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Adding optional build of the thermo tpe per reaction. This thermo is not necessary for solid reactions.

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NOTE: in Reaction.C constructors bool initReactionThermo is used by solidReaction where there is no
need of setting a lhs - rhs thermo type for each reaction. This is needed for mechanism with reversible reactions
This commit is contained in:
sergio
2017-05-26 10:18:01 -07:00
parent 4bc3c5f2ba
commit 9bc87005ad
8 changed files with 69 additions and 18 deletions
Download Patch File Download Diff File Expand all files Collapse all files

4
src/thermophysicalModels/solidSpecie/reaction/Reactions/solidReaction/solidReaction.C
View File

@ -3,7 +3,7 @@
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation
\\/ M anipulation |
\\/ M anipulation | Copyright (C) 2017 OpenCFD Ltd
-------------------------------------------------------------------------------
License
This file is part of OpenFOAM.
@ -67,7 +67,7 @@ Foam::solidReaction<ReactionThermo>::solidReaction
const dictionary& dict
)
:
Reaction<ReactionThermo>(species, thermoDatabase, dict),
Reaction<ReactionThermo>(species, thermoDatabase, dict, false),
pyrolisisGases_(dict.parent().parent().lookup("gaseousSpecies")),
glhs_(),
grhs_()

28
src/thermophysicalModels/specie/reaction/Reactions/Reaction/Reaction.C
View File

@ -3,7 +3,7 @@
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation
\\/ M anipulation |
\\/ M anipulation | Copyright (C) 2017 OpenCFD Ltd
-------------------------------------------------------------------------------
License
This file is part of OpenFOAM.
@ -111,19 +111,20 @@ void Foam::Reaction<ReactionThermo>::setThermo
const HashPtrTable<ReactionThermo>& thermoDatabase
)
{
typename ReactionThermo::thermoType rhsThermo
(
rhs_[0].stoichCoeff
*(*thermoDatabase[species_[rhs_[0].index]]).W()
*(*thermoDatabase[species_[rhs_[0].index]])
*(*thermoDatabase[species_[rhs_[0].index]]).W()
*(*thermoDatabase[species_[rhs_[0].index]])
);
for (label i=1; i<rhs_.size(); ++i)
{
rhsThermo +=
rhs_[i].stoichCoeff
*(*thermoDatabase[species_[rhs_[i].index]]).W()
*(*thermoDatabase[species_[rhs_[i].index]]);
*(*thermoDatabase[species_[rhs_[i].index]]).W()
*(*thermoDatabase[species_[rhs_[i].index]]);
}
typename ReactionThermo::thermoType lhsThermo
@ -154,7 +155,8 @@ Foam::Reaction<ReactionThermo>::Reaction
const speciesTable& species,
const List<specieCoeffs>& lhs,
const List<specieCoeffs>& rhs,
const HashPtrTable<ReactionThermo>& thermoDatabase
const HashPtrTable<ReactionThermo>& thermoDatabase,
bool initReactionThermo
)
:
ReactionThermo::thermoType(*thermoDatabase[species[0]]),
@ -163,7 +165,10 @@ Foam::Reaction<ReactionThermo>::Reaction
lhs_(lhs),
rhs_(rhs)
{
setThermo(thermoDatabase);
if (initReactionThermo)
{
setThermo(thermoDatabase);
}
}
@ -325,7 +330,8 @@ Foam::Reaction<ReactionThermo>::Reaction
(
const speciesTable& species,
const HashPtrTable<ReactionThermo>& thermoDatabase,
const dictionary& dict
const dictionary& dict,
bool initReactionThermo
)
:
ReactionThermo::thermoType(*thermoDatabase[species[0]]),
@ -339,7 +345,11 @@ Foam::Reaction<ReactionThermo>::Reaction
lhs_,
rhs_
);
setThermo(thermoDatabase);
if (initReactionThermo)
{
setThermo(thermoDatabase);
}
}

17
src/thermophysicalModels/specie/reaction/Reactions/Reaction/Reaction.H
View File

@ -3,7 +3,7 @@
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright (C) 2011-2017 OpenFOAM Foundation
\\/ M anipulation |
\\/ M anipulation | Copyright (C) 2017 OpenCFD Ltd.
-------------------------------------------------------------------------------
License
This file is part of OpenFOAM.
@ -186,18 +186,27 @@ public:
const speciesTable& species,
const List<specieCoeffs>& lhs,
const List<specieCoeffs>& rhs,
const HashPtrTable<ReactionThermo>& thermoDatabase
const HashPtrTable<ReactionThermo>& thermoDatabase,
bool initReactionThermo = true
);
//- Construct as copy given new speciesTable
Reaction(const Reaction<ReactionThermo>&, const speciesTable& species);
Reaction
(
const Reaction<ReactionThermo>&,
const speciesTable& species
);
//- Construct from dictionary
// NOTE: initReactionThermo is used by solidReaction where there is no
// need of setting a lhs - rhs thermo type for each reaction. This is
// needed for mechanism with reversible reactions
Reaction
(
const speciesTable& species,
const HashPtrTable<ReactionThermo>& thermoDatabase,
const dictionary& dict
const dictionary& dict,
bool initReactionThermo = true
);
//- Construct and return a clone

2
tutorials/combustion/fireFoam/LES/simplePMMApanel/0/panelRegion/Qr → tutorials/combustion/fireFoam/LES/simplePMMApanel/0/panelRegion/qr
View File

@ -11,7 +11,7 @@ FoamFile
format ascii;
class volScalarField;
location "0";
object Qr;
object qr;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

2
tutorials/combustion/fireFoam/LES/simplePMMApanel/constant/pyrolysisZones
View File

@ -29,7 +29,7 @@ FoamFile
filmCoupled false;
radFluxName Qr;
qrHSource on;
minimumDelta 1e-6;

2
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/chemistryProperties
View File

@ -33,7 +33,7 @@ EulerImplicitCoeffs
odeCoeffs
{
solver Rosenbrock43;
solver Rosenbrock34;
absTol 1e-12;
relTol 0.01;
}

9
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/reactions
View File

@ -1,3 +1,12 @@
elements
(
O
C
H
N
);
species
(
O2

23
tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermo.compressibleGas
View File

@ -21,6 +21,10 @@ O2
{
molWeight 31.9988;
}
elements
{
O 2;
}
thermodynamics
{
Tlow 200;
@ -42,6 +46,11 @@ H2O
{
molWeight 18.0153;
}
elements
{
O 1;
H 2;
}
thermodynamics
{
Tlow 200;
@ -63,6 +72,11 @@ CH4
{
molWeight 16.0428;
}
elements
{
C 1;
H 4;
}
thermodynamics
{
Tlow 200;
@ -84,6 +98,11 @@ CO2
{
molWeight 44.01;
}
elements
{
C 1;
O 2;
}
thermodynamics
{
Tlow 200;
@ -105,6 +124,10 @@ N2
{
molWeight 28.0134;
}
elements
{
N 2;
}
thermodynamics
{
Tlow 200;