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canteraTransport more robust pure composition condition

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ignis 2017-04-04 07:17:10 +09:00
parent 8b99311014
commit d1a929a33b
1 changed files with 3 additions and 1 deletions
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4
src/thermophysicalModels/specie/transport/cantera/canteraTransport.C
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@ -159,12 +159,14 @@ void Foam::canteraTransport<Thermo>::calculateDiffusivities
{ {
cm_.gas()->setState_TPX(T, p, X_.cdata()); cm_.gas()->setState_TPX(T, p, X_.cdata());
const scalar relTol = 1.0e-15;
// check for singular case (Xi = 1) // check for singular case (Xi = 1)
label idxFracOne = -1; label idxFracOne = -1;
scalar sumX = sum(X_); scalar sumX = sum(X_);
forAll (X_, i) forAll (X_, i)
{ {
if (X_[i]/sumX == 1.0) if ((sumX-X_[i])/sumX < relTol)
{ {
idxFracOne = i; idxFracOne = i;
break; break;