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corrected units of (12,6,4) potential parameters sigma and epsilon

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ignis 2018-05-25 05:18:49 +09:00
parent 71d5f6b6bf
commit 3c91307cfb
4 changed files with 7 additions and 7 deletions
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2
diffusivityModel/Coulomb/Coulomb.H
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@ -71,7 +71,7 @@ class Coulomb
//- Collision participant b
const Ion &b_;
//- Combined well depth (depend on Length)
//- Combined well depth (depend on Debye Length)
scalar eij_;
//- Combined molecular weight

2
diffusivityModel/N64/N64.C
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@ -68,7 +68,7 @@ Foam::N64::N64(const Ion& a, const Neutral& b)
b_(b),
ksiij_(a_.alpha()/(sqr(a_.z())*sqrt(b_.alpha())*(1.0+pow(2.0*a_.alpha()/b_.alpha(),2./3.)))),
sigmaij_(K1 * (pow(a_.alpha(), 1./3.) + pow(b_.alpha(), 1./3.)) / pow(a_.alpha()*b_.alpha()*(1. + 1./ksiij_), kappa)),
eij_(5.2 * b_.alpha() * sqr(a_.z()) * (1.0 + ksiij_) / pow4(sigmaij_)),
eij_(5.2 * b_.alpha() * sqr(a_.z()) * (1.0 + ksiij_) / pow4(sigmaij_) / (a_.k/a_.e)),
C6ij_(0.0),
gammaij_(0.0),
Wij_(1.0/(1.0/a_.W() + 1.0/b_.W()))

6
diffusivityModel/N64/N64.H
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@ -81,13 +81,13 @@ class N64
//- Combined collision diameter [A] (Angstrom)
scalar sigmaij_;
//- Combined well depth [eV]
//- Combined well depth, /kB [K]
scalar eij_;
//- Combined dispersion coefficient C6/(e^2) [A^5]
//- Combined dispersion coefficient, C6/(e^2) [A^5]
scalar C6ij_;
//- Collision integral parameter 2
//- Collision integral parameter
scalar gammaij_;
//- Combined molecular weight

4
diffusivityModel/N64/N64I.H
View file

@ -74,14 +74,14 @@ inline Foam::scalar Foam::N64::Omega22(const scalar Tstar)
inline Foam::scalar Foam::N64::D(const scalar p, const scalar T)
{
return (3.0/8.0) * sqrt(2.0*a_.pi*a_.NA*pow3(a_.k*T)/Wij_)
/ (a_.pi * sqr(sigmaij_) * p * Omega11(sigmaij_*T/eij_));
/ (a_.pi * sqr(sigmaij_ * a_.Angstrom) * p * Omega11(T/eij_));
}
inline Foam::scalar Foam::N64::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(sigmaij_*T/eij_));
/ (sqr(sigmaij_ * a_.Angstrom) * Omega22(T/eij_));
}