ElectronIReaction<> completed
a. Separate CSV table lookup to Bolsig reaction rate class
b. BolsigFitReactionRate
c. Instantiation changed
d. Support for hasElectron predicate
This commit is contained in:
ignis
parent
70a5b812e5
commit
738f93bdf0
9 changed files with 530 additions and 7 deletions
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@ -81,8 +81,8 @@ ElectronIReaction
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)
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:
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ReactionType<ReactionThermo>(species, thermoDatabase, dict),
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k_(species, dict),
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ke_(new CSV<scalar> ("k", dict))
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k_(species, dict)// ,
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// ke_(new CSV<scalar> ("k", dict))
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{}
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@ -124,7 +124,10 @@ Foam::scalar Foam::ElectronIReaction
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const scalarField& c
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) const
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{
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return ke_->value(this->En());
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// 1 Vm^2 -> 1e21 Td
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// m^3/s -> NA m^3/kmol/s
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// return ke_->value(this->En() / 1e-21) * ReactionThermo::NA;
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return k_(this->En(), this->Te(), c);
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}
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@ -63,8 +63,6 @@ class ElectronIReaction
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ReactionRate k_;
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autoPtr<TableBase<scalar> > ke_;
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// Private Member Functions
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@ -179,6 +177,10 @@ public:
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//- Write
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virtual void write(Ostream&) const;
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//- Check whether electron reaction
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virtual bool hasElectron() const {return true;}
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};
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@ -376,6 +376,10 @@ public:
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virtual void write(Ostream&) const;
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//- Check whether electron reaction
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virtual bool hasElectron() const {return false;}
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// Ostream Operator
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friend Ostream& operator<< <ReactionThermo>
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@ -0,0 +1,137 @@
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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) 2011-2012 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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||||
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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::BolsigFitReactionRate
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Description
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BolsigFit reaction rate given by:
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k = A * T^beta * exp(-Ta/T)
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SourceFiles
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BolsigFitReactionRateI.H
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\*---------------------------------------------------------------------------*/
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#ifndef BolsigFitReactionRate_H
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#define BolsigFitReactionRate_H
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#include "scalarField.H"
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#include "typeInfo.H"
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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namespace Foam
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{
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/*---------------------------------------------------------------------------*\
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Class BolsigFitReactionRate Declaration
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\*---------------------------------------------------------------------------*/
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class BolsigFitReactionRate
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{
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// Private data
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scalar A_;
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scalar B_;
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scalar C_;
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scalar D_;
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scalar E_;
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scalar threshold_;
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// scalar beta_;
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// scalar Ta_;
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public:
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// Constructors
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//- Construct from components
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inline BolsigFitReactionRate
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(
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const scalar A,
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const scalar B,
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const scalar C,
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const scalar D,
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const scalar E,
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const scalar threshold
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);
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//- Construct from Istream
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inline BolsigFitReactionRate
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(
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const speciesTable& species,
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Istream& is
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);
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//- Construct from dictionary
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inline BolsigFitReactionRate
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(
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const speciesTable& species,
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const dictionary& dict
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);
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// Member Functions
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//- Return the type name
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static word type()
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{
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return "BolsigFit";
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}
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inline scalar operator()
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(
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const scalar p,
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const scalar T,
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const scalarField& c
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) const;
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//- Write to stream
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inline void write(Ostream& os) const;
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// Ostream Operator
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inline friend Ostream& operator<<
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(
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Ostream&,
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const BolsigFitReactionRate&
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);
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};
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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} // End namespace Foam
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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#include "BolsigFitReactionRateI.H"
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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#endif
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// ************************************************************************* //
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@ -0,0 +1,139 @@
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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) 2011-2012 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
|
||||
for more details.
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||||
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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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// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
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inline Foam::BolsigFitReactionRate::BolsigFitReactionRate
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(
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const scalar A,
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const scalar B,
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const scalar C,
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const scalar D,
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const scalar E,
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const scalar threshold
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)
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:
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A_(A),
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B_(B),
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C_(C),
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D_(D),
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E_(E),
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threshold_(threshold)
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{}
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inline Foam::BolsigFitReactionRate::BolsigFitReactionRate
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(
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const speciesTable&,
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Istream& is
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)
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:
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A_(readScalar(is.readBegin("BolsigFitReactionRate(Istream&)"))),
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B_(readScalar(is)),
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C_(readScalar(is)),
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D_(readScalar(is)),
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E_(readScalar(is)),
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threshold_(readScalar(is))
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{
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is.readEnd("BolsigFitReactionRate(Istream&)");
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}
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inline Foam::BolsigFitReactionRate::BolsigFitReactionRate
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(
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const speciesTable&,
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const dictionary& dict
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)
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:
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A_(readScalar(dict.lookup("A"))),
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B_(readScalar(dict.lookup("B"))),
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C_(readScalar(dict.lookup("C"))),
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D_(readScalar(dict.lookup("D"))),
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E_(readScalar(dict.lookup("E"))),
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threshold_(readScalar(dict.lookup("EnThreshold")))
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{}
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// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
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inline Foam::scalar Foam::BolsigFitReactionRate::operator()
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(
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const scalar p,
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const scalar T,
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const scalarField&
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) const
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{
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const scalar oneTd = 1.0e-21; // 1e-21 Vm^2 = 1 Td
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const scalar NA = 6.0221417930e+23; // mol^-1
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const scalar mol2kmol = 1000.0; //mol/kmol^-1
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// p is actually E/n in Vm^2 unit
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scalar x = p / oneTd;
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scalar ak = 0.0;
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// threshold_ is E/n threshold in Td unit
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if (x > threshold_)
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{
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scalar x2 = x * x;
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scalar x3 = x2 * x;
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scalar lnx = log(x);
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ak = exp(A_ + B_*lnx + C_/x + D_/x2 + E_/x3) * NA * mol2kmol;
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}
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return ak > 0.0 ? ak : 0.0;
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}
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inline void Foam::BolsigFitReactionRate::write(Ostream& os) const
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{
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os.writeKeyword("A") << A_ << token::END_STATEMENT << nl;
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os.writeKeyword("B") << B_ << token::END_STATEMENT << nl;
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os.writeKeyword("C") << C_ << token::END_STATEMENT << nl;
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os.writeKeyword("D") << D_ << token::END_STATEMENT << nl;
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os.writeKeyword("E") << E_ << token::END_STATEMENT << nl;
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os.writeKeyword("EnThreshold") << threshold_ << token::END_STATEMENT << nl;
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}
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inline Foam::Ostream& Foam::operator<<
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(
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Ostream& os,
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const BolsigFitReactionRate& arr
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)
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{
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os << token::BEGIN_LIST
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<< arr.A_ << token::SPACE
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<< arr.B_ << token::SPACE
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<< arr.C_ << token::SPACE
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<< arr.D_ << token::SPACE
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<< arr.E_ << token::SPACE
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<< arr.threshold_
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<< token::END_LIST;
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return os;
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}
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// ************************************************************************* //
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@ -0,0 +1,134 @@
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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) 2011-2012 OpenFOAM Foundation
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\\/ M anipulation |
|
||||
-------------------------------------------------------------------------------
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||||
License
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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/>.
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Class
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Foam::BolsigTableReactionRate
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Description
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BolsigTable reaction rate given by:
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k = A * T^beta * exp(-Ta/T)
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SourceFiles
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BolsigTableReactionRateI.H
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\*---------------------------------------------------------------------------*/
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#ifndef BolsigTableReactionRate_H
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#define BolsigTableReactionRate_H
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#include "scalarField.H"
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#include "typeInfo.H"
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#include "CSV.H"
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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namespace Foam
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{
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/*---------------------------------------------------------------------------*\
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Class BolsigTableReactionRate Declaration
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\*---------------------------------------------------------------------------*/
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class BolsigTableReactionRate
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{
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// Private data
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// scalar A_;
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// scalar B_;
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// scalar C_;
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// scalar D_;
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// scalar E_;
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// scalar beta_;
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// scalar Ta_;
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autoPtr<TableBase<scalar> > ke_;
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public:
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// Constructors
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//- Construct from components
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inline BolsigTableReactionRate
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(
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);
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//- Construct from Istream
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inline BolsigTableReactionRate
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(
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const speciesTable& species,
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Istream& is
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);
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//- Construct from dictionary
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inline BolsigTableReactionRate
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(
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const speciesTable& species,
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const dictionary& dict
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);
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// Member Functions
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//- Return the type name
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static word type()
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{
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return "BolsigTable";
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}
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inline scalar operator()
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(
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const scalar p,
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const scalar T,
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const scalarField& c
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) const;
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//- Write to stream
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inline void write(Ostream& os) const;
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// Ostream Operator
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inline friend Ostream& operator<<
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(
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Ostream&,
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const BolsigTableReactionRate&
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);
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};
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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} // End namespace Foam
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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#include "BolsigTableReactionRateI.H"
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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#endif
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// ************************************************************************* //
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|
|
@ -0,0 +1,95 @@
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|||
/*---------------------------------------------------------------------------*\
|
||||
========= |
|
||||
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
|
||||
\\ / O peration |
|
||||
\\ / A nd | Copyright (C) 2011-2012 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/>.
|
||||
|
||||
\*---------------------------------------------------------------------------*/
|
||||
|
||||
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
|
||||
|
||||
inline Foam::BolsigTableReactionRate::BolsigTableReactionRate
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(
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)
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:
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ke_(NULL)
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{}
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||||
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inline Foam::BolsigTableReactionRate::BolsigTableReactionRate
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(
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const speciesTable&,
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Istream& is
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)
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:
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ke_(NULL)
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{
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}
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inline Foam::BolsigTableReactionRate::BolsigTableReactionRate
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(
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const speciesTable&,
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const dictionary& dict
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||||
)
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||||
:
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ke_(new CSV<scalar> ("k", dict))
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{}
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||||
|
||||
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// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
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||||
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inline Foam::scalar Foam::BolsigTableReactionRate::operator()
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(
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const scalar p,
|
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const scalar T,
|
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const scalarField&
|
||||
) const
|
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{
|
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const scalar NA = 6.0221417930e+23; // mol^-1
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const scalar mol2kmol = 1000.0; //mol/kmol^-1
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const scalar oneTd = 1.0e-21; // 1e-21 Vm^2 = 1 Td
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// p is actually E/n in Vm^2 unit
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scalar coef = ke_->value(p / oneTd) * NA * mol2kmol;
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// Info << ke_->value(p * 1e21) << endl;
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return coef;
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// return ke_->value(p / 1e-21) * NA * mol2kmol;
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}
|
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||||
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inline void Foam::BolsigTableReactionRate::write(Ostream& os) const
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||||
{
|
||||
}
|
||||
|
||||
|
||||
inline Foam::Ostream& Foam::operator<<
|
||||
(
|
||||
Ostream& os,
|
||||
const BolsigTableReactionRate& arr
|
||||
)
|
||||
{
|
||||
os << token::BEGIN_LIST
|
||||
<< token::END_LIST;
|
||||
return os;
|
||||
}
|
||||
|
||||
|
||||
// ************************************************************************* //
|
||||
|
|
@ -120,8 +120,6 @@ namespace Foam
|
|||
\
|
||||
makeIRReactions(Thermo, ReactionRate) \
|
||||
\
|
||||
makeReaction(Thermo, ElectronIReaction, ReactionRate) \
|
||||
\
|
||||
makeReaction(Thermo, NonEquilibriumReversibleReaction, ReactionRate)
|
||||
|
||||
|
||||
|
|
|
|||
|
|
@ -40,15 +40,26 @@ License
|
|||
#include "SRIFallOffFunction.H"
|
||||
#include "TroeFallOffFunction.H"
|
||||
|
||||
#include "BolsigTableReactionRate.H"
|
||||
#include "BolsigFitReactionRate.H"
|
||||
|
||||
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
|
||||
|
||||
#define makeElectronReactions(Thermo) \
|
||||
\
|
||||
makeReaction(Thermo, ElectronIReaction, ArrheniusReactionRate) \
|
||||
makeReaction(Thermo, ElectronIReaction, BolsigFitReactionRate) \
|
||||
makeReaction(Thermo, ElectronIReaction, BolsigTableReactionRate)
|
||||
|
||||
|
||||
#define makeReactions(Thermo, Reaction) \
|
||||
\
|
||||
defineTemplateTypeNameAndDebug(Reaction, 0); \
|
||||
defineTemplateRunTimeSelectionTable(Reaction, Istream); \
|
||||
defineTemplateRunTimeSelectionTable(Reaction, dictionary); \
|
||||
\
|
||||
makeElectronReactions(Thermo) \
|
||||
\
|
||||
makeIRNReactions(Thermo, ArrheniusReactionRate) \
|
||||
makeIRNReactions(Thermo, infiniteReactionRate) \
|
||||
makeIRNReactions(Thermo, LandauTellerReactionRate) \
|
||||
|
|
|
|||
Loading…
Add table
Reference in a new issue