research/eReactingFoam-4.x
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions

Stockmayer mu calculation and diffusivityModel X calculation

Browse source
This commit is contained in:
ignis 2018-04-29 03:25:11 +09:00
parent aaf2c181ce
commit 7baaa4f389
4 changed files with 23 additions and 12 deletions
Show stats Download patch file Download diff file Expand all files Collapse all files

6
diffusivityModel/Stockmayer/Stockmayer.C
View file

@ -47,12 +47,6 @@ const Foam::scalarField Foam::Stockmayer::b(
);
*/
const Foam::scalar Foam::Stockmayer::a[6] =
{ 1.0548, 0.15504, 0.55909, 2.1705, 0.093193, 1.5 };
const Foam::scalar Foam::Stockmayer::b[6] =
{ 1.0413, 0.11930, 0.43628, 1.6041, 0.095661, 2.0 };
// * * * * * * * * * * * * * Static Member Functions * * * * * * * * * * * * //

6
diffusivityModel/Stockmayer/Stockmayer.H
View file

@ -101,12 +101,6 @@ public:
// Static data members
//- Coefficients for Omega(1,1) fitting
static const scalar a[6];
//- Coefficients for Omega(2,2) fitting
static const scalar b[6];
// Constructors

12
diffusivityModel/Stockmayer/StockmayerI.H
View file

@ -45,26 +45,31 @@ inline Foam::scalar Foam::Stockmayer::expon(const scalar a)
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
inline Foam::scalar Foam::Stockmayer::Omega11(const scalar Tstar)
{
const scalar a[6] = { 1.0548, 0.15504, 0.55909, 2.1705, 0.093193, 1.5 };
return a[0] * power(Tstar, -a[1]) + power(Tstar + a[2], -a[3]);
}
inline Foam::scalar Foam::Stockmayer::Omega22(const scalar Tstar)
{
const scalar b[6] = { 1.0413, 0.11930, 0.43628, 1.6041, 0.095661, 2.0 };
return b[0] * power(Tstar, -b[1]) + power(Tstar + b[2], -b[3]);
}
inline Foam::scalar Foam::Stockmayer::f11(const scalar Tstar)
{
const scalar a[6] = { 1.0548, 0.15504, 0.55909, 2.1705, 0.093193, 1.5 };
return 1.0 + sqr(deltaij_)*(expon(a[4]/Tstar)-expon(-a[5]/Tstar))/(2 + 2.5*deltaij_);
}
inline Foam::scalar Foam::Stockmayer::f22(const scalar Tstar)
{
const scalar b[6] = { 1.0413, 0.11930, 0.43628, 1.6041, 0.095661, 2.0 };
return 1.0 + sqr(deltaij_)*(expon(b[4]/Tstar)-expon(-b[5]/Tstar))/(2 + 2.5*deltaij_);
}
@ -76,6 +81,13 @@ inline Foam::scalar Foam::Stockmayer::D(const scalar p, const scalar T)
}
inline Foam::scalar Foam::Stockmayer::mu(const scalar p, const scalar T)
{
return (5.0/16.0) * sqrt(2.0*Wij_*a_.k*T/(a_.pi*a_.NA))
/ (sqr(sigmaij_) * Omega22(T/eij_));
}
// * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * //

11
diffusivityModel/diffusivityModel/diffusivityModel.C
View file

@ -261,11 +261,17 @@ void Foam::diffusivityModel::correct()
const scalar pi = p[celli];
const scalar Ti = T[celli];
const scalar Cvi = Cv[celli];
const scalar WbarI = Wbar[celli];
scalarField localX(species_.size());
scalarField localY(species_.size());
scalarField localD(species_.size());
forAll (species_, i)
{
localY[i] = Y[i][celli];
localX[i] = Y[i][celli] * WbarI / Wpure[i];
}
label idx = 0;
@ -282,7 +288,12 @@ void Foam::diffusivityModel::correct()
}
// DMat = 0;
//
}
forAll (species_, i)
{
// localD[i] = mixAvgD(Dij.row(i));
}
Info << localY << endl;