamma=3.72992471469e-5,
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alpha = 1.5, //Used with Psat
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alpha1 = .36, //used with ldens;
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Rot=451.562,
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beta=2009.152,
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u0 = 357696.0858,
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s0 = -1918.035071;
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static const double Ameth[] = {
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-7.25929210183, 4.13766054566e2, -6.32167316855e3,
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3.34015577724e5, -1.68253379982e7, 1.87884851902e-2, -1.18673201223e1,
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2.09062618015e3, -4.07532656958e5, -5.73917603241e-5,4.37711441593e-2,
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-4.38766500673, 1.13524630779e-5, -5.07028240949e-5, 2.28002199522e-2,
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9.25611329590e-9, 1.33865662546e-10, -1.65439044196e-7, 1.81030980110e-10,
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5.45753645958e5, -3.63192281933e7, 4.81463473761, 1.56633022620e5,
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7.89977010972e-5, 1.39993881210e-2, -1.70656092212e-11, -4.55256623445e-5,
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-2.29314170748e-14,8.31548197665e-12, 6.84673626259e-20,
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-4.70845544152e-17, 5.21465091383e-16
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};
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static const double Dmeth[]=
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{ -1.78860165e-1, 4.83847500e-2, -1.84898700e-2 };
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static const double Fmeth[]=
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{ 4.77748580, 1.76065363, -5.67888940e-1, 1.32786231 };
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static const double Gmeth[]=
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{ 1.34740610e3, 1.35512060e2, -2.93910458e1, 2.12774600, 2.44656600e3 };
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double methane::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 Ameth[0] * T + Ameth[1] * sqrt(T) + Ameth[2] + (Ameth[3] + Ameth[4] * rt) * rt;
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case 1:
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return Ameth[5] * T + Ameth[6] + rt * (Ameth[7] + Ameth[8] * rt);
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case 2:
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return Ameth[9] * T + Ameth[10] + Ameth[11] * rt;
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case 3:
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return Ameth[12];
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case 4:
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return rt*(Ameth[13] + Ameth[14]*rt);
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case 5:
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return Ameth[15]*rt;
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case 6:
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return rt*(Ameth[16] + Ameth[17]*rt);
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case 7:
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return Ameth[18]*rt2;
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case 8:
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return rt2*(Ameth[19] + Ameth[20]*rt);
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case 9:
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return rt2*(Ameth[21] + Ameth[22]*rt2);
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case 10:
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return rt2*(Ameth[23] + Ameth[24]*rt);
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case 11:
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return rt2*(Ameth[25] + Ameth[26]*rt2);
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case 12:
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return rt2*(Ameth[27] + Ameth[28]*rt);
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case 13:
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return rt2*(Ameth[29] + Ameth[30]*rt + Ameth[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 methane::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 Ameth[0] + 0.5*Ameth[1]/sqrt(T) - (Ameth[3] + 2.0*Ameth[4]*rt)*rt2;
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case 1:
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return Ameth[5] - rt2*(Ameth[7] + 2.0*Ameth[8]*rt);
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case 2:
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return Ameth[9] - Ameth[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*(Ameth[13] + 2.0*Ameth[14]*rt);
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case 5:
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return -Ameth[15]*rt2;
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case 6:
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return -rt2*(Ameth[16] + 2.0*Ameth[17]*rt);
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case 7:
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return -2.0*Ameth[18]*rt3;
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case 8:
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return -rt3*(2.0*Ameth[19] + 3.0*Ameth[20]*rt);
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case 9:
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return -rt3*(2.0*Ameth[21] + 4.0*Ameth[22]*rt2);
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case 10:
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return -rt3*(2.0*Ameth[23] + 3.0*Ameth[24]*rt);
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case 11:
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return -rt3*(2.0*Ameth[25] + 4.0*Ameth[26]*rt2);
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case 12:
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return -rt3*(2.0*Ameth[27] + 3.0*Ameth[28]*rt);
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case 13:
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return -rt3*(2.0*Ameth[29] + 3.0*Ameth[30]*rt + 4.0*Ameth[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 methane::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 methane::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 methane::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 methane::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 t3 = pow(T,1.0/3.0);
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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 += T*(Gmeth[0] + 0.75*Gmeth[1]*t3 + 0.6*Gmeth[2]*t3*t3 + 0.5*Gmeth[3]*T)
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+ Gmeth[4]*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 methane::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 t3 = pow(T,1.0/3.0);
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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 += Gmeth[0]*log(T) + 3.0*Gmeth[1]*t3 + 1.5*Gmeth[2]*t3*t3 + Gmeth[3]*T
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+ Gmeth[4]*(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 methane::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 methane::Psat()
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{
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double x = (1.0 - Tt/T)/(1.0 - Tt/Tc);
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double result;
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if ((T < Tmn) || (T > Tc)) {
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throw CanteraError("methane::Psat",
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"Temperature out of range. T = {}", T);
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}
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result = Fmeth[0]*x + Fmeth[1]*x*x + Fmeth[2]*x*x*x +
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Fmeth[3]*x*pow(1-x, alpha);
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return exp(result)*Pt;
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}
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double methane::ldens()
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{
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double result;
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double sum;
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double w;
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if ((T < Tmn) || (T > Tc)) {
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throw CanteraError("methane::ldens",
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"Temperature out of range. T = {}", T);
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}
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w = (Tc - T)/(Tc - Tt);
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sum = Dmeth[0]*(1.0 - pow(w, 2.0/3.0)) + Dmeth[1]*(1.0 - pow(w, 4.0/3.0))
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+ Dmeth[2]*(1.0 - pow(w, 2));
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result = pow(w,alpha1)*exp(sum);
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result *= (Rot-Roc);
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result += Roc;
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return result;
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}
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double methane::Tcrit()
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{
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return Tc;
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}
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double methane::Pcrit()
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{
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return Pc;
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}
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double methane::Vcrit()
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{
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return 1.0/Roc;
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}
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double methane::Tmin()
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{
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return Tmn;
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}
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double methane::Tmax()
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{
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return Tmx;
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}
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double methane::MolWt()
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{
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return M;
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}
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}
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