int transport_example2(int job)
{
try {
cout << "Multicomponent transport properties." << endl;
if (job > 0) {
cout << "Viscosity, thermal conductivity, and thermal diffusion\n"
" coefficients at 2 atm for a "
<< "range of temperatures" << endl;
}
if (job <= 1) {
return 0;
}
// create a gas mixture, and set its state
IdealGasMix gas("gri30.cti", "gri30");
doublereal temp = 2000.0;
doublereal pres = 2.0*OneAtm;
gas.setState_TPX(temp, pres, "H2:1.0, O2:0.5, CH4:0.1, N2:0.2");
equilibrate(gas,"TP");
// create a transport manager that implements
// multicomponent transport properties
Transport* tr = newTransportMgr("Multi", &gas);
size_t nsp = gas.nSpecies();
// create a 2D array to hold the outputs
int ntemps = 20;
Array2D output(nsp+3, ntemps);
// main loop
for (int i = 0; i < ntemps; i++) {
temp = 500.0 + 100.0*i;
gas.setState_TP(temp, pres);
output(0,i) = temp;
output(1,i) = tr->viscosity();
output(2,i) = tr->thermalConductivity();
tr->getThermalDiffCoeffs(&output(3,i));
}
// make a Tecplot data file and an Excel spreadsheet
std::string plotTitle = "transport example 2: "
"multicomponent transport properties";
plotTransportSoln("tr2.dat", "TEC", plotTitle, gas, output);
plotTransportSoln("tr2.csv", "XL", plotTitle, gas, output);
// print final temperature
cout << "Output files:" << endl
<< " tr2.csv (Excel CSV file)" << endl
<< " tr2.dat (Tecplot data file)" << endl;
} catch (CanteraError& err) {
// handle exceptions thrown by Cantera
std::cout << err.what() << std::endl;
cout << " terminating... " << endl;
appdelete();
return -1;
}
return 0;
}
TEST_F(TransportFromScratch, thermalConductivityMulti)
{
Transport* trRef = newTransportMgr("Multi", ref.get());
MultiTransport trTest;
trTest.init(test.get());
for (int i = 0; i < 10; i++) {
double T = 300 + 111*i;
ref->setState_TPX(T, 5e5, "H2:0.5, O2:0.3, H2O:0.2");
test->setState_TPX(T, 5e5, "H2:0.5, O2:0.3, H2O:0.2");
EXPECT_DOUBLE_EQ(trRef->thermalConductivity(),
trTest.thermalConductivity()) << "T = " << T;
}
}
int transport_example1(int job) {
try {
cout << "Mixture-averaged transport properties." << endl;
if (job > 0) {
cout << "Viscosity, thermal conductivity, and mixture-averaged\n"
<< "diffusion coefficients at 2 atm for a "
<< "range of temperatures" << endl;
}
if (job <= 1) return 0;
// header
writeCanteraHeader(cout);
// create a gas mixture, and set its state
IdealGasMix gas("gri30.cti", "gri30");
doublereal temp = 500.0;
doublereal pres = 2.0*OneAtm;
gas.setState_TPX(temp, pres, "H2:1.0, CH4:0.1");
// create a transport manager that implements
// mixture-averaged transport properties
Transport* tr = newTransportMgr("Mix", &gas);
int nsp = gas.nSpecies();
// create a 2D array to hold the outputs
int ntemps = 20;
Array2D output(nsp+3, ntemps);
// main loop
clock_t t0 = clock();
for (int i = 0; i < ntemps; i++) {
temp = 500.0 + 100.0*i;
gas.setState_TP(temp, pres);
output(0,i) = temp;
output(1,i) = tr->viscosity();
output(2,i) = tr->thermalConductivity();
tr->getMixDiffCoeffs(&output(3,i));
}
clock_t t1 = clock();
// make a Tecplot data file and an Excel spreadsheet
string plotTitle = "transport example 1: "
"mixture-averaged transport properties";
plotTransportSoln("tr1.dat", "TEC", plotTitle, gas, output);
plotTransportSoln("tr1.csv", "XL", plotTitle, gas, output);
// print final temperature and timing data
doublereal tmm = 1.0*(t1 - t0)/CLOCKS_PER_SEC;
cout << " time = " << tmm << endl << endl;
cout << "Output files:" << endl
<< " tr1.csv (Excel CSV file)" << endl
<< " tr1.dat (Tecplot data file)" << endl;
return 0;
}
// handle exceptions thrown by Cantera
catch (CanteraError) {
showErrors(cout);
cout << " terminating... " << endl;
appdelete();
return -1;
}
}
int main(int argc, char** argv)
{
#ifdef _MSC_VER
_set_output_format(_TWO_DIGIT_EXPONENT);
#endif
string infile = "diamond.xml";
try {
IdealGasMix g("gri30.xml", "gri30_mix");
size_t nsp = g.nSpecies();
double pres = 1.0E5;
vector_fp Xset(nsp, 0.0);
Xset[0] = 0.269205 ;
Xset[1] = 0.000107082;
Xset[2] = 1.36377e-09 ;
Xset[3] = 4.35475e-10;
Xset[4] = 4.34036e-06 ;
Xset[5] = 0.192249;
Xset[6] = 3.59356e-13;
Xset[7] = 2.78061e-12 ;
Xset[8] = 4.7406e-18 ;
Xset[9] = 4.12955e-17 ;
Xset[10] = 2.58549e-14 ;
Xset[11] = 8.96502e-16 ;
Xset[12] = 6.09056e-11 ;
Xset[13] = 7.56752e-09 ;
Xset[14] = 0.192253;
Xset[15] = 0.0385036;
Xset[16] = 1.49596e-08 ;
Xset[17] = 2.22378e-08 ;
Xset[18] = 1.43096e-13 ;
Xset[19] = 1.45312e-15 ;
Xset[20] = 1.96948e-12 ;
Xset[21] = 8.41937e-19;
Xset[22] = 3.18852e-13 ;
Xset[23] = 7.93625e-18 ;
Xset[24] = 3.20653e-15 ;
Xset[25] = 1.15149e-19 ;
Xset[26] = 1.61189e-18 ;
Xset[27] = 1.4719e-15 ;
Xset[28] = 5.24728e-13 ;
Xset[29] = 6.90582e-17 ;
Xset[30] = 6.37248e-12 ;
Xset[31] = 5.93728e-11 ;
Xset[32] = 2.71219e-09 ;
Xset[33] = 2.66645e-06 ;
Xset[34] = 6.57142e-11 ;
Xset[35] = 9.52453e-08 ;
Xset[36] = 1.26006e-14;
Xset[37] = 3.49802e-12;
Xset[38] = 1.19232e-11 ;
Xset[39] = 7.17782e-13;
Xset[40] = 1.85347e-07 ;
Xset[41] = 8.25325e-14 ;
Xset[42] = 5.00914e-20 ;
Xset[43] = 1.54407e-16 ;
Xset[44] =3.07176e-11 ;
Xset[45] =4.93198e-08 ;
Xset[46] =4.84792e-12 ;
Xset[47] = 0.307675 ;
Xset[48] =0;
Xset[49] =6.21649e-29;
Xset[50] = 8.42393e-28 ;
Xset[51] = 6.77865e-18;
Xset[52] = 2.19225e-16;
double T1 = 1500.;
double sum = 0.0;
for (size_t k = 0; k < nsp; k++) {
sum += Xset[k];
}
for (size_t k = 0; k < nsp; k++) {
Xset[k] /= sum;
}
vector_fp X2set(nsp, 0.0);
X2set[0] = 0.25 ;
X2set[5] = 0.17;
X2set[14] = 0.15;
X2set[15] = 0.05;
X2set[47] = 0.38 ;
double T2 = 1200.;
double dist = 0.1;
vector_fp X3set(nsp, 0.0);
X3set[0] = 0.27 ;
X3set[5] = 0.15;
X3set[14] = 0.18;
X3set[15] = 0.06;
X3set[47] = 0.36 ;
double T3 = 1400.;
vector_fp grad_T(3, 0.0);
Array2D grad_X(nsp, 2, 0.0);
for (size_t k = 0; k < nsp; k++) {
grad_X(k,0) = (X2set[k] - Xset[k])/dist;
grad_X(k,1) = (X3set[k] - Xset[k])/dist;
}
grad_T[0] = (T2 - T1) / dist;
grad_T[1] = (T3 - T1) / dist;
int log_level = 0;
Transport* tran = newTransportMgr("Multi", &g, log_level=0);
MultiTransport* tranMix = dynamic_cast<MultiTransport*>(tran);
g.setState_TPX(1500.0, pres, DATA_PTR(Xset));
vector_fp mixDiffs(nsp, 0.0);
tranMix->getMixDiffCoeffs(DATA_PTR(mixDiffs));
printf(" Dump of the mixture Diffusivities:\n");
for (size_t k = 0; k < nsp; k++) {
string sss = g.speciesName(k);
printf(" %15s %13.2g\n", sss.c_str(), mixDiffs[k]);
}
vector_fp specVisc(nsp, 0.0);
tranMix->getSpeciesViscosities(DATA_PTR(specVisc));
printf(" Dump of the species viscosities:\n");
for (size_t k = 0; k < nsp; k++) {
string sss = g.speciesName(k);
printf(" %15s %13.4g\n", sss.c_str(), specVisc[k]);
}
vector_fp thermDiff(nsp, 0.0);
tranMix->getThermalDiffCoeffs(DATA_PTR(thermDiff));
printf(" Dump of the Thermal Diffusivities :\n");
for (size_t k = 0; k < nsp; k++) {
string sss = g.speciesName(k);
double ddd = cutoff(thermDiff[k]);
printf(" %15s %13.4g\n", sss.c_str(), ddd);
}
printf("Viscosity and thermal Cond vs. T\n");
for (size_t k = 0; k < 10; k++) {
T1 = 400. + 100. * k;
g.setState_TPX(T1, pres, DATA_PTR(Xset));
double visc = tran->viscosity();
double cond = tran->thermalConductivity();
printf(" %13g %13.4g %13.4g\n", T1, visc, cond);
}
g.setState_TPX(T1, pres, DATA_PTR(Xset));
Array2D Bdiff(nsp, nsp, 0.0);
printf("Binary Diffusion Coefficients H2 vs species\n");
tranMix->getBinaryDiffCoeffs(nsp, Bdiff.ptrColumn(0));
for (size_t k = 0; k < nsp; k++) {
string sss = g.speciesName(k);
printf(" H2 - %15s %13.4g %13.4g\n", sss.c_str(), Bdiff(0,k), Bdiff(k,0));
}
vector_fp specMob(nsp, 0.0);
printf(" Dump of the species mobilities:\n");
for (size_t k = 0; k < nsp; k++) {
string sss = g.speciesName(k);
printf(" %15s %13.4g\n", sss.c_str(), specMob[k]);
}
Array2D fluxes(nsp, 2, 0.0);
tranMix->getSpeciesFluxes(2, DATA_PTR(grad_T), nsp,
grad_X.ptrColumn(0), nsp, fluxes.ptrColumn(0));
printf(" Dump of the species fluxes:\n");
double sum1 = 0.0;
double sum2 = 0.0;
double max1 = 0.0;
double max2 = 0.0;
for (size_t k = 0; k < nsp; k++) {
string sss = g.speciesName(k);
double ddd = cutoff(fluxes(k,0));
double eee = cutoff(fluxes(k,1));
printf(" %15s %13.4g %13.4g\n", sss.c_str(), ddd, eee);
sum1 += fluxes(k,0);
if (fabs(fluxes(k,0)) > max1) {
max1 = fabs(fluxes(k,0));
}
sum2 += fluxes(k,1);
if (fabs(fluxes(k,1)) > max2) {
max2 = fabs(fluxes(k,0));
}
}
// Make sure roundoff error doesn't interfere with the printout.
// these should be zero.
if (fabs(sum1) * 1.0E14 > max1) {
printf("sum in x direction = %13.4g\n", sum1);
} else {
printf("sum in x direction = 0\n");
}
if (fabs(sum2) * 1.0E14 > max2) {
printf("sum in y direction = %13.4g\n", sum1);
} else {
printf("sum in y direction = 0\n");
}
Array2D MDdiff(nsp, nsp, 0.0);
printf("Multicomponent Diffusion Coefficients H2 vs species\n");
tranMix->getMultiDiffCoeffs(nsp, MDdiff.ptrColumn(0));
for (size_t k = 0; k < nsp; k++) {
string sss = g.speciesName(k);
printf(" H2 - %15s %13.4g %13.4g\n", sss.c_str(), MDdiff(0,k), MDdiff(k,0));
}
} catch (CanteraError& err) {
std::cout << err.what() << std::endl;
return -1;
}
return 0;
}
