eReactingFoam-4.x/diffusivityModel/Stockmayer/Stockmayer.C

114 lines
3.6 KiB
C

/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright (C) 2016 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of OpenFOAM.
OpenFOAM is free software: you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by
the Free Software Foundation, either version 3 of the License, or
(at your option) any later version.
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
for more details.
You should have received a copy of the GNU General Public License
along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
\*---------------------------------------------------------------------------*/
#include "Stockmayer.H"
#include "error.H"
// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
/*
const Foam::scalarField Foam::Stockmayer::a(
autoPtr<IStringStream>(
new IStringStream(
"6 (1.0548 0.15504 0.55909 2.1705 0.093193 1.5)"
)
)()
);
const Foam::scalarField Foam::Stockmayer::b(
autoPtr<IStringStream>(
new IStringStream(
"6 (1.0413 0.11930 0.43628 1.6041 0.095661 2.0)"
)
)()
);
*/
// * * * * * * * * * * * * * Static Member Functions * * * * * * * * * * * * //
// * * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * //
// * * * * * * * * * * * * Protected Member Functions * * * * * * * * * * * //
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
Foam::Stockmayer::Stockmayer(const Neutral& a, const Neutral& b)
:
a_(a.dipoleMoment() > 0.0 ? b : a),
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_))
{
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());
scalar ksi = 1.0 + alphaStar * muStar * Foam::sqrt(b_.wellDepth()/a_.wellDepth());
eij_ *= ksi * ksi;
sigmaij_ *= Foam::pow(ksi, -1.0/6.0);
}
}
// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * //
Foam::Stockmayer::~Stockmayer()
{}
// * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * * //
// * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * * //
void Foam::Stockmayer::operator=(const Stockmayer& rhs)
{
// Check for assignment to self
if (this == &rhs)
{
FatalErrorInFunction
<< "Attempted assignment to self"
<< abort(FatalError);
}
}
// * * * * * * * * * * * * * * Friend Functions * * * * * * * * * * * * * * //
// * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * * //
// ************************************************************************* //