class Ion base, copy of class Neutral
This commit is contained in:
ignis
parent
80c5f0d65a
commit
a92de83589
5 changed files with 419 additions and 0 deletions
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@ -1,5 +1,6 @@
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diffusivityModel/Particle/Particle.C
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diffusivityModel/Neutral/Neutral.C
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diffusivityModel/Ion/Ion.C
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diffusivityModel/Stockmayer/Stockmayer.C
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@ -1,6 +1,7 @@
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EXE_INC = \
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-IdiffusivityModel/Particle \
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-IdiffusivityModel/Neutral \
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-IdiffusivityModel/Ion \
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-IdiffusivityModel/Stockmayer \
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-IdiffusivityModel/diffusivityModel \
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-I$(LIB_SRC)/finiteVolume/lnInclude \
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120
diffusivityModel/Ion/Ion.C
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120
diffusivityModel/Ion/Ion.C
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@ -0,0 +1,120 @@
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/*---------------------------------------------------------------------------*\
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========= |
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\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
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\\ / O peration |
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\\ / A nd | Copyright (C) 2016 OpenFOAM Foundation
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\\/ M anipulation |
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-------------------------------------------------------------------------------
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License
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This file is part of OpenFOAM.
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OpenFOAM is free software: you can redistribute it and/or modify it
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under the terms of the GNU General Public License as published by
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the Free Software Foundation, either version 3 of the License, or
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(at your option) any later version.
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OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
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ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
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FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
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for more details.
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You should have received a copy of the GNU General Public License
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along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
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\*---------------------------------------------------------------------------*/
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#include "Ion.H"
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#include "dictionary.H"
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#include "scalarList.H"
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// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
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// const dataType Foam::Ion::staticData();
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// * * * * * * * * * * * * * Static Member Functions * * * * * * * * * * * * //
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// * * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * //
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// * * * * * * * * * * * * Protected Member Functions * * * * * * * * * * * //
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// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
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Foam::Ion::Ion(const dictionary& dict)
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:
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Particle(dict),
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wellDepth_(dict.lookupOrDefault("wellDepth", 0.0)),
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diameter_(dict.lookupOrDefault("diameter", 0.0)),
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dipoleMoment_(dict.lookupOrDefault("dipoleMoment", 0.0)),
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alpha_(dict.lookupOrDefault("dipolePolarizability", 0.0)),
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alphaQ_(dict.lookupOrDefault("quadpolePolarizability", 0.0)),
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C6_(dict.lookupOrDefault("dispersionCoef", 0.0)),
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Zrot_(dict.lookupOrDefault("rotationalRelaxation", 0.0))
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{
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const entry* entryPtr = dict.lookupEntryPtr("tranlib", false, true);
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if (entryPtr)
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{
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scalarList tranlib(entryPtr->stream());
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wellDepth_ = tranlib[1];
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diameter_ = tranlib[2];
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dipoleMoment_ = tranlib[3];
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alpha_ = tranlib[4];
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// alphaQ_ = tranlib[0];
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// C6_ = tranlib[0];
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Zrot_ = tranlib[5];
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}
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}
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// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * //
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Foam::Ion::~Ion()
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{}
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// * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * * //
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// * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * * //
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void Foam::Ion::operator=(const Ion& rhs)
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{
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// Check for assignment to self
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if (this == &rhs)
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{
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FatalErrorInFunction
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<< "Attempted assignment to self"
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<< abort(FatalError);
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}
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}
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// * * * * * * * * * * * * * * Friend Functions * * * * * * * * * * * * * * //
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// * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * * //
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Foam::Ostream& Foam::operator<<(Ostream& os, const Ion& st)
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{
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os << static_cast<const Particle&>(st) << tab
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<< st.wellDepth_ << tab
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<< st.diameter_ << tab
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<< st.dipoleMoment_ << tab
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<< st.alpha_ << tab
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<< st.alphaQ_ << tab
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<< st.C6_ << tab
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<< st.Zrot_;
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os.check("Ostream& operator<<(Ostream& os, const specie& st)");
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return os;
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}
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// ************************************************************************* //
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176
diffusivityModel/Ion/Ion.H
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176
diffusivityModel/Ion/Ion.H
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@ -0,0 +1,176 @@
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/*---------------------------------------------------------------------------*\
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========= |
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\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
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\\ / O peration |
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\\ / A nd | Copyright (C) 2016 OpenFOAM Foundation
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\\/ M anipulation |
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-------------------------------------------------------------------------------
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License
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This file is part of OpenFOAM.
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OpenFOAM is free software: you can redistribute it and/or modify it
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under the terms of the GNU General Public License as published by
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the Free Software Foundation, either version 3 of the License, or
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(at your option) any later version.
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OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
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ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
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FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
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for more details.
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You should have received a copy of the GNU General Public License
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along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
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Class
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Foam::Ion
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Description
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SourceFiles
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IonI.H
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Ion.C
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IonIO.C
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\*---------------------------------------------------------------------------*/
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#ifndef Ion_H
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#define Ion_H
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#include "Particle.H"
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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namespace Foam
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{
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// Forward declaration of classes
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class Istream;
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class Ostream;
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// Forward declaration of friend functions and operators
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class Ion;
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Istream& operator>>(Istream&, Ion&);
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Ostream& operator<<(Ostream&, const Ion&);
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/*---------------------------------------------------------------------------*\
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Class Ion Declaration
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\*---------------------------------------------------------------------------*/
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class Ion
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:
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public Particle
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{
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// Private data
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//- Lenard-Jones parameter - potential well depth
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//- epsilon / kB [K]
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scalar wellDepth_;
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//- Lenard-Jones parameter - collision diameter [Angstrom]
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scalar diameter_;
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//- Dipole moment [Debye]
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scalar dipoleMoment_;
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//- Dipole polarizability [Angstrom^3]
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scalar alpha_;
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//- Quadrupole polarizability []
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scalar alphaQ_;
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//- Dispersion coefficient []
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scalar C6_;
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//- Rotational relaxation collision number [-]
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scalar Zrot_;
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// Private Member Functions
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//- Disallow default bitwise copy construct
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Ion(const Ion&);
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//- Disallow default bitwise assignment
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void operator=(const Ion&);
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public:
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// Static data members
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//- Static data staticData
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// static const dataType staticData;
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// Constructors
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//- Construct from components
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Ion(const dictionary& dict);
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//- Construct from Istream
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Ion(Istream&);
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//- Construct as copy
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// Ion(const Ion&);
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//- Destructor
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~Ion();
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// Member Functions
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// Access
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inline scalar wellDepth() const;
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inline scalar diameter() const;
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inline scalar dipoleMoment() const;
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inline scalar alpha() const;
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inline scalar alphaQ() const;
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inline scalar C6() const;
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inline scalar Zrot() const;
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inline scalar Zrot(scalar T) const;
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// Check
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// Edit
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// Write
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// Member Operators
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// void operator=(const Ion&);
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// Friend Functions
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// Friend Operators
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// IOstream Operators
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friend Istream& operator>>(Istream&, Ion&);
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friend Ostream& operator<<(Ostream&, const Ion&);
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};
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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} // End namespace Foam
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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#include "IonI.H"
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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#endif
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// ************************************************************************* //
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121
diffusivityModel/Ion/IonI.H
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121
diffusivityModel/Ion/IonI.H
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@ -0,0 +1,121 @@
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/*---------------------------------------------------------------------------*\
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========= |
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\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
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\\ / O peration |
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\\ / A nd | Copyright (C) 2016 OpenFOAM Foundation
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\\/ M anipulation |
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-------------------------------------------------------------------------------
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License
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This file is part of OpenFOAM.
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OpenFOAM is free software: you can redistribute it and/or modify it
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under the terms of the GNU General Public License as published by
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the Free Software Foundation, either version 3 of the License, or
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(at your option) any later version.
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OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
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ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
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FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
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for more details.
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You should have received a copy of the GNU General Public License
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along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
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\*---------------------------------------------------------------------------*/
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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// * * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * //
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// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
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// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * //
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// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
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inline Foam::scalar Foam::Ion::wellDepth()
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const
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{
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return wellDepth_;
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}
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inline Foam::scalar Foam::Ion::diameter()
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const
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{
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return diameter_ * Angstrom;
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}
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inline Foam::scalar Foam::Ion::dipoleMoment()
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const
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{
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return dipoleMoment_ * Debye;
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}
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inline Foam::scalar Foam::Ion::alpha()
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const
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{
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return alpha_;
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}
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inline Foam::scalar Foam::Ion::alphaQ()
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const
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{
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return alphaQ_;
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}
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inline Foam::scalar Foam::Ion::C6()
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const
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{
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return C6_;
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}
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inline Foam::scalar Foam::Ion::Zrot()
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const
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{
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return Zrot_;
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}
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inline Foam::scalar Foam::Ion::Zrot(const scalar T)
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const
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{
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scalar a3 = sqrt(pow3(pi));
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scalar a1 = a3/2.0;
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scalar a2 = sqr(pi) / 4.0 + 2.0;
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scalar t1 = sqrt(wellDepth_/T);
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scalar t2 = wellDepth_/T;
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scalar t3 = t1 * t2;
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return 1.0 + a1 * t1 + a2 * t2 + a3 * t3;
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}
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// * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * //
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// * * * * * * * * * * * * * * * Friend Functions * * * * * * * * * * * * * //
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// * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * //
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// * * * * * * * * * * * * * * IOstream Operators * * * * * * * * * * * * * //
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// * * * * * * * * * * * * * * * Ostream Operator * * * * * * * * * * * * * //
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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// ************************************************************************* //
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