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