C++ (Cpp) IdealGasPhase::getMoleFractions Examples

Example #1

File: ionizedGasEquil.cpp Project: anujg1991/cantera

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;
}

Example #2

File: ionizedGasEquil.cpp Project: hkmoffat/cantera

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;
}