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bugfix: mu and muAvg formula, Debye unit conversion, Stockmayer collision integral

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This commit is contained in:
ignis 2018-07-12 14:22:07 +09:00
parent c5027f53ba
commit 0dfbd072ed
5 changed files with 13 additions and 11 deletions
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2
diffusivityModel/Interaction/InteractionI.H
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@ -53,7 +53,7 @@ inline Foam::scalar Foam::Interaction::D(const scalar mij, const scalar p, const
inline Foam::scalar Foam::Interaction::mu(const scalar mk, const scalar T, const scalar OmegaD)
{
return (5.0/16.0) * sqrt(Foam::Particle::pi*mk*Foam::Particle::k*T) / OmegaD;
return (5.0/16.0) * sqrt(Foam::Particle::pi*mk*Foam::Particle::k*T/Foam::Particle::NA) / OmegaD;
}
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //

4
diffusivityModel/Particle/Particle.C
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@ -49,8 +49,8 @@ const Foam::scalar Foam::Particle::k = constant::physicoChemical::k.value();
//- 1 Angstom in meter
const Foam::scalar Foam::Particle::Angstrom = 1e-10;
//- 1 Debye in [ Coulomb x meter ]
const Foam::scalar Foam::Particle::Debye = 1.0 / 2.99792458e29;
//- 1 Debye in [ sqrt( J x meter ^ 3 ) ]
const Foam::scalar Foam::Particle::Debye = 1e-18 * Foam::pow(1./100., 5./2) * Foam::pow(1./1000., 1./2.);
//- Circumference / Diameter
const Foam::scalar Foam::Particle::pi = constant::mathematical::pi;

12
diffusivityModel/Stockmayer/Stockmayer.C
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@ -68,15 +68,17 @@ Foam::Stockmayer::Stockmayer(const Neutral& a, const Neutral& b)
Wij_(1.0/(1.0/a_.W() + 1.0/b_.W())),
deltaij_(a_.dipoleMoment()*b_.dipoleMoment()/2.0/(eij_*a_.k)/pow3(sigmaij_))
{
if (b_.dipoleMoment() > 0.0 && deltaij_ > 0.0)
if (b_.dipoleMoment() > 0.0 && deltaij_ == 0.0)
{
scalar alphaStar = a_.alpha() / a_.diameter() / a_.diameter() / a_.diameter();
scalar muStar = b_.dipoleMoment() / Foam::sqrt(b_.wellDepth()*b_.diameter()*b_.diameter()*b_.diameter());
const scalar alphaStar = a_.alpha() / pow3(a_.diameter()/a.Angstrom);
scalar ksi = 1.0 + alphaStar * muStar * Foam::sqrt(b_.wellDepth()/a_.wellDepth());
const scalar muStar = b_.dipoleMoment() / Foam::sqrt(b_.wellDepth()*b_.k*pow3(b_.diameter()));
const scalar ksi = 1.0 + alphaStar * muStar * Foam::sqrt(b_.wellDepth()/a_.wellDepth()) / 4.0;
eij_ *= sqr(ksi);
eij_ *= ksi * ksi;
sigmaij_ *= Foam::pow(ksi, -1.0/6.0);
}
}

4
diffusivityModel/Stockmayer/StockmayerI.H
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@ -40,14 +40,14 @@ License
inline Foam::scalar Foam::Stockmayer::Omega11(const scalar Tstar)
{
constexpr 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]);
return (a[0] * power(Tstar, -a[1]) + power(Tstar + a[2], -a[3]))*f11(Tstar);
}
inline Foam::scalar Foam::Stockmayer::Omega22(const scalar Tstar)
{
constexpr 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]);
return (b[0] * power(Tstar, -b[1]) + power(Tstar + b[2], -b[3]))*f22(Tstar);
}

2
diffusivityModel/diffusivityModel/diffusivityModel.C
View file

@ -139,7 +139,7 @@ Foam::scalar Foam::diffusivityModel::mixAvgMu(const UList<scalar>& muI, const UL
const scalar muj = muI[j];
const scalar muk = muI[k];
Phi(k,j) = a * sqrt(1. + Wk/Wj) * sqr(1. + sqrt(muk/muj)*pow(Wj/Wk, 1./4.));
Phi(k,j) = a * sqr(1. + sqrt(muk/muj)*pow(Wj/Wk, 1./4.)) / sqrt(1. + Wk/Wj);
}
}