multiphaseEulerFoam: Added phaseSurfaceArrhenius reaction
A modified Arrhenius reaction rate given by:
k = (A * T^beta * exp(-Ta/T))*a
Where a is the phase surface area per unit volume. The name of the phase is
specified by the user.
Example usage:
oxidationAtSurface
{
type irreversiblePhaseSurfaceArrhenius;
reaction "O2^0 + TiCl4 = TiO2_s + 2Cl2";
A 4.9e1; // The pre-exponential factor is in units
// equal to that in the usual volumetric
// reaction rate **divided by length**, as
// the Arrhenius expression is taken to give
// rate per unit area, not per unit volume
beta 0.0;
Ta 8993;
phase particles;
}
This reaction has been applied to the titaniaSynthesisSurface tutorial,
which avoids the need for explicit caching of the surface area density
field.
This commit is contained in:
Will Bainbridge
@ -9,6 +9,7 @@ wmake $targetType interfacialModels
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wmake $targetType interfacialCompositionModels
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wmake $targetType multiphaseCompressibleMomentumTransportModels
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wmake $targetType multiphaseThermophysicalTransportModels
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wmake $targetType multiphaseReactions
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multiphaseEulerFoam/Allwmake $targetType $*
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wmake $targetType functionObjects
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@ -18,6 +18,7 @@ EXE_LIBS = \
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-leulerianInterfacialCompositionModels \
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-lmultiphaseMomentumTransportModels \
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-lmultiphaseThermophysicalTransportModels \
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-lmultiphaseReactions \
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-lthermophysicalTransportModels \
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-lfiniteVolume \
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-lfvOptions \
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@ -0,0 +1,3 @@
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phaseSurfaceArrheniusReactionRate/makephaseSurfaceArrheniusReactions.C
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LIB = $(FOAM_LIBBIN)/libmultiphaseReactions
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@ -0,0 +1,15 @@
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EXE_INC = \
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-I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \
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-I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \
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-I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \
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-I$(LIB_SRC)/thermophysicalModels/chemistryModel/lnInclude \
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-I$(LIB_SRC)/finiteVolume/lnInclude \
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-I../phaseSystems/lnInclude
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LIB_LIBS = \
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-lspecie \
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-lfluidThermophysicalModels \
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-lreactionThermophysicalModels \
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-lchemistryModel \
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-lfiniteVolume \
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-lphaseSystem
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@ -0,0 +1,44 @@
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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 | Website: https://openfoam.org
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\\ / A nd | Copyright (C) 2021 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 "makeReaction.H"
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#include "phaseSurfaceArrheniusReactionRate.H"
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#include "forCommonGases.H"
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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namespace Foam
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{
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forCommonGases
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(
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makeGeneralReaction,
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IrreversibleReaction,
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phaseSurfaceArrheniusReactionRate
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)
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}
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// ************************************************************************* //
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@ -0,0 +1,149 @@
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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 | Website: https://openfoam.org
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\\ / A nd | Copyright (C) 2021 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::phaseSurfaceArrheniusReactionRate
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Description
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A modified Arrhenius reaction rate given by:
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k = (A * T^beta * exp(-Ta/T))*a
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Where a is the phase surface area per unit volume. The name of the phase is
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specified by the user.
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SourceFiles
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phaseSurfaceArrheniusReactionRateI.H
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\*---------------------------------------------------------------------------*/
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#ifndef phaseSurfaceArrheniusReactionRate_H
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#define phaseSurfaceArrheniusReactionRate_H
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#include "ArrheniusReactionRate.H"
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#include "speciesTable.H"
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#include "volFields.H"
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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namespace Foam
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{
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// Forward declaration of friend functions and operators
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class phaseSurfaceArrheniusReactionRate;
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Ostream& operator<<(Ostream&, const phaseSurfaceArrheniusReactionRate&);
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/*---------------------------------------------------------------------------*\
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Class phaseSurfaceArrheniusReactionRate Declaration
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\*---------------------------------------------------------------------------*/
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class phaseSurfaceArrheniusReactionRate
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:
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public ArrheniusReactionRate
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{
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// Private Data
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//- Name of the phase
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const word phaseName_;
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//- Reference to the object registry
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const objectRegistry& ob_;
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//- Surface area per unit volume field
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mutable tmp<volScalarField> tA_;
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public:
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// Constructors
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//- Construct from dictionary
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inline phaseSurfaceArrheniusReactionRate
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(
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const speciesTable& species,
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const objectRegistry& ob,
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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 "phaseSurfaceArrhenius";
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}
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//- Pre-evaluation hook
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inline void preEvaluate() const;
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//- Post-evaluation hook
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inline void postEvaluate() const;
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//- Evaluate the rate
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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 label li
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) const;
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//- Evaluate the derivative
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inline scalar ddT
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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 label li
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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 phaseSurfaceArrheniusReactionRate&
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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 "phaseSurfaceArrheniusReactionRateI.H"
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// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
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#endif
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// ************************************************************************* //
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@ -0,0 +1,110 @@
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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 | Website: https://openfoam.org
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\\ / A nd | Copyright (C) 2021 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
|
||||
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
|
||||
(at your option) any later version.
|
||||
|
||||
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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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 "phaseSurfaceArrheniusReactionRate.H"
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#include "phaseSystem.H"
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#include "diameterModel.H"
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// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
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inline Foam::phaseSurfaceArrheniusReactionRate::
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phaseSurfaceArrheniusReactionRate
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(
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const speciesTable& species,
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const objectRegistry& ob,
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const dictionary& dict
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)
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:
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ArrheniusReactionRate(species, dict),
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phaseName_(dict.lookup("phase")),
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ob_(ob),
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tA_(nullptr)
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{}
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// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
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inline void Foam::phaseSurfaceArrheniusReactionRate::preEvaluate() const
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{
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ArrheniusReactionRate::preEvaluate();
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const phaseModel& phase =
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ob_.lookupObject<phaseModel>(IOobject::groupName("alpha", phaseName_));
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tA_ = phase.dPtr()->a();
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}
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inline void Foam::phaseSurfaceArrheniusReactionRate::postEvaluate() const
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{
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ArrheniusReactionRate::postEvaluate();
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tA_.clear();
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}
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inline Foam::scalar Foam::phaseSurfaceArrheniusReactionRate::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 label li
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) const
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{
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return ArrheniusReactionRate::operator()(p, T, c, li)*tA_()[li];
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}
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inline Foam::scalar Foam::phaseSurfaceArrheniusReactionRate::ddT
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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 label li
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) const
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{
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return ArrheniusReactionRate::ddT(p, T, c, li)*tA_()[li];
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}
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inline void Foam::phaseSurfaceArrheniusReactionRate::write(Ostream& os) const
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{
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ArrheniusReactionRate::write(os);
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writeEntry(os, "phase", phaseName_);
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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 phaseSurfaceArrheniusReactionRate& arr
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)
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{
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arr.write(os);
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return os;
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}
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// ************************************************************************* //
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@ -36,10 +36,9 @@ boundaryField
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wall
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{
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type fixedProfile;
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profile table;
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profileCoeffs
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profile
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{
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type tableFile;
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format csv; // Input format
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nHeaderLine 0; // Number of header lines
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refColumn 0; // Reference column index
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@ -36,10 +36,9 @@ boundaryField
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wall
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{
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type fixedProfile;
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profile table;
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profileCoeffs
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profile
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{
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type tableFile;
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format csv; // Input format
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nHeaderLine 0; // Number of header lines
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refColumn 0; // Reference column index
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@ -36,10 +36,9 @@ boundaryField
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wall
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{
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type fixedProfile;
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profile table;
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profileCoeffs
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profile
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{
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type tableFile;
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format csv; // Input format
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nHeaderLine 0; // Number of header lines
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refColumn 0; // Reference column index
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@ -36,10 +36,9 @@ boundaryField
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wall
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{
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type fixedProfile;
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profile table;
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profileCoeffs
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profile
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{
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type tableFile;
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format csv; // Input format
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nHeaderLine 0; // Number of header lines
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refColumn 0; // Reference column index
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@ -78,8 +78,6 @@ particles
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f28{dSph 7.873E-06; value 0.0; kappa 1.5E+10; Df 1.8; alphaC 1;}
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f29{dSph 1.136E-05; value 0.0; kappa 1.5E+10; Df 1.8; alphaC 1;}
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);
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storeA on;
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}
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Sct 1.0;
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@ -40,7 +40,7 @@ reactions
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oxidationAtSurface
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{
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type irreversibleSurfaceArrhenius;
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type irreversiblePhaseSurfaceArrhenius;
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reaction "O2^0 + TiCl4 = TiO2_s + 2Cl2";
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@ -48,7 +48,7 @@ reactions
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beta 0.0;
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Ta 8993;
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a a.particles;
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phase particles;
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}
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}
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Reference in New Issue
Block a user