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multicomponent transport working

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This commit is contained in:
Dave Goodwin 2003-11-12 18:56:04 +00:00
parent efb218bb05
commit 4350fc9bb7
1 changed files with 26 additions and 12 deletions
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38
Cantera/src/oneD/StFlow.cpp
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@ -261,9 +261,12 @@ namespace Cantera {
if (m_trans->model() == cMulticomponent) {
m_transport_option = c_Multi_Transport;
m_diff.resize(m_nsp*m_nsp*m_points);
m_dthermal.resize(m_nsp, m_points, 0.0);
}
else if (m_trans->model() == cMixtureAveraged) {
m_transport_option = c_Mixav_Transport;
m_diff.resize(m_nsp*m_points);
if (withSoret)
throw CanteraError("setTransport",
"Thermal diffusion (the Soret effect) "
@ -374,15 +377,15 @@ namespace Cantera {
// update properties
//-----------------------------------------------------
// thermodynamic properties only if a Jacobian is
// not being evaluated
if (jpt < 0)
// update thermodynamic properties only if a Jacobian is not
// being evaluated
if (jpt < 0 || (m_transport_option == c_Multi_Transport)) {
updateThermo(x, j0, j1);
// update transport properties only if a Jacobian is
// not being evaluated
if (jpt < 0)
// update transport properties only if a Jacobian is not being
// evaluated
updateTransport(x, j0, j1);
}
// update the species diffusive mass fluxes whether or not a
// Jacobian is being evaluated
@ -600,10 +603,18 @@ namespace Cantera {
else if (m_transport_option == c_Multi_Transport) {
for (j = j0; j < j1; j++) {
setGasAtMidpoint(x,j);
//dz = m_z[j+1] - m_z[j];
m_visc[j] = m_trans->viscosity();
m_trans->getMultiDiffCoeffs(m_nsp,
m_diff.begin() + mindex(0,0,j));
//for (k = 0; k < m_nsp; k++) {
m_tcon[j] = m_trans->thermalConductivity();
if (m_do_soret) {
m_trans->getThermalDiffCoeffs(m_dthermal.begin() + j*m_nsp);
}
}
}
}
@ -904,7 +915,8 @@ namespace Cantera {
void StFlow::updateDiffFluxes(const doublereal* x, int j0, int j1) {
int j, k, m;
doublereal sum, wtm, rho, dz, gradlogT, s;
doublereal fluxsum;
char ch;
switch (m_transport_option) {
case c_Mixav_Transport:
@ -929,15 +941,18 @@ namespace Cantera {
wtm = m_wtm[m];
rho = density(m);
dz = z(m+1) - z(m);
fluxsum = 0.0;
for (k = 0; k < m_nsp; k++) {
sum = 0.0;
for (j = 0; j < m_nsp; j++) {
s = m_wt[j]*m_diff[mindex(k,j,m)];
s *= (X(x,k,m+1) - X(x,k,m))/dz;
sum += s;
if (j != k) {
s = m_wt[j]*m_diff[mindex(k,j,m)];
s *= (X(x,j,m+1) - X(x,j,m))/dz;
sum += s;
}
}
m_flux(k,m) = sum*rho*m_wt[k]/(wtm*wtm);
fluxsum -= m_flux(k,m);
}
}
break;
@ -946,7 +961,6 @@ namespace Cantera {
}
if (m_do_soret) {
throw CanteraError("updateDiffFluxes","not yet");
for (m = j0; m < j1; m++) {
gradlogT = 2.0*(T(x,m+1) - T(x,m))/(T(x,m+1) + T(x,m));
for (k = 0; k < m_nsp; k++) {