From 9bc87005ad4be979efef7f8e44685104ef3521d2 Mon Sep 17 00:00:00 2001
From: sergio <sergio>
Date: Fri, 26 May 2017 10:18:01 -0700
Subject: [PATCH] Adding optional build of the thermo tpe per reaction. This
thermo is not necessary for solid reactions. 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
---
.../Reactions/solidReaction/solidReaction.C | 4 +--
.../reaction/Reactions/Reaction/Reaction.C | 28 +++++++++++++------
.../reaction/Reactions/Reaction/Reaction.H | 17 ++++++++---
.../simplePMMApanel/0/panelRegion/{Qr => qr} | 2 +-
.../simplePMMApanel/constant/pyrolysisZones | 2 +-
.../constant/chemistryProperties | 2 +-
.../counterFlowFlame2D/constant/reactions | 9 ++++++
.../constant/thermo.compressibleGas | 23 +++++++++++++++
8 files changed, 69 insertions(+), 18 deletions(-)
rename tutorials/combustion/fireFoam/LES/simplePMMApanel/0/panelRegion/{Qr => qr} (98%)
diff --git a/src/thermophysicalModels/solidSpecie/reaction/Reactions/solidReaction/solidReaction.C b/src/thermophysicalModels/solidSpecie/reaction/Reactions/solidReaction/solidReaction.C
index bffd5f8d2f2..18d2a9367c8 100644
--- a/src/thermophysicalModels/solidSpecie/reaction/Reactions/solidReaction/solidReaction.C
+++ b/src/thermophysicalModels/solidSpecie/reaction/Reactions/solidReaction/solidReaction.C
@@ -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_()
diff --git a/src/thermophysicalModels/specie/reaction/Reactions/Reaction/Reaction.C b/src/thermophysicalModels/specie/reaction/Reactions/Reaction/Reaction.C
index e994ff1dce0..645cc4fc806 100644
--- a/src/thermophysicalModels/specie/reaction/Reactions/Reaction/Reaction.C
+++ b/src/thermophysicalModels/specie/reaction/Reactions/Reaction/Reaction.C
@@ -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);
+ }
}
diff --git a/src/thermophysicalModels/specie/reaction/Reactions/Reaction/Reaction.H b/src/thermophysicalModels/specie/reaction/Reactions/Reaction/Reaction.H
index d96134aac95..7b3b8ea571e 100644
--- a/src/thermophysicalModels/specie/reaction/Reactions/Reaction/Reaction.H
+++ b/src/thermophysicalModels/specie/reaction/Reactions/Reaction/Reaction.H
@@ -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
diff --git a/tutorials/combustion/fireFoam/LES/simplePMMApanel/0/panelRegion/Qr b/tutorials/combustion/fireFoam/LES/simplePMMApanel/0/panelRegion/qr
similarity index 98%
rename from tutorials/combustion/fireFoam/LES/simplePMMApanel/0/panelRegion/Qr
rename to tutorials/combustion/fireFoam/LES/simplePMMApanel/0/panelRegion/qr
index 654cb3ae748..ba9e5916fb1 100644
--- a/tutorials/combustion/fireFoam/LES/simplePMMApanel/0/panelRegion/Qr
+++ b/tutorials/combustion/fireFoam/LES/simplePMMApanel/0/panelRegion/qr
@@ -11,7 +11,7 @@ FoamFile
format ascii;
class volScalarField;
location "0";
- object Qr;
+ object qr;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
diff --git a/tutorials/combustion/fireFoam/LES/simplePMMApanel/constant/pyrolysisZones b/tutorials/combustion/fireFoam/LES/simplePMMApanel/constant/pyrolysisZones
index a099495670d..f5fd1efacc5 100644
--- a/tutorials/combustion/fireFoam/LES/simplePMMApanel/constant/pyrolysisZones
+++ b/tutorials/combustion/fireFoam/LES/simplePMMApanel/constant/pyrolysisZones
@@ -29,7 +29,7 @@ FoamFile
filmCoupled false;
- radFluxName Qr;
+ qrHSource on;
minimumDelta 1e-6;
diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/chemistryProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/chemistryProperties
index 22ec9ceabe4..c22fa78d78a 100644
--- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/chemistryProperties
+++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/chemistryProperties
@@ -33,7 +33,7 @@ EulerImplicitCoeffs
odeCoeffs
{
- solver Rosenbrock43;
+ solver Rosenbrock34;
absTol 1e-12;
relTol 0.01;
}
diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/reactions b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/reactions
index e548bae90ff..842baa512be 100644
--- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/reactions
+++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/reactions
@@ -1,3 +1,12 @@
+elements
+(
+O
+C
+H
+N
+);
+
+
species
(
O2
diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermo.compressibleGas b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermo.compressibleGas
index 371a3bb6c87..4bbb98aa343 100644
--- a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermo.compressibleGas
+++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2D/constant/thermo.compressibleGas
@@ -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;
--
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