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

corrected errors in Diffusivity and Viscosity formulae

Browse source
This commit is contained in:
ignis 2018-06-10 04:02:30 +09:00
parent 2b44e65696
commit d71978e286
9 changed files with 38 additions and 14 deletions
Show stats Download patch file Download diff file Expand all files Collapse all files

6
diffusivityModel/Coulomb/CoulombI.H
View file

@ -57,8 +57,7 @@ inline Foam::scalar Foam::Coulomb::D(const scalar p, const scalar T, const scala
{
scalar sigmaij_ = sqrt(Foam::Ion::eps0 * Foam::Ion::k * T / (rhoQc2 + ROOTVSMALL)); // Debye length
return (3.0/8.0) * sqrt(2.0*Foam::Ion::pi*Foam::Ion::NA*pow3(Foam::Ion::k*T)/Wij_)
/ (Foam::Ion::pi * sqr(sigmaij_) * p * Omega11(sigmaij_*T/eij_));
return Interaction::D(Wij_, p, T, (Foam::Particle::pi * sqr(sigmaij_) * Omega11(T/eij_)));
}
@ -66,8 +65,7 @@ inline Foam::scalar Foam::Coulomb::mu(const scalar p, const scalar T, const scal
{
scalar sigmaij_ = sqrt(Foam::Ion::eps0 * Foam::Ion::k * T / (rhoQc2 + ROOTVSMALL)); // Debye length
return (5.0/16.0) * sqrt(2.0*Wij_*Foam::Ion::k*T/(Foam::Ion::pi*Foam::Ion::NA))
/ (sqr(sigmaij_) * Omega22(sigmaij_*T/eij_));
return Interaction::mu(2.0*Wij_, T, (Foam::Particle::pi * sqr(sigmaij_) * Omega22(T/eij_)));
}

8
diffusivityModel/Interaction/Interaction.H
View file

@ -38,6 +38,8 @@ SourceFiles
#include "scalar.H"
#include "Particle.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
@ -82,6 +84,12 @@ protected:
//- Disallow default bitwise assignment
inline scalar loge(const scalar a);
//- Disallow default bitwise assignment
inline scalar D(const scalar mij, const scalar p, const scalar T, const scalar OmegaD);
//- Disallow default bitwise assignment
inline scalar mu(const scalar mk, const scalar T, const scalar OmegaD);
public:

12
diffusivityModel/Interaction/InteractionI.H
View file

@ -44,6 +44,18 @@ inline Foam::scalar Foam::Interaction::loge(const scalar a)
return log(a);
}
inline Foam::scalar Foam::Interaction::D(const scalar mij, const scalar p, const scalar T, const scalar OmegaD)
{
return (3.0/16.0) * sqrt(2.0*Foam::Particle::pi*Foam::Particle::NA*pow3(Foam::Particle::k*T)/mij) / (p * OmegaD);
}
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;
}
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //

2
diffusivityModel/N64/N64.C
View file

@ -77,6 +77,7 @@ 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)),
piSigmaSqr_(Foam::Particle::pi*sqr(sigmaij_ * Foam::Particle::Angstrom)),
eij_(5.2 * b_.alpha() * sqr(a_.z()) * (1.0 + ksiij_) / pow4(sigmaij_) / (a_.k/a_.e)),
C6ij_(0.0),
gammaij_(0.0),
@ -163,6 +164,7 @@ Foam::N64::N64(const Ion& a, const Neutral& b)
Info << b22_ << endl;
*/
}

3
diffusivityModel/N64/N64.H
View file

@ -81,6 +81,9 @@ class N64
//- Combined collision diameter [A] (Angstrom)
scalar sigmaij_;
//- Combined collision circle area [m^2]
scalar piSigmaSqr_;
//- Combined well depth, /kB [K]
scalar eij_;

7
diffusivityModel/N64/N64I.H
View file

@ -73,15 +73,14 @@ 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_ * a_.Angstrom) * p * Omega11(T/eij_));
return Interaction::D(Wij_, p, T, (piSigmaSqr_ * 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_ * a_.Angstrom) * Omega22(T/eij_));
return Interaction::mu(2.0*Wij_, T, (piSigmaSqr_ * Omega22(T/eij_)));
}

1
diffusivityModel/Stockmayer/Stockmayer.C
View file

@ -64,6 +64,7 @@ Foam::Stockmayer::Stockmayer(const Neutral& a, const Neutral& b)
b_(a.dipoleMoment() > 0.0 ? a : b),
eij_(Foam::sqrt(a_.wellDepth()*b_.wellDepth())),
sigmaij_((a_.diameter()+b_.diameter())/2.0),
piSigmaSqr_(Foam::Particle::pi * sqr(sigmaij_)),
Wij_(1.0/(1.0/a_.W() + 1.0/b_.W())),
deltaij_(a_.dipoleMoment()*b_.dipoleMoment()/2.0/(eij_*a_.k)/pow3(sigmaij_))
{

7
diffusivityModel/Stockmayer/Stockmayer.H
View file

@ -71,12 +71,15 @@ class Stockmayer
//- Collision participant b
const Neutral &b_;
//- Combined well depth
//- Combined well depth, /kB [K]
scalar eij_;
//- Combined diameter
//- Combined diameter [m]
scalar sigmaij_;
//- Combined circle area [m^2]
scalar piSigmaSqr_;
//- Combined molecular weight
scalar Wij_;

6
diffusivityModel/Stockmayer/StockmayerI.H
View file

@ -67,15 +67,13 @@ inline Foam::scalar Foam::Stockmayer::f22(const scalar Tstar)
inline Foam::scalar Foam::Stockmayer::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(T/eij_));
return Interaction::D(Wij_, p, T, (piSigmaSqr_ * Omega11(T/eij_)));
}
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_));
return Interaction::mu(2.0*Wij_, T, (piSigmaSqr_ * Omega22(T/eij_)));
}