int main(int argc, char** argv)
{
#ifdef _MSC_VER
_set_output_format(_TWO_DIGIT_EXPONENT);
#endif
#ifdef DEBUG_CHEMEQUIL
ChemEquil_print_lvl = 0;
#endif
try {
suppress_deprecation_warnings();
IdealGasPhase* gas = new IdealGasMix("air_below6000K.xml","air_below6000K");
vector_fp IndVar2(6, 0.0);
IndVar2[0] = 1.5E5;
IndVar2[1] = 3.0E5;
IndVar2[2] = 9.0E5;
IndVar2[3] = 2.7E6;
IndVar2[4] = 6.7E6;
IndVar2[5] = 1.0E7;
vector_fp IndVar1(7, 0.0);
IndVar1[0] = 1.0E-8;
IndVar1[1] = 1.0E-7;
IndVar1[2] = 1.0E-6;
IndVar1[3] = 1.0E-5;
IndVar1[4] = 1.0E-4;
IndVar1[5] = 1.0E-3;
IndVar1[6] = 1.0E-2;
int nj = 6;
int ni = 7;
FILE* FF = fopen("table.csv","w");
size_t kk = gas->nSpecies();
std::vector<double> Xmol(kk, 0.0);
const std::vector<string> &snames = gas->speciesNames();
fprintf(FF,"Temperature, Pressure,");
for (size_t k = 0; k < kk; k++) {
fprintf(FF, "%11s", snames[k].c_str());
if (k < kk-1) {
fprintf(FF,",");
}
}
fprintf(FF,"\n");
for (int j=0; j<nj; j++) {
for (int i=0; i<ni; i++) {
double offset = -301471.39;
gas->setState_UV(IndVar2[j]+offset,1.0/IndVar1[i]);
double tkelvin = gas->temperature();
double pres = gas->pressure();
printf("Initial T = %g, pres = %g atm\n", tkelvin, pres/OneAtm);
equilibrate(*gas,"UV", 0, 1e-12);
tkelvin = gas->temperature();
pres = gas->pressure();
printf("Final T = %g, pres = %g atm\n", tkelvin, pres/OneAtm);
cout << "enthalpy = " << gas->enthalpy_mass() << endl;
cout << "entropy = " << gas->entropy_mass() << endl;
cout << "Gibbs function = " << gas->gibbs_mass() << endl;
cout << "heat capacity c_p = " << gas->cp_mass() << endl;
cout << "heat capacity c_v = " << gas->cv_mass() << endl << endl;
gas->getMoleFractions(DATA_PTR(Xmol));
fprintf(FF,"%10.4g, %10.4g,", tkelvin, pres);
for (size_t k = 0; k < kk; k++) {
if (fabs(Xmol[k]) < 1.0E-130) {
fprintf(FF," %10.4g", 0.0);
} else {
fprintf(FF," %10.4g", Xmol[k]);
}
if (k < kk-1) {
fprintf(FF,",");
}
}
fprintf(FF,"\n");
}
}
delete gas;
fclose(FF);
}
catch (CanteraError& err) {
std::cout << err.what() << std::endl;
return -1;
}
return 0;
}
int main(int argc, char **argv) {
#ifdef DEBUG_CHEMEQUIL
ChemEquil_print_lvl = 0;
#endif
try {
IdealGasPhase* gas = new IdealGasMix("air_below6000K.xml","air_below6000K");
vector_fp IndVar2(6, 0.0);
IndVar2[0] = 1.5E5;
IndVar2[1] = 3.0E5;
IndVar2[2] = 9.0E5;
IndVar2[3] = 2.7E6;
IndVar2[4] = 6.7E6;
IndVar2[5] = 1.0E7;
vector_fp IndVar1(7, 0.0);
IndVar1[0] = 1.0E-8;
IndVar1[1] = 1.0E-7;
IndVar1[2] = 1.0E-6;
IndVar1[3] = 1.0E-5;
IndVar1[4] = 1.0E-4;
IndVar1[5] = 1.0E-3;
IndVar1[6] = 1.0E-2;
int nj = 6;
int ni = 7;
FILE *FF = fopen("table.csv","w");
int kk = gas->nSpecies();
std::vector<double> Xmol(kk, 0.0);
const std::vector<string> &snames = gas->speciesNames();
fprintf(FF,"Temperature, Pressure,");
for (int k = 0; k < kk; k++) {
fprintf(FF, "%11s", snames[k].c_str());
if (k < kk-1) {
fprintf(FF,",");
}
}
fprintf(FF,"\n");
for (int j=0; j<nj; j++) {
for (int i=0; i<ni; i++) {
double offset = -301471.39;
gas->setState_UV(IndVar2[j]+offset,1.0/IndVar1[i]);
double tkelvin = gas->temperature();
double pres = gas->pressure();
printf("Initial T = %g, pres = %g atm \n", tkelvin, pres/OneAtm);
beginLogGroup("topEquil", -1);
equilibrate(*gas,"UV", -1);
endLogGroup("topEquil");
cout << report(*gas) << endl;
tkelvin = gas->temperature();
pres = gas->pressure();
printf("Final T = %g, pres = %g atm\n", tkelvin, pres/OneAtm);
gas->getMoleFractions(DATA_PTR(Xmol));
fprintf(FF,"%10.4g, %10.4g,", tkelvin, pres);
for (int k = 0; k < kk; k++) {
if (fabs(Xmol[k]) < 1.0E-130) {
fprintf(FF," %10.4g", 0.0);
} else {
fprintf(FF," %10.4g", Xmol[k]);
}
if (k < kk-1) {
fprintf(FF,",");
}
}
fprintf(FF,"\n");
}
}
delete gas;
fclose(FF);
}
catch (CanteraError) {
showErrors();
}
return 0;
}