119 lines
3.5 KiB
C
119 lines
3.5 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 "Ion.H"
|
|
|
|
#include "dictionary.H"
|
|
#include "scalarList.H"
|
|
|
|
// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
|
|
|
|
// const dataType Foam::Ion::staticData();
|
|
|
|
|
|
// * * * * * * * * * * * * * Static Member Functions * * * * * * * * * * * * //
|
|
|
|
|
|
// * * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * //
|
|
|
|
|
|
// * * * * * * * * * * * * Protected Member Functions * * * * * * * * * * * //
|
|
|
|
|
|
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
|
|
|
|
Foam::Ion::Ion(const dictionary& thermoDict, const dictionary& tranDict)
|
|
:
|
|
Particle(thermoDict, tranDict),
|
|
alpha_(tranDict.lookupOrDefault("dipolePolarizability", 0.0)),
|
|
C6_(0.0),
|
|
n_(tranDict.lookupOrDefault("nStockmayer", 12)),
|
|
rctTarget_(tranDict.lookupOrDefault("rctTargets", hashedWordList())),
|
|
Arct_(tranDict.lookupOrDefault("Arct", scalarList())),
|
|
Brct_(tranDict.lookupOrDefault("Brct", scalarList())),
|
|
selfInteraction(*this, *this)
|
|
{
|
|
if (z() > 0)
|
|
{
|
|
C6_ = exp(1.8853 * log(alpha_) + 0.2682); // * sqr(e);
|
|
}
|
|
else if (z() < 0)
|
|
{
|
|
C6_ = exp(3.2246 * log(alpha_) - 3.2397); // * sqr(e);
|
|
}
|
|
else
|
|
{
|
|
FatalErrorInFunction
|
|
<< "Ion must have nonzero charge number"
|
|
<< abort(FatalError);
|
|
}
|
|
|
|
}
|
|
|
|
|
|
// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * //
|
|
|
|
Foam::Ion::~Ion()
|
|
{}
|
|
|
|
|
|
// * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * * //
|
|
|
|
|
|
// * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * * //
|
|
|
|
void Foam::Ion::operator=(const Ion& rhs)
|
|
{
|
|
// Check for assignment to self
|
|
if (this == &rhs)
|
|
{
|
|
FatalErrorInFunction
|
|
<< "Attempted assignment to self"
|
|
<< abort(FatalError);
|
|
}
|
|
}
|
|
|
|
// * * * * * * * * * * * * * * Friend Functions * * * * * * * * * * * * * * //
|
|
|
|
|
|
// * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * * //
|
|
|
|
Foam::Ostream& Foam::operator<<(Ostream& os, const Ion& st)
|
|
{
|
|
os << static_cast<const Particle&>(st) << tab
|
|
<< st.alpha_ << tab
|
|
<< st.C6_ << tab
|
|
<< st.Zrot_ << tab
|
|
<< st.n_ << tab
|
|
<< st.rctTarget_ << tab
|
|
<< st.Arct_ << tab
|
|
<< st.Brct_;
|
|
|
|
os.check("Ostream& operator<<(Ostream& os, const specie& st)");
|
|
return os;
|
|
}
|
|
|
|
|
|
// ************************************************************************* //
|