282 lines
7.9 KiB
C++
282 lines
7.9 KiB
C++
/**
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* @file multiGasTransport.cpp
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* test problem for multi transport
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*/
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// Example
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//
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// Test case for mixture transport in a gas
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// The basic idea is to set up a gradient of some kind.
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// Then the resulting transport coefficients out.
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// Essentially all of the interface routines should be
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// exercised and the results dumped out.
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//
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// A blessed solution test will make sure that the actual
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// solution doesn't change as a function of time or
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// further development.
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// perhaps, later, an analytical solution could be added
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#include "cantera/transport.h"
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#include "cantera/IdealGasMix.h"
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#include "cantera/transport/TransportFactory.h"
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#include <iostream>
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#include <string>
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#include <vector>
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#include <string>
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#include <iomanip>
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using namespace std;
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using namespace Cantera;
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#define MAX(x,y) (( (x) > (y) ) ? (x) : (y))
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void printDbl(double val)
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{
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if (fabs(val) < 1.0E-17) {
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cout << " nil";
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} else {
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cout << val;
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}
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}
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static double cutoff(double val, double atol=1.0E-15)
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{
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if (fabs(val) < atol) {
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return 0.0;
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}
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return val;
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}
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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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int k;
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string infile = "diamond.xml";
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try {
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IdealGasMix g("gri30.xml", "gri30_mix");
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int nsp = g.nSpecies();
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double pres = 1.0E5;
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vector_fp Xset(nsp, 0.0);
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Xset[0] = 0.269205 ;
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Xset[1] = 0.000107082;
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Xset[2] = 1.36377e-09 ;
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Xset[3] = 4.35475e-10;
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Xset[4] = 4.34036e-06 ;
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Xset[5] = 0.192249;
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Xset[6] = 3.59356e-13;
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Xset[7] = 2.78061e-12 ;
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Xset[8] = 4.7406e-18 ;
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Xset[9] = 4.12955e-17 ;
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Xset[10] = 2.58549e-14 ;
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Xset[11] = 8.96502e-16 ;
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Xset[12] = 6.09056e-11 ;
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Xset[13] = 7.56752e-09 ;
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Xset[14] = 0.192253;
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Xset[15] = 0.0385036;
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Xset[16] = 1.49596e-08 ;
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Xset[17] = 2.22378e-08 ;
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Xset[18] = 1.43096e-13 ;
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Xset[19] = 1.45312e-15 ;
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Xset[20] = 1.96948e-12 ;
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Xset[21] = 8.41937e-19;
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Xset[22] = 3.18852e-13 ;
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Xset[23] = 7.93625e-18 ;
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Xset[24] = 3.20653e-15 ;
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Xset[25] = 1.15149e-19 ;
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Xset[26] = 1.61189e-18 ;
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Xset[27] = 1.4719e-15 ;
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Xset[28] = 5.24728e-13 ;
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Xset[29] = 6.90582e-17 ;
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Xset[30] = 6.37248e-12 ;
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Xset[31] = 5.93728e-11 ;
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Xset[32] = 2.71219e-09 ;
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Xset[33] = 2.66645e-06 ;
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Xset[34] = 6.57142e-11 ;
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Xset[35] = 9.52453e-08 ;
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Xset[36] = 1.26006e-14;
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Xset[37] = 3.49802e-12;
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Xset[38] = 1.19232e-11 ;
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Xset[39] = 7.17782e-13;
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Xset[40] = 1.85347e-07 ;
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Xset[41] = 8.25325e-14 ;
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Xset[42] = 5.00914e-20 ;
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Xset[43] = 1.54407e-16 ;
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Xset[44] =3.07176e-11 ;
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Xset[45] =4.93198e-08 ;
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Xset[46] =4.84792e-12 ;
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Xset[47] = 0.307675 ;
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Xset[48] =0;
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Xset[49] =6.21649e-29;
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Xset[50] = 8.42393e-28 ;
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Xset[51] = 6.77865e-18;
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Xset[52] = 2.19225e-16;
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double T1 = 1500.;
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double sum = 0.0;
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for (k = 0; k < nsp; k++) {
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sum += Xset[k];
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}
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for (k = 0; k < nsp; k++) {
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Xset[k] /= sum;
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}
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vector_fp X2set(nsp, 0.0);
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X2set[0] = 0.25 ;
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X2set[5] = 0.17;
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X2set[14] = 0.15;
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X2set[15] = 0.05;
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X2set[47] = 0.38 ;
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double T2 = 1200.;
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double dist = 0.1;
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vector_fp X3set(nsp, 0.0);
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X3set[0] = 0.27 ;
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X3set[5] = 0.15;
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X3set[14] = 0.18;
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X3set[15] = 0.06;
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X3set[47] = 0.36 ;
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double T3 = 1400.;
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vector_fp grad_T(3, 0.0);
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Array2D grad_X(nsp, 2, 0.0);
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for (k = 0; k < nsp; k++) {
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grad_X(k,0) = (X2set[k] - Xset[k])/dist;
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grad_X(k,1) = (X3set[k] - Xset[k])/dist;
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}
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grad_T[0] = (T2 - T1) / dist;
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grad_T[1] = (T3 - T1) / dist;
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int log_level = 0;
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Transport* tran = newTransportMgr("Multi", &g, log_level=0);
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MultiTransport* tranMix = dynamic_cast<MultiTransport*>(tran);
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g.setState_TPX(1500.0, pres, DATA_PTR(Xset));
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vector_fp mixDiffs(nsp, 0.0);
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tranMix->getMixDiffCoeffs(DATA_PTR(mixDiffs));
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printf(" Dump of the mixture Diffusivities:\n");
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for (k = 0; k < nsp; k++) {
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string sss = g.speciesName(k);
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printf(" %15s %13.5g\n", sss.c_str(), mixDiffs[k]);
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}
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vector_fp specVisc(nsp, 0.0);
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tranMix->getSpeciesViscosities(DATA_PTR(specVisc));
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printf(" Dump of the species viscosities:\n");
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for (k = 0; k < nsp; k++) {
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string sss = g.speciesName(k);
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printf(" %15s %13.5g\n", sss.c_str(), specVisc[k]);
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}
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vector_fp thermDiff(nsp, 0.0);
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tranMix->getThermalDiffCoeffs(DATA_PTR(thermDiff));
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printf(" Dump of the Thermal Diffusivities :\n");
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for (k = 0; k < nsp; k++) {
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string sss = g.speciesName(k);
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double ddd = cutoff(thermDiff[k]);
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printf(" %15s %13.5g\n", sss.c_str(), ddd);
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}
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printf("Viscoscity and thermal Cond vs. T\n");
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for (k = 0; k < 10; k++) {
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T1 = 400. + 100. * k;
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g.setState_TPX(T1, pres, DATA_PTR(Xset));
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double visc = tran->viscosity();
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double cond = tran->thermalConductivity();
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printf(" %13g %13.5g %13.5g\n", T1, visc, cond);
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}
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g.setState_TPX(T1, pres, DATA_PTR(Xset));
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Array2D Bdiff(nsp, nsp, 0.0);
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printf("Binary Diffusion Coefficients H2 vs species\n");
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tranMix->getBinaryDiffCoeffs(nsp, Bdiff.ptrColumn(0));
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for (k = 0; k < nsp; k++) {
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string sss = g.speciesName(k);
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printf(" H2 - %15s %13.5g %13.5g\n", sss.c_str(), Bdiff(0,k), Bdiff(k,0));
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}
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vector_fp specMob(nsp, 0.0);
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//tranMix->getMobilities(DATA_PTR(specMob));
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printf(" Dump of the species mobilities:\n");
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for (k = 0; k < nsp; k++) {
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string sss = g.speciesName(k);
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printf(" %15s %13.5g\n", sss.c_str(), specMob[k]);
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}
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Array2D fluxes(nsp, 2, 0.0);
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tranMix->getSpeciesFluxes(2, DATA_PTR(grad_T), nsp,
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grad_X.ptrColumn(0), nsp, fluxes.ptrColumn(0));
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printf(" Dump of the species fluxes:\n");
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double sum1 = 0.0;
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double sum2 = 0.0;
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double max1 = 0.0;
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double max2 = 0.0;
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for (k = 0; k < nsp; k++) {
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string sss = g.speciesName(k);
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double ddd = cutoff(fluxes(k,0));
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double eee = cutoff(fluxes(k,1));
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printf(" %15s %13.4g %13.4g\n", sss.c_str(), ddd, eee);
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sum1 += fluxes(k,0);
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if (fabs(fluxes(k,0)) > max1) {
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max1 = fabs(fluxes(k,0));
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}
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sum2 += fluxes(k,1);
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if (fabs(fluxes(k,1)) > max2) {
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max2 = fabs(fluxes(k,0));
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}
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}
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// Make sure roundoff error doesn't interfere with the printout.
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// these should be zero.
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if (fabs(sum1) * 1.0E14 > max1) {
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printf("sum in x direction = %13.5g\n", sum1);
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} else {
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printf("sum in x direction = 0\n");
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}
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if (fabs(sum2) * 1.0E14 > max2) {
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printf("sum in y direction = %13.5g\n", sum1);
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} else {
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printf("sum in y direction = 0\n");
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}
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Array2D MDdiff(nsp, nsp, 0.0);
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printf("Multicomponent Diffusion Coefficients H2 vs species\n");
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tranMix->getMultiDiffCoeffs(nsp, MDdiff.ptrColumn(0));
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for (k = 0; k < nsp; k++) {
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string sss = g.speciesName(k);
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printf(" H2 - %15s %13.5g %13.5g\n", sss.c_str(), MDdiff(0,k), MDdiff(k,0));
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}
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} catch (CanteraError) {
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showErrors(cout);
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}
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return 0;
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}
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/***********************************************************/
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