TEST_F(TransportFromScratch, binaryDiffCoeffs)
{
Transport* trRef = newTransportMgr("Mix", ref.get());
MixTransport trTest;
trTest.init(test.get());
size_t K = ref->nSpecies();
Array2D bdiffRef(3,3);
Array2D bdiffTest(3,3);
ref->setState_TPX(400, 5e5, "H2:0.5, O2:0.3, H2O:0.2");
test->setState_TPX(400, 5e5, "H2:0.5, O2:0.3, H2O:0.2");
trRef->getBinaryDiffCoeffs(K, &bdiffRef(0,0));
trTest.getBinaryDiffCoeffs(K, &bdiffTest(0,0));
for (size_t i=0; i < K; i++) {
for (size_t j=0; j < K; j++) {
EXPECT_DOUBLE_EQ(bdiffRef(i,j), bdiffTest(i,j)) << "i = " << i << ", j = " << j;
}
}
}
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("Mix", &g, log_level=0);
MixTransport* tranMix = dynamic_cast<MixTransport*>(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 %13.5g\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 %13.5g\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);
printf(" %15s %13.5g\n", sss.c_str(), thermDiff[k]);
}
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 %13.5g %13.5g\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 %13.5g %13.5g\n", sss.c_str(), Bdiff(0,k), Bdiff(k,0));
}
vector_fp specMob(nsp, 0.0);
tranMix->getMobilities(DATA_PTR(specMob));
printf(" Dump of the species mobilities:\n");
for (size_t k = 0; k < nsp; k++) {
string sss = g.speciesName(k);
printf(" %15s %13.5g\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);
printf(" %15s %13.5g %13.5g\n", sss.c_str(), fluxes(k,0), fluxes(k,1));
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 = %13.5g\n", sum1);
} else {
printf("sum in x direction = 0\n");
}
if (fabs(sum2) * 1.0E14 > max2) {
printf("sum in y direction = %13.5g\n", sum1);
} else {
printf("sum in y direction = 0\n");
}
} catch (CanteraError& err) {
std::cout << err.what() << std::endl;
return -1;
}
return 0;
}