diff --git a/diffusivityModel/GasState/GasStateI.H b/diffusivityModel/GasState/GasStateI.H index 4cce4b3..154d9a7 100644 --- a/diffusivityModel/GasState/GasStateI.H +++ b/diffusivityModel/GasState/GasStateI.H @@ -109,8 +109,9 @@ inline Foam::scalar Foam::GasState::rhoQc2() const { sumZN += X_[i] * thermos(i).z(); } - sumZN *= (rho()/W()) * Foam::constant::physicoChemical::NA.value() * 1000; - return sumZN; + return sumZN * (rho()/W()) + * Foam::constant::electromagnetic::e.value() + * Foam::constant::physicoChemical::NA.value() * 1000.0; } diff --git a/diffusivityModel/diffusivityModel/diffusivityModel.C b/diffusivityModel/diffusivityModel/diffusivityModel.C index b69a605..3971cb6 100644 --- a/diffusivityModel/diffusivityModel/diffusivityModel.C +++ b/diffusivityModel/diffusivityModel/diffusivityModel.C @@ -710,14 +710,13 @@ void Foam::diffusivityModel::correct() forAll (species_, i) { localY[i] = Y[i][celli]; - localX[i] = Y[i][celli] * WbarI / Wpure[i]; } GasState state (pi, Ti, localY); - calculateMuD ( muI, Dij, pi, Ti, rhoQc2i, localY, localX); + localX = state.X(); - // calculateMuD ( muI, Dij, state); + calculateMuD (muI, Dij, state); forAll (Dii, i) { @@ -777,10 +776,13 @@ void Foam::diffusivityModel::correct() forAll (species_, i) { localY[i] = Y[i].boundaryField()[patchi][facei]; - localX[i] = localY[i] * WbarI / Wpure[i]; } - calculateMuD ( muI, Dij, pi, Ti, rhoQc2i, localY, localX); + GasState state (pi, Ti, localY); + + localX = state.X(); + + calculateMuD (muI, Dij, state); forAll (Dii, i) {