From 923350fa6efcadc3b3c4387696edd110626d94bf Mon Sep 17 00:00:00 2001
From: Henry Weller <http://cfd.direct>
Date: Sat, 7 Jan 2017 16:29:15 +0000
Subject: [PATCH] TDACChemistryModel: Added support for variable time-step and
LTS in ISAT
MIME-Version: 1.0
Content-Type: text/plain; charset=UTF-8
Content-Transfer-Encoding: 8bit
New reactingFoam tutorial counterFlowFlame2DLTS_GRI_TDAC demonstrates this new
functionality.
Additionally the ISAT table growth algorithm has been further optimized
providing an overall speedup of between 15% and 38% for the tests run so far.
Updates to TDAC and ISAT provided by Francesco Contino.
Implementation updated and integrated into OpenFOAM-dev by
Henry G. Weller, CFD Direct Ltd with the help of Francesco Contino.
Original code providing all algorithms for chemistry reduction and
tabulation contributed by Francesco Contino, Tommaso Lucchini, Gianluca
D’Errico, Hervé Jeanmart, Nicolas Bourgeois and Stéphane Backaert.
---
.../TDACChemistryModel/TDACChemistryModel.C | 97 +-
.../TDACChemistryModel/TDACChemistryModel.H | 29 +-
.../TDACChemistryModel/tabulation/ISAT/ISAT.C | 128 +-
.../TDACChemistryModel/tabulation/ISAT/ISAT.H | 13 +-
.../tabulation/ISAT/binaryNode/binaryNode.C | 54 +-
.../tabulation/ISAT/binaryNode/binaryNode.H | 9 +-
.../tabulation/ISAT/binaryTree/binaryTree.C | 109 +-
.../tabulation/ISAT/binaryTree/binaryTree.H | 4 +-
.../ISAT/chemPointISAT/chemPointISAT.C | 256 +-
.../ISAT/chemPointISAT/chemPointISAT.H | 82 +-
.../chemistryTabulationMethod.C | 5 +-
.../chemistryTabulationMethod.H | 14 +-
.../noChemistryTabulation.H | 7 +-
.../counterFlowFlame2DLTS_GRI_TDAC/0/CH4 | 48 +
.../counterFlowFlame2DLTS_GRI_TDAC/0/CO2 | 48 +
.../counterFlowFlame2DLTS_GRI_TDAC/0/H2O | 48 +
.../counterFlowFlame2DLTS_GRI_TDAC/0/N2 | 48 +
.../counterFlowFlame2DLTS_GRI_TDAC/0/O2 | 47 +
.../counterFlowFlame2DLTS_GRI_TDAC/0/T | 47 +
.../counterFlowFlame2DLTS_GRI_TDAC/0/U | 46 +
.../counterFlowFlame2DLTS_GRI_TDAC/0/Ydefault | 48 +
.../counterFlowFlame2DLTS_GRI_TDAC/0/alphat | 45 +
.../counterFlowFlame2DLTS_GRI_TDAC/0/p | 44 +
.../constant/chemistryProperties | 137 +
.../constant/combustionProperties | 27 +
.../constant/reactions | 28 +
.../constant/reactionsGRI | 5590 +++++++++++++++++
.../constant/thermo.compressibleGas | 152 +
.../constant/thermo.compressibleGasGRI | 1391 ++++
.../constant/thermophysicalProperties | 36 +
.../constant/turbulenceProperties | 21 +
.../system/blockMeshDict | 82 +
.../system/controlDict | 48 +
.../system/decomposeParDict | 29 +
.../system/fvSchemes | 57 +
.../system/fvSolution | 83 +
36 files changed, 8751 insertions(+), 206 deletions(-)
create mode 100644 tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/CH4
create mode 100644 tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/CO2
create mode 100644 tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/H2O
create mode 100644 tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/N2
create mode 100644 tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/O2
create mode 100644 tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/T
create mode 100644 tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/U
create mode 100644 tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/Ydefault
create mode 100644 tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/alphat
create mode 100644 tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/p
create mode 100644 tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/chemistryProperties
create mode 100644 tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/combustionProperties
create mode 100644 tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/reactions
create mode 100644 tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/reactionsGRI
create mode 100644 tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermo.compressibleGas
create mode 100644 tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermo.compressibleGasGRI
create mode 100644 tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermophysicalProperties
create mode 100644 tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/turbulenceProperties
create mode 100644 tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/system/blockMeshDict
create mode 100644 tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/system/controlDict
create mode 100644 tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/system/decomposeParDict
create mode 100644 tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/system/fvSchemes
create mode 100644 tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/system/fvSolution
diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModel.C b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModel.C
index de13a49d01..ec67e628c0 100644
--- a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModel.C
+++ b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModel.C
@@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
- \\ / A nd | Copyright (C) 2016 OpenFOAM Foundation
+ \\ / A nd | Copyright (C) 2016-2017 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@@ -37,12 +37,26 @@ Foam::TDACChemistryModel<CompType, ThermoType>::TDACChemistryModel
)
:
chemistryModel<CompType, ThermoType>(mesh, phaseName),
+ timeSteps_(0),
NsDAC_(this->nSpecie_),
- completeC_(this->nSpecie_,0.0),
+ completeC_(this->nSpecie_, 0),
reactionsDisabled_(this->reactions_.size(), false),
- completeToSimplifiedIndex_(this->nSpecie_,-1),
+ specieComp_(this->nSpecie_),
+ completeToSimplifiedIndex_(this->nSpecie_, -1),
simplifiedToCompleteIndex_(this->nSpecie_),
- specieComp_(this->nSpecie_)
+ tabulationResults_
+ (
+ IOobject
+ (
+ "TabulationResults",
+ this->time().timeName(),
+ this->mesh(),
+ IOobject::NO_READ,
+ IOobject::AUTO_WRITE
+ ),
+ mesh,
+ 0
+ )
{
basicMultiComponentMixture& composition = this->thermo().composition();
@@ -53,7 +67,7 @@ Foam::TDACChemistryModel<CompType, ThermoType>::TDACChemistryModel
dynamicCast<const reactingMixture<ThermoType>&>(this->thermo())
.specieComposition();
- forAll(specieComp_,i)
+ forAll(specieComp_, i)
{
specieComp_[i] = specComp[this->Y()[i].name()];
}
@@ -579,8 +593,13 @@ Foam::scalar Foam::TDACChemistryModel<CompType, ThermoType>::solve
const DeltaTType& deltaT
)
{
+ // Increment counter of time-step
+ timeSteps_++;
+
const bool reduced = mechRed_->active();
+ label nAdditionalEqn = (tabulation_->variableTimeStep() ? 1:0);
+
basicMultiComponentMixture& composition = this->thermo().composition();
// CPU time analysis
@@ -625,9 +644,9 @@ Foam::scalar Foam::TDACChemistryModel<CompType, ThermoType>::solve
scalarField c0(this->nSpecie_);
// Composition vector (Yi, T, p)
- scalarField phiq(this->nEqns());
+ scalarField phiq(this->nEqns() + nAdditionalEqn);
- scalarField Rphiq(this->nEqns());
+ scalarField Rphiq(this->nEqns() + nAdditionalEqn);
forAll(rho, celli)
{
@@ -643,6 +662,11 @@ Foam::scalar Foam::TDACChemistryModel<CompType, ThermoType>::solve
}
phiq[this->nSpecie()]=Ti;
phiq[this->nSpecie()+1]=pi;
+ if (tabulation_->variableTimeStep())
+ {
+ phiq[this->nSpecie()+2] = deltaT[celli];
+ }
+
// Initialise time progress
scalar timeLeft = deltaT[celli];
@@ -668,7 +692,7 @@ Foam::scalar Foam::TDACChemistryModel<CompType, ThermoType>::solve
// This position is reached when tabulation is not used OR
// if the solution is not retrieved.
// In the latter case, it adds the information to the tabulation
- // (it will either expand the current data or add a new stored poin).
+ // (it will either expand the current data or add a new stored point).
else
{
clockTime_.timeIncrement();
@@ -720,12 +744,28 @@ Foam::scalar Foam::TDACChemistryModel<CompType, ThermoType>::solve
{
Rphiq[i] = c[i]/rhoi*this->specieThermo_[i].W();
}
-
- Rphiq[Rphiq.size()-2] = Ti;
- Rphiq[Rphiq.size()-1] = pi;
- tabulation_->add(phiq, Rphiq, rhoi);
+ if (tabulation_->variableTimeStep())
+ {
+ Rphiq[Rphiq.size()-3] = Ti;
+ Rphiq[Rphiq.size()-2] = pi;
+ Rphiq[Rphiq.size()-1] = deltaT[celli];
+ }
+ else
+ {
+ Rphiq[Rphiq.size()-2] = Ti;
+ Rphiq[Rphiq.size()-1] = pi;
+ }
+ label growOrAdd =
+ tabulation_->add(phiq, Rphiq, rhoi, deltaT[celli]);
+ if (growOrAdd)
+ {
+ this->setTabulationResultsAdd(celli);
+ }
+ else
+ {
+ this->setTabulationResultsGrow(celli);
+ }
}
-
addNewLeafCpuTime_ += clockTime_.timeIncrement();
// When operations are done and if mechanism reduction is active,
@@ -840,4 +880,35 @@ Foam::scalar Foam::TDACChemistryModel<CompType, ThermoType>::solve
}
+template<class CompType, class ThermoType>
+void Foam::TDACChemistryModel<CompType, ThermoType>::setTabulationResultsAdd
+(
+ const label celli
+)
+{
+ tabulationResults_[celli] = 0.0;
+}
+
+
+template<class CompType, class ThermoType>
+void Foam::TDACChemistryModel<CompType, ThermoType>::setTabulationResultsGrow
+(
+ const label celli
+)
+{
+ tabulationResults_[celli] = 1.0;
+}
+
+
+template<class CompType, class ThermoType>
+void Foam::TDACChemistryModel<CompType, ThermoType>::
+setTabulationResultsRetrieve
+(
+ const label celli
+)
+{
+ tabulationResults_[celli] = 2.0;
+}
+
+
// ************************************************************************* //
diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModel.H b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModel.H
index 52a8f0860f..fd92c6a641 100644
--- a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModel.H
+++ b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModel.H
@@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
- \\ / A nd | Copyright (C) 2016 OpenFOAM Foundation
+ \\ / A nd | Copyright (C) 2016-2017 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@@ -85,14 +85,16 @@ class TDACChemistryModel
{
// Private member data
+ label timeSteps_;
+
// Mechanism reduction
label NsDAC_;
scalarField completeC_;
scalarField simplifiedC_;
Field<bool> reactionsDisabled_;
+ List<List<specieElement>> specieComp_;
Field<label> completeToSimplifiedIndex_;
DynamicList<label> simplifiedToCompleteIndex_;
- List<List<specieElement>> specieComp_;
autoPtr<chemistryReductionMethod<CompType, ThermoType>> mechRed_;
// Tabulation
@@ -113,6 +115,12 @@ class TDACChemistryModel
//- Log file for average time spent solving the chemistry
autoPtr<OFstream> cpuSolveFile_;
+ // Field containing information about tabulation:
+ // 0 -> add (direct integration)
+ // 1 -> grow
+ // 2 -> retrieve
+ volScalarField tabulationResults_;
+
// Private Member Functions
@@ -151,6 +159,12 @@ public:
// Member Functions
+ inline label timeSteps() const
+ {
+ return timeSteps_;
+ }
+
+
//- Create and return a TDAC log file of the given name
inline autoPtr<OFstream> logFile(const word& name) const;
@@ -256,6 +270,17 @@ public:
inline autoPtr<chemistryReductionMethod<CompType, ThermoType>>&
mechRed();
+
+ tmp<volScalarField> tabulationResults() const
+ {
+ return tabulationResults_;
+ }
+
+ void setTabulationResultsAdd(const label celli);
+
+ void setTabulationResultsGrow(const label celli);
+
+ void setTabulationResultsRetrieve(const label celli);
};
diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/ISAT.C b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/ISAT.C
index cf54307b15..41de9be561 100644
--- a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/ISAT.C
+++ b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/ISAT.C
@@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
- \\ / A nd | Copyright (C) 2016 OpenFOAM Foundation
+ \\ / A nd | Copyright (C) 2016-2017 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@@ -41,16 +41,11 @@ Foam::chemistryTabulationMethods::ISAT<CompType, ThermoType>::ISAT
chemistry
),
chemisTree_(chemistry, this->coeffsDict_),
- scaleFactor_(chemistry.nEqns(), 1.0),
+ scaleFactor_(chemistry.nEqns() + ((this->variableTimeStep()) ? 1 : 0), 1),
runTime_(chemistry.time()),
chPMaxLifeTime_
(
- this->coeffsDict_.lookupOrDefault
- (
- "chPMaxLifeTime",
- (runTime_.endTime().value()-runTime_.startTime().value())
- /runTime_.deltaT().value()
- )
+ this->coeffsDict_.lookupOrDefault("chPMaxLifeTime", INT_MAX)
),
maxGrowth_(this->coeffsDict_.lookupOrDefault("maxGrowth", INT_MAX)),
checkEntireTreeInterval_
@@ -104,6 +99,36 @@ Foam::chemistryTabulationMethods::ISAT<CompType, ThermoType>::ISAT
}
scaleFactor_[Ysize] = readScalar(scaleDict.lookup("Temperature"));
scaleFactor_[Ysize+1] = readScalar(scaleDict.lookup("Pressure"));
+ if (this->variableTimeStep())
+ {
+ scaleFactor_[Ysize + 2] = readScalar(scaleDict.lookup("deltaT"));
+ }
+ else
+ {
+ // When the variableTimeStep option is false, if the application
+ // has variable time step activated, the maximum lifetime of a
+ // chemPoint should be 1 time step.
+ bool adjustTimeStep =
+ runTime_.controlDict().lookupOrDefault("adjustTimeStep", false);
+ if (chPMaxLifeTime_ > 1 && adjustTimeStep)
+ {
+ WarningInFunction
+ << " variableTimeStep is not activate for ISAT while"
+ << " the time step might be adjusted by the application."
+ << nl
+ << " This might lead to errors in the chemistry." << nl
+ << " To avoid this warning either set chPMaxLifeTime to 1"
+ << " or activate variableTimeStep." << endl;
+ }
+ }
+ }
+ if (this->variableTimeStep())
+ {
+ nAdditionalEqns_ = 3;
+ }
+ else
+ {
+ nAdditionalEqns_ = 2;
}
if (this->log())
@@ -190,16 +215,16 @@ void Foam::chemistryTabulationMethods::ISAT<CompType, ThermoType>::calcNewC
scalarField& Rphiq
)
{
- label nEqns = this->chemistry_.nEqns(); // Full set of species
+ label nEqns = this->chemistry_.nEqns(); // Species, T, p
bool mechRedActive = this->chemistry_.mechRed()->active();
Rphiq = phi0->Rphi();
scalarField dphi(phiq-phi0->phi());
const scalarSquareMatrix& gradientsMatrix = phi0->A();
List<label>& completeToSimplified(phi0->completeToSimplifiedIndex());
- // Rphiq[i] = Rphi0[i]+A(i, j)dphi[j]
+ // Rphiq[i]=Rphi0[i]+A(i, j)dphi[j]
// where Aij is dRi/dphi_j
- for (label i=0; i<nEqns-2; i++)
+ for (label i=0; i<nEqns-nAdditionalEqns_; i++)
{
if (mechRedActive)
{
@@ -216,9 +241,18 @@ void Foam::chemistryTabulationMethods::ISAT<CompType, ThermoType>::calcNewC
}
}
Rphiq[i] +=
- gradientsMatrix(si, phi0->nActiveSpecies())*dphi[nEqns-2];
+ gradientsMatrix(si, phi0->nActiveSpecies())*dphi[nEqns - 2];
Rphiq[i] +=
- gradientsMatrix(si, phi0->nActiveSpecies()+1)*dphi[nEqns-1];
+ gradientsMatrix(si, phi0->nActiveSpecies() + 1)
+ *dphi[nEqns - 1];
+
+ if (this->variableTimeStep())
+ {
+ Rphiq[i] +=
+ gradientsMatrix(si, phi0->nActiveSpecies() + 2)
+ *dphi[nEqns];
+ }
+
// As we use an approximation of A, Rphiq should be checked for
// negative values
Rphiq[i] = max(0.0,Rphiq[i]);
@@ -260,10 +294,11 @@ bool Foam::chemistryTabulationMethods::ISAT<CompType, ThermoType>::grow
// Raise a flag when the chemPoint used has been grown more than the
// allowed number of time
- if (!phi0->toRemove() && phi0->nGrowth() > maxGrowth_)
+ if (phi0->nGrowth() > maxGrowth_)
{
cleaningRequired_ = true;
phi0->toRemove() = true;
+ return false;
}
// If the solution RphiQ is still within the tolerance we try to grow it
@@ -294,14 +329,10 @@ Foam::chemistryTabulationMethods::ISAT<CompType, ThermoType>::cleanAndBalance()
{
chemPointISAT<CompType, ThermoType>* xtmp =
chemisTree_.treeSuccessor(x);
- // timeOutputValue returns timeToUserTime(value()), therefore, it should
- // be compare with timeToUserTime(deltaT)
- scalar elapsedTime = runTime_.timeOutputValue() - x->timeTag();
- scalar maxElapsedTime =
- chPMaxLifeTime_
- * runTime_.timeToUserTime(runTime_.deltaTValue());
-
- if ((elapsedTime > maxElapsedTime) || (x->nGrowth() > maxGrowth_))
+
+ scalar elapsedTimeSteps = this->chemistry_.timeSteps() - x->timeTag();
+
+ if ((elapsedTimeSteps > chPMaxLifeTime_) || (x->nGrowth() > maxGrowth_))
{
chemisTree_.deleteLeaf(x);
treeModified = true;
@@ -334,13 +365,13 @@ void Foam::chemistryTabulationMethods::ISAT<CompType, ThermoType>::computeA
(
scalarSquareMatrix& A,
const scalarField& Rphiq,
- const scalar rhoi
+ const scalar rhoi,
+ const scalar dt
)
{
- scalar dt = runTime_.deltaTValue();
bool mechRedActive = this->chemistry_.mechRed()->active();
label speciesNumber = this->chemistry_.nSpecie();
- scalarField Rcq(this->chemistry_.nEqns());
+ scalarField Rcq(this->chemistry_.nEqns() + nAdditionalEqns_ - 2);
for (label i=0; i<speciesNumber; i++)
{
label s2c = i;
@@ -350,8 +381,12 @@ void Foam::chemistryTabulationMethods::ISAT<CompType, ThermoType>::computeA
}
Rcq[i] = rhoi*Rphiq[s2c]/this->chemistry_.specieThermo()[s2c].W();
}
- Rcq[speciesNumber] = Rphiq[Rphiq.size()-2];
- Rcq[speciesNumber+1] = Rphiq[Rphiq.size()-1];
+ Rcq[speciesNumber] = Rphiq[Rphiq.size() - nAdditionalEqns_];
+ Rcq[speciesNumber+1] = Rphiq[Rphiq.size() - nAdditionalEqns_ + 1];
+ if (this->variableTimeStep())
+ {
+ Rcq[speciesNumber + 2] = Rphiq[Rphiq.size() - nAdditionalEqns_ + 2];
+ }
// Aaa is computed implicitely,
// A is given by A = C(psi0, t0+dt), where C is obtained through solving
@@ -399,6 +434,10 @@ void Foam::chemistryTabulationMethods::ISAT<CompType, ThermoType>::computeA
// For temperature and pressure, only unity on the diagonal
A(speciesNumber, speciesNumber) = 1;
A(speciesNumber+1, speciesNumber+1) = 1;
+ if (this->variableTimeStep())
+ {
+ A[speciesNumber + 2][speciesNumber + 2] = 1;
+ }
// Inverse of (I-dt*J(psi(t0+dt)))
LUscalarMatrix LUA(A);
@@ -463,20 +502,18 @@ bool Foam::chemistryTabulationMethods::ISAT<CompType, ThermoType>::retrieve
if (retrieved)
{
- scalar elapsedTime =
- runTime_.timeOutputValue() - phi0->timeTag();
- scalar maxElapsedTime =
- chPMaxLifeTime_
- * runTime_.timeToUserTime(runTime_.deltaTValue());
+ phi0->increaseNumRetrieve();
+ scalar elapsedTimeSteps =
+ this->chemistry_.timeSteps() - phi0->timeTag();
// Raise a flag when the chemPoint has been used more than the allowed
// number of time steps
- if (elapsedTime > maxElapsedTime && !phi0->toRemove())
+ if (elapsedTimeSteps > chPMaxLifeTime_ && !phi0->toRemove())
{
cleaningRequired_ = true;
phi0->toRemove() = true;
}
- lastSearch_->lastTimeUsed() = runTime_.timeOutputValue();
+ lastSearch_->lastTimeUsed() = this->chemistry_.timeSteps();
addToMRU(phi0);
calcNewC(phi0,phiq, Rphiq);
nRetrieved_++;
@@ -492,13 +529,15 @@ bool Foam::chemistryTabulationMethods::ISAT<CompType, ThermoType>::retrieve
template<class CompType, class ThermoType>
-bool Foam::chemistryTabulationMethods::ISAT<CompType, ThermoType>::add
+Foam::label Foam::chemistryTabulationMethods::ISAT<CompType, ThermoType>::add
(
const scalarField& phiq,
const scalarField& Rphiq,
- const scalar rho
+ const scalar rho,
+ const scalar deltaT
)
{
+ label growthOrAddFlag = 1;
// If lastSearch_ holds a valid pointer to a chemPoint AND the growPoints_
// option is on, the code first tries to grow the point hold by lastSearch_
if (lastSearch_ && growPoints_)
@@ -506,13 +545,12 @@ bool Foam::chemistryTabulationMethods::ISAT<CompType, ThermoType>::add
if (grow(lastSearch_,phiq, Rphiq))
{
nGrowth_++;
- // the structure of the tree is not modified, return false
- return false;
+ growthOrAddFlag = 0;
+ //the structure of the tree is not modified, return false
+ return growthOrAddFlag;
}
}
- bool treeCleanedOrCleared(false);
-
// If the code reach this point, it is either because lastSearch_ is not
// valid, OR because growPoints_ is not on, OR because the grow operation
// has failed. In the three cases, a new point is added to the tree.
@@ -567,16 +605,12 @@ bool Foam::chemistryTabulationMethods::ISAT<CompType, ThermoType>::add
// The structure has been changed, it will force the binary tree to
// perform a new search and find the most appropriate point still stored
lastSearch_ = nullptr;
-
- // Either cleanAndBalance has changed the tree or it has been cleared
- // in any case treeCleanedOrCleared should be set to true
- treeCleanedOrCleared = true;
}
// Compute the A matrix needed to store the chemPoint.
- label ASize = this->chemistry_.nEqns(); // Reduced when mechRed is active
+ label ASize = this->chemistry_.nEqns() + nAdditionalEqns_ - 2;
scalarSquareMatrix A(ASize, Zero);
- computeA(A, Rphiq, rho);
+ computeA(A, Rphiq, rho, deltaT);
chemisTree().insertNewLeaf
(
@@ -591,7 +625,7 @@ bool Foam::chemistryTabulationMethods::ISAT<CompType, ThermoType>::add
nAdd_++;
- return treeCleanedOrCleared;
+ return growthOrAddFlag;
}
diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/ISAT.H b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/ISAT.H
index 148f0be225..3a478146d9 100644
--- a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/ISAT.H
+++ b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/ISAT.H
@@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
- \\ / A nd | Copyright (C) 2016 OpenFOAM Foundation
+ \\ / A nd | Copyright (C) 2016-2017 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@@ -112,6 +112,9 @@ class ISAT
bool cleaningRequired_;
+ //- Number of equations in addition to the species eqs.
+ label nAdditionalEqns_;
+
// Private Member Functions
@@ -168,7 +171,8 @@ class ISAT
(
scalarSquareMatrix& A,
const scalarField& Rphiq,
- const scalar rho
+ const scalar rho,
+ const scalar dt
);
@@ -224,11 +228,12 @@ public:
// This function can grow an existing point or add a new leaf to the
// binary tree Input : phiq the new composition to store Rphiq the
// mapping of the new composition point
- virtual bool add
+ virtual label add
(
const scalarField& phiq,
const scalarField& Rphiq,
- const scalar rho
+ const scalar rho,
+ const scalar deltaT
);
virtual bool update()
diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/binaryNode/binaryNode.C b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/binaryNode/binaryNode.C
index 45bf42a4c4..bfb092a737 100644
--- a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/binaryNode/binaryNode.C
+++ b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/binaryNode/binaryNode.C
@@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
- \\ / A nd | Copyright (C) 2016 OpenFOAM Foundation
+ \\ / A nd | Copyright (C) 2016-2017 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@@ -36,8 +36,11 @@ Foam::binaryNode<CompType, ThermoType>::binaryNode
leafRight_(nullptr),
nodeLeft_(nullptr),
nodeRight_(nullptr),
- parent_(nullptr)
-{}
+ parent_(nullptr),
+ variableTimeStep_(false),
+ nAdditionalEqns_(0)
+{
+}
template<class CompType, class ThermoType>
@@ -53,8 +56,18 @@ Foam::binaryNode<CompType, ThermoType>::binaryNode
nodeLeft_(nullptr),
nodeRight_(nullptr),
parent_(parent),
- v_(elementLeft->completeSpaceSize(),0.0)
+ variableTimeStep_(elementLeft->variableTimeStep()),
+ v_(elementLeft->completeSpaceSize(), 0)
{
+ if (this->variableTimeStep_)
+ {
+ nAdditionalEqns_ = 3;
+ }
+ else
+ {
+ nAdditionalEqns_ = 2;
+ }
+
calcV(elementLeft, elementRight, v_);
a_ = calcA(elementLeft, elementRight);
}
@@ -70,9 +83,22 @@ Foam::binaryNode<CompType, ThermoType>::binaryNode
nodeLeft_(bn->nodeLeft()),
nodeRight_(bn->nodeRight()),
parent_(bn->parent()),
+ variableTimeStep_
+ (
+ this->coeffsDict_.lookupOrDefault("variableTimeStep", false)
+ ),
v_(bn->v()),
a_(bn->a())
-{}
+{
+ if (this->variableTimeStep_)
+ {
+ nAdditionalEqns_ = 3;
+ }
+ else
+ {
+ nAdditionalEqns_ = 2;
+ }
+}
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
@@ -102,7 +128,7 @@ Foam::binaryNode<CompType, ThermoType>::calcV
bool outOfIndexI = true;
if (mechReductionActive)
{
- if (i<elementLeft->completeSpaceSize()-2)
+ if (i<elementLeft->completeSpaceSize() - nAdditionalEqns_)
{
si = elementLeft->completeToSimplifiedIndex()[i];
outOfIndexI = (si==-1);
@@ -110,8 +136,9 @@ Foam::binaryNode<CompType, ThermoType>::calcV
else// temperature and pressure
{
outOfIndexI = false;
- label dif = i-(elementLeft->completeSpaceSize()-2);
- si = elementLeft->nActiveSpecies()+dif;
+ const label dif =
+ i - (elementLeft->completeSpaceSize() - nAdditionalEqns_);
+ si = elementLeft->nActiveSpecies() + dif;
}
}
if (!mechReductionActive || (mechReductionActive && !(outOfIndexI)))
@@ -123,7 +150,7 @@ Foam::binaryNode<CompType, ThermoType>::calcV
bool outOfIndexJ = true;
if (mechReductionActive)
{
- if (j<elementLeft->completeSpaceSize()-2)
+ if (j < elementLeft->completeSpaceSize() - nAdditionalEqns_)
{
sj = elementLeft->completeToSimplifiedIndex()[j];
outOfIndexJ = (sj==-1);
@@ -131,8 +158,13 @@ Foam::binaryNode<CompType, ThermoType>::calcV
else
{
outOfIndexJ = false;
- label dif = j-(elementLeft->completeSpaceSize()-2);
- sj = elementLeft->nActiveSpecies()+dif;
+ const label dif =
+ j
+ - (
+ elementLeft->completeSpaceSize()
+ - nAdditionalEqns_
+ );
+ sj = elementLeft->nActiveSpecies() + dif;
}
}
if
diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/binaryNode/binaryNode.H b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/binaryNode/binaryNode.H
index d747054edd..4b23e805d7 100644
--- a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/binaryNode/binaryNode.H
+++ b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/binaryNode/binaryNode.H
@@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
- \\ / A nd | Copyright (C) 2016 OpenFOAM Foundation
+ \\ / A nd | Copyright (C) 2016-2017 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@@ -67,7 +67,14 @@ public:
//- Parent node
binaryNode<CompType, ThermoType>* parent_;
+ //- Switch to allow variable time step (off by default)
+ bool variableTimeStep_;
+
+ //- Number of equations in addition to the species eqs.
+ label nAdditionalEqns_;
+
scalarField v_;
+
scalar a_;
//- Compute vector v:
diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/binaryTree/binaryTree.C b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/binaryTree/binaryTree.C
index 7ed6495991..a0332db462 100644
--- a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/binaryTree/binaryTree.C
+++ b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/binaryTree/binaryTree.C
@@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
- \\ / A nd | Copyright (C) 2016 OpenFOAM Foundation
+ \\ / A nd | Copyright (C) 2016-2017 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@@ -66,7 +66,7 @@ bool Foam::binaryTree<CompType, ThermoType>::inSubTree
{
if ((n2ndSearch_ < max2ndSearch_) && (y!=nullptr))
{
- scalar vPhi=0.0;
+ scalar vPhi = 0;
const scalarField& v = y->v();
const scalar a = y->a();
// compute v*phi
@@ -74,18 +74,18 @@ bool Foam::binaryTree<CompType, ThermoType>::inSubTree
{
vPhi += phiq[i]*v[i];
}
- if (vPhi<=a)// on the left side of the node
+ if (vPhi <= a)// on the left side of the node
{
if (y->nodeLeft() == nullptr)// left is a chemPoint
{
n2ndSearch_++;
if (y->leafLeft()->inEOA(phiq))
{
- x=y->leafLeft();
+ x = y->leafLeft();
return true;
}
}
- else// the left side is a node
+ else // the left side is a node
{
if (inSubTree(phiq, y->nodeLeft(),x))
{
@@ -100,16 +100,16 @@ bool Foam::binaryTree<CompType, ThermoType>::inSubTree
// we reach the end of the subTree we can return the result
if (y->leafRight()->inEOA(phiq))
{
- x=y->leafRight();
+ x = y->leafRight();
return true;
}
else
{
- x=nullptr;
+ x = nullptr;
return false;
}
}
- else// test for n2ndSearch is done in the call of inSubTree
+ else // test for n2ndSearch is done in the call of inSubTree
{
return inSubTree(phiq, y->nodeRight(),x);
}
@@ -124,11 +124,11 @@ bool Foam::binaryTree<CompType, ThermoType>::inSubTree
return true;
}
}
- else// the right side is a node
+ else // the right side is a node
{
if (inSubTree(phiq, y->nodeRight(),x))
{
- x=y->leafRight();
+ x = y->leafRight();
return true;
}
}
@@ -139,12 +139,12 @@ bool Foam::binaryTree<CompType, ThermoType>::inSubTree
n2ndSearch_++;
if (y->leafLeft()->inEOA(phiq))
{
- x=y->leafLeft();
+ x = y->leafLeft();
return true;
}
else
{
- x=nullptr;
+ x = nullptr;
return false;
}
}
@@ -216,7 +216,7 @@ template<class CompType, class ThermoType>
Foam::chemPointISAT<CompType, ThermoType>*
Foam::binaryTree<CompType, ThermoType>::chemPSibling(bn* y)
{
- if (y->parent()!=nullptr)
+ if (y->parent() != nullptr)
{
if (y == y->parent()->nodeLeft())// y is on the left, return right side
{
@@ -235,6 +235,7 @@ Foam::binaryTree<CompType, ThermoType>::chemPSibling(bn* y)
return nullptr;
}
}
+
// the binaryNode is root_ and has no sibling
return nullptr;
}
@@ -367,7 +368,9 @@ Foam::label Foam::binaryTree<CompType, ThermoType>::depth(bn* subTreeRoot)
}
else
{
- return 1+max
+ return
+ 1
+ + max
(
depth(subTreeRoot->nodeLeft()),
depth(subTreeRoot->nodeRight())
@@ -379,14 +382,14 @@ Foam::label Foam::binaryTree<CompType, ThermoType>::depth(bn* subTreeRoot)
template<class CompType, class ThermoType>
void Foam::binaryTree<CompType, ThermoType>::insertNewLeaf
(
- const scalarField& phiq,
- const scalarField& Rphiq,
- const scalarSquareMatrix& A,
- const scalarField& scaleFactor,
- const scalar& epsTol,
- const label nCols,
- chP*& phi0
- )
+ const scalarField& phiq,
+ const scalarField& Rphiq,
+ const scalarSquareMatrix& A,
+ const scalarField& scaleFactor,
+ const scalar& epsTol,
+ const label nCols,
+ chP*& phi0
+)
{
if (size_ == 0) // no points are stored
{
@@ -452,7 +455,7 @@ void Foam::binaryTree<CompType, ThermoType>::insertNewLeaf
root_ = newNode;
}
- phi0->node()=newNode;
+ phi0->node() = newNode;
newChemPoint->node()=newNode;
}
size_++;
@@ -530,7 +533,7 @@ bool Foam::binaryTree<CompType, ThermoType>::secondaryBTSearch
n2ndSearch_++;
if (xS->inEOA(phiq))
{
- x=xS;
+ x = xS;
return true;
}
}
@@ -557,7 +560,7 @@ bool Foam::binaryTree<CompType, ThermoType>::secondaryBTSearch
{
return true;
}
- y=y->parent();
+ y = y->parent();
}
// if we reach this point it is either because
// we did not find another covering EOA in the entire tree or
@@ -574,7 +577,6 @@ bool Foam::binaryTree<CompType, ThermoType>::secondaryBTSearch
template<class CompType, class ThermoType>
void Foam::binaryTree<CompType, ThermoType>::deleteLeaf(chP*& phi0)
{
-
if (size_ == 1) // only one point is stored
{
deleteDemandDrivenData(phi0);
@@ -595,7 +597,7 @@ void Foam::binaryTree<CompType, ThermoType>::deleteLeaf(chP*& phi0)
root_->leafLeft()=siblingPhi0;
siblingPhi0->node()=root_;
}
- else if (z==z->parent()->nodeLeft())
+ else if (z == z->parent()->nodeLeft())
{
z->parent()->leafLeft() = siblingPhi0;
z->parent()->nodeLeft() = nullptr;
@@ -642,16 +644,16 @@ void Foam::binaryTree<CompType, ThermoType>::balance()
//1) walk through the entire tree by starting with the tree's most left
// chemPoint
- chP* x=treeMin();
+ chP* x = treeMin();
List<chP*> chemPoints(size_);
label chPi=0;
//2) compute the mean composition
- while(x!=nullptr)
+ while (x != nullptr)
{
const scalarField& phij = x->phi();
mean += phij;
chemPoints[chPi++] = x;
- x=treeSuccessor(x);
+ x = treeSuccessor(x);
}
mean /= size_;
@@ -691,15 +693,15 @@ void Foam::binaryTree<CompType, ThermoType>::balance()
phiMaxDir.sort();
// delete reference to all node since the tree is reshaped
deleteAllNode();
- root_=nullptr;
+ root_ = nullptr;
// add the node for the two extremum
bn* newNode = new bn
- (
- chemPoints[phiMaxDir.indices()[0]],
- chemPoints[phiMaxDir.indices()[phiMaxDir.size()-1]],
- nullptr
- );
+ (
+ chemPoints[phiMaxDir.indices()[0]],
+ chemPoints[phiMaxDir.indices()[phiMaxDir.size()-1]],
+ nullptr
+ );
root_ = newNode;
chemPoints[phiMaxDir.indices()[0]]->node() = newNode;
@@ -719,8 +721,8 @@ void Foam::binaryTree<CompType, ThermoType>::balance()
new bn(phi0,chemPoints[phiMaxDir.indices()[cpi]], phi0->node());
// make the parent of phi0 point to the newly created node
insertNode(phi0, nodeToAdd);
- phi0->node()=nodeToAdd;
- chemPoints[phiMaxDir.indices()[cpi]]->node()=nodeToAdd;
+ phi0->node() = nodeToAdd;
+ chemPoints[phiMaxDir.indices()[cpi]]->node() = nodeToAdd;
}
}
@@ -800,14 +802,14 @@ Foam::binaryTree<CompType, ThermoType>::treeSuccessor(chP* x)
template<class CompType, class ThermoType>
void Foam::binaryTree<CompType, ThermoType>::clear()
{
- // recursively delete the element in the subTree
+ // Recursively delete the element in the subTree
deleteSubTree();
- // reset root node (should already be nullptr)
- root_=nullptr;
+ // Reset root node (should already be nullptr)
+ root_ = nullptr;
- // reset size_
- size_=0;
+ // Reset size_
+ size_ = 0;
}
@@ -818,4 +820,25 @@ bool Foam::binaryTree<CompType, ThermoType>::isFull()
}
+template<class CompType, class ThermoType>
+void Foam::binaryTree<CompType, ThermoType>::resetNumRetrieve()
+{
+ // Has to go along each chP of the tree
+ if (size_ > 0)
+ {
+ // First finds the first leaf
+ chP* chP0 = treeMin();
+ chP0->resetNumRetrieve();
+
+ // Then go to each successor
+ chP* nextChP = treeSuccessor(chP0);
+ while (nextChP != nullptr)
+ {
+ nextChP->resetNumRetrieve();
+ nextChP = treeSuccessor(nextChP);
+ }
+ }
+}
+
+
// ************************************************************************* //
diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/binaryTree/binaryTree.H b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/binaryTree/binaryTree.H
index a2d267733e..9d4275d992 100644
--- a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/binaryTree/binaryTree.H
+++ b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/binaryTree/binaryTree.H
@@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
- \\ / A nd | Copyright (C) 2016 OpenFOAM Foundation
+ \\ / A nd | Copyright (C) 2016-2017 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@@ -230,6 +230,8 @@ public:
//- ListFull
bool isFull();
+
+ void resetNumRetrieve();
};
diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/chemPointISAT/chemPointISAT.C b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/chemPointISAT/chemPointISAT.C
index 584ecf2d63..ecc212e1eb 100644
--- a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/chemPointISAT/chemPointISAT.C
+++ b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/chemPointISAT/chemPointISAT.C
@@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
- \\ / A nd | Copyright (C) 2016 OpenFOAM Foundation
+ \\ / A nd | Copyright (C) 2016-2017 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@@ -33,7 +33,6 @@ License
template<class CompType, class ThermoType>
Foam::scalar Foam::chemPointISAT<CompType, ThermoType>::tolerance_;
-
// * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * * //
template<class CompType, class ThermoType>
@@ -75,7 +74,7 @@ void Foam::chemPointISAT<CompType, ThermoType>::qrDecompose
d[k] = -scale*sigma;
for (label j=k+1; j<nCols; j++)
{
- sum=0;
+ sum = 0;
for ( label i=k; i<nCols; i++)
{
sum += R(i, k)*R(i, j);
@@ -137,11 +136,11 @@ void Foam::chemPointISAT<CompType, ThermoType>::qrUpdate
}
else if (mag(w[i]) > mag(w[i+1]))
{
- w[i] = mag(w[i])*sqrt(1 + sqr(w[i+1]/w[i]));
+ w[i] = mag(w[i])*sqrt(1.0 + sqr(w[i+1]/w[i]));
}
else
{
- w[i] = mag(w[i+1])*sqrt(1 + sqr(w[i]/w[i+1]));
+ w[i] = mag(w[i+1])*sqrt(1.0 + sqr(w[i]/w[i+1]));
}
}
@@ -171,18 +170,18 @@ void Foam::chemPointISAT<CompType, ThermoType>::rotate
if (a == 0)
{
c = 0;
- s = (b >= 0 ? 1.0 : -1.0);
+ s = (b >= 0 ? 1 : -1);
}
else if (mag(a) > mag(b))
{
fact = b/a;
- c = sign(a)/sqrt(1 + sqr(fact));
+ c = sign(a)/sqrt(1.0 + sqr(fact));
s = fact*c;
}
else
{
fact = a/b;
- s = sign(b)/sqrt(1 + sqr(fact));
+ s = sign(b)/sqrt(1.0 + sqr(fact));
c = fact*s;
}
for (label j=i;j<n;j++)
@@ -220,20 +219,43 @@ Foam::chemPointISAT<CompType, ThermoType>::chemPointISAT
completeSpaceSize_(completeSpaceSize),
nGrowth_(0),
nActiveSpecies_(chemistry.mechRed()->NsSimp()),
- completeToSimplifiedIndex_(completeSpaceSize-2),
simplifiedToCompleteIndex_(nActiveSpecies_),
- timeTag_(chemistry_.time().timeOutputValue()),
- lastTimeUsed_(chemistry_.time().timeOutputValue()),
+ timeTag_(chemistry_.timeSteps()),
+ lastTimeUsed_(chemistry_.timeSteps()),
toRemove_(false),
maxNumNewDim_(coeffsDict.lookupOrDefault("maxNumNewDim",0)),
- printProportion_(coeffsDict.lookupOrDefault("printProportion",false))
+ printProportion_(coeffsDict.lookupOrDefault("printProportion",false)),
+ numRetrieve_(0),
+ nLifeTime_(0),
+ variableTimeStep_
+ (
+ coeffsDict.lookupOrDefault("variableTimeStep", false)
+ ),
+ completeToSimplifiedIndex_
+ (
+ completeSpaceSize - (2 + (variableTimeStep_ == 1 ? 1 : 0))
+ )
{
tolerance_=tolerance;
+ if (this->variableTimeStep_)
+ {
+ nAdditionalEqns_ = 3;
+ iddeltaT_ = completeSpaceSize - 1;
+ scaleFactor_[iddeltaT_] *= phi_[iddeltaT_] / tolerance_;
+ }
+ else
+ {
+ nAdditionalEqns_ = 2;
+ iddeltaT_ = completeSpaceSize; // will not be used
+ }
+ idT_ = completeSpaceSize - nAdditionalEqns_;
+ idp_ = completeSpaceSize - nAdditionalEqns_ + 1;
+
bool isMechRedActive = chemistry_.mechRed()->active();
if (isMechRedActive)
{
- for (label i=0; i<completeSpaceSize-2; i++)
+ for (label i=0; i<completeSpaceSize-nAdditionalEqns_; i++)
{
completeToSimplifiedIndex_[i] =
chemistry.completeToSimplifiedIndex()[i];
@@ -248,7 +270,7 @@ Foam::chemPointISAT<CompType, ThermoType>::chemPointISAT
label reduOrCompDim = completeSpaceSize;
if (isMechRedActive)
{
- reduOrCompDim = nActiveSpecies_ + 2;
+ reduOrCompDim = nActiveSpecies_+nAdditionalEqns_;
}
// SVD decomposition A = U*D*V^T
@@ -313,14 +335,32 @@ Foam::chemPointISAT<CompType, ThermoType>::chemPointISAT
completeSpaceSize_(p.completeSpaceSize()),
nGrowth_(p.nGrowth()),
nActiveSpecies_(p.nActiveSpecies()),
- completeToSimplifiedIndex_(p.completeToSimplifiedIndex()),
simplifiedToCompleteIndex_(p.simplifiedToCompleteIndex()),
timeTag_(p.timeTag()),
lastTimeUsed_(p.lastTimeUsed()),
toRemove_(p.toRemove()),
- maxNumNewDim_(p.maxNumNewDim())
+ maxNumNewDim_(p.maxNumNewDim()),
+ numRetrieve_(0),
+ nLifeTime_(0),
+ variableTimeStep_(p.variableTimeStep()),
+ completeToSimplifiedIndex_(p.completeToSimplifiedIndex())
{
- tolerance_ = p.tolerance();
+ tolerance_ = p.tolerance();
+
+ if (this->variableTimeStep_)
+ {
+ nAdditionalEqns_ = 3;
+ idT_ = completeSpaceSize() - 3;
+ idp_ = completeSpaceSize() - 2;
+ iddeltaT_ = completeSpaceSize() - 1;
+ }
+ else
+ {
+ nAdditionalEqns_ = 2;
+ idT_ = completeSpaceSize() - 2;
+ idp_ = completeSpaceSize() - 1;
+ iddeltaT_ = completeSpaceSize(); // will not be used
+ }
}
@@ -331,11 +371,20 @@ bool Foam::chemPointISAT<CompType, ThermoType>::inEOA(const scalarField& phiq)
{
scalarField dphi(phiq-phi());
bool isMechRedActive = chemistry_.mechRed()->active();
- label dim = (isMechRedActive) ? nActiveSpecies_ : completeSpaceSize()-2;
- scalar epsTemp=0;
+ label dim(0);
+ if (isMechRedActive)
+ {
+ dim = nActiveSpecies_;
+ }
+ else
+ {
+ dim = completeSpaceSize() - nAdditionalEqns_;
+ }
+
+ scalar epsTemp = 0;
List<scalar> propEps(completeSpaceSize(), scalar(0));
- for (label i=0; i<completeSpaceSize()-2; i++)
+ for (label i=0; i<completeSpaceSize()-nAdditionalEqns_; i++)
{
scalar temp = 0;
@@ -356,8 +405,12 @@ bool Foam::chemPointISAT<CompType, ThermoType>::inEOA(const scalarField& phiq)
temp += LT_(si, j)*dphi[sj];
}
- temp += LT_(si, nActiveSpecies_)*dphi[completeSpaceSize()-2];
- temp += LT_(si, nActiveSpecies_+1)*dphi[completeSpaceSize()-1];
+ temp += LT_(si, dim)*dphi[idT_];
+ temp += LT_(si, dim+1)*dphi[idp_];
+ if (variableTimeStep_)
+ {
+ temp += LT_(si, dim+2)*dphi[iddeltaT_];
+ }
}
else
{
@@ -373,28 +426,65 @@ bool Foam::chemPointISAT<CompType, ThermoType>::inEOA(const scalarField& phiq)
}
// Temperature
- epsTemp +=
- sqr
- (
- LT_(dim, dim)*dphi[completeSpaceSize()-2]
- +LT_(dim, dim+1)*dphi[completeSpaceSize()-1]
- );
+ if (variableTimeStep_)
+ {
+ epsTemp +=
+ sqr
+ (
+ LT_(dim, dim)*dphi[idT_]
+ +LT_(dim, dim+1)*dphi[idp_]
+ +LT_(dim, dim+2)*dphi[iddeltaT_]
+ );
+ }
+ else
+ {
+ epsTemp +=
+ sqr
+ (
+ LT_(dim, dim)*dphi[idT_]
+ +LT_(dim, dim+1)*dphi[idp_]
+ );
+ }
// Pressure
- epsTemp += sqr(LT_(dim+1, dim+1)*dphi[completeSpaceSize()-1]);
+ if (variableTimeStep_)
+ {
+ epsTemp +=
+ sqr
+ (
+ LT_(dim+1, dim+1)*dphi[idp_]
+ +LT_(dim+1, dim+2)*dphi[iddeltaT_]
+ );
+ }
+ else
+ {
+ epsTemp += sqr(LT_(dim+1, dim+1)*dphi[idp_]);
+ }
+
+ if (variableTimeStep_)
+ {
+ epsTemp += sqr(LT_[dim+2][dim+2]*dphi[iddeltaT_]);
+ }
if (printProportion_)
{
- propEps[completeSpaceSize()-2] =
- sqr
+ propEps[idT_] = sqr
(
- LT_(dim, dim)*dphi[completeSpaceSize()-2]
- + LT_(dim, dim+1)*dphi[completeSpaceSize()-1]
+ LT_(dim, dim)*dphi[idT_]
+ + LT_(dim, dim+1)*dphi[idp_]
);
- propEps[completeSpaceSize()-1] =
- sqr(LT_(dim+1, dim+1)*dphi[completeSpaceSize()-1]);
+ propEps[idp_] =
+ sqr(LT_(dim+1, dim+1)*dphi[idp_]);
+
+ if (variableTimeStep_)
+ {
+ propEps[iddeltaT_] =
+ sqr(LT_[dim+2][dim+2]*dphi[iddeltaT_]);
+ }
+
}
+
if (sqrt(epsTemp) > 1 + tolerance_)
{
if (printProportion_)
@@ -410,16 +500,20 @@ bool Foam::chemPointISAT<CompType, ThermoType>::inEOA(const scalarField& phiq)
}
}
word propName;
- if (maxIndex >= completeSpaceSize()-2)
+ if (maxIndex >= completeSpaceSize() - nAdditionalEqns_)
{
- if(maxIndex == completeSpaceSize()-2)
+ if (maxIndex == idT_)
{
propName = "T";
}
- else if(maxIndex == completeSpaceSize()-1)
+ else if (maxIndex == idp_)
{
propName = "p";
}
+ else if (maxIndex == iddeltaT_)
+ {
+ propName = "deltaT";
+ }
}
else
{
@@ -461,7 +555,7 @@ bool Foam::chemPointISAT<CompType, ThermoType>::checkSolution
// Since we build only the solution for the species, T and p are not
// included
- for (label i=0; i<completeSpaceSize()-2; i++)
+ for (label i=0; i<completeSpaceSize()-nAdditionalEqns_; i++)
{
dRl = 0;
if (isMechRedActive)
@@ -476,8 +570,12 @@ bool Foam::chemPointISAT<CompType, ThermoType>::checkSolution
label sj=simplifiedToCompleteIndex_[j];
dRl += Avar(si, j)*dphi[sj];
}
- dRl += Avar(si, nActiveSpecies_)*dphi[completeSpaceSize()-2];
- dRl += Avar(si, nActiveSpecies_+1)*dphi[completeSpaceSize()-1];
+ dRl += Avar(si, nActiveSpecies_)*dphi[idT_];
+ dRl += Avar(si, nActiveSpecies_+1)*dphi[idp_];
+ if (variableTimeStep_)
+ {
+ dRl += Avar(si, nActiveSpecies_+2)*dphi[iddeltaT_];
+ }
}
else
{
@@ -522,7 +620,7 @@ bool Foam::chemPointISAT<CompType, ThermoType>::grow(const scalarField& phiq)
// check if the difference of active species is lower than the maximum
// number of new dimensions allowed
- for (label i=0; i<completeSpaceSize()-2; i++)
+ for (label i=0; i<completeSpaceSize()-nAdditionalEqns_; i++)
{
// first test if the current chemPoint has an inactive species
// corresponding to an active one in the query point
@@ -588,8 +686,8 @@ bool Foam::chemPointISAT<CompType, ThermoType>::grow(const scalarField& phiq)
{
scalarSquareMatrix LTvar = LT_; // take a copy of LT_
scalarSquareMatrix Avar = A_; // take a copy of A_
- LT_ = scalarSquareMatrix(nActiveSpecies_+2, Zero);
- A_ = scalarSquareMatrix(nActiveSpecies_+2, Zero);
+ LT_ = scalarSquareMatrix(nActiveSpecies_+nAdditionalEqns_, Zero);
+ A_ = scalarSquareMatrix(nActiveSpecies_+nAdditionalEqns_, Zero);
// write the initial active species
for (label i=0; i<initNActiveSpecies; i++)
@@ -621,6 +719,13 @@ bool Foam::chemPointISAT<CompType, ThermoType>::grow(const scalarField& phiq)
LTvar(initNActiveSpecies+1, initNActiveSpecies+1);
A_(nActiveSpecies_+1, nActiveSpecies_+1)=
Avar(initNActiveSpecies+1, initNActiveSpecies+1);
+ if (variableTimeStep_)
+ {
+ LT_(nActiveSpecies_+2, nActiveSpecies_+2)=
+ LTvar(initNActiveSpecies+2, initNActiveSpecies+2);
+ A_(nActiveSpecies_+2, nActiveSpecies_+2)=
+ Avar(initNActiveSpecies+2, initNActiveSpecies+2);
+ }
for (label i=initNActiveSpecies; i<nActiveSpecies_;i++)
{
@@ -631,7 +736,7 @@ bool Foam::chemPointISAT<CompType, ThermoType>::grow(const scalarField& phiq)
}
}
- dim = nActiveSpecies_ + 2;
+ dim = nActiveSpecies_ + nAdditionalEqns_;
}
// beginning of grow algorithm
@@ -641,7 +746,7 @@ bool Foam::chemPointISAT<CompType, ThermoType>::grow(const scalarField& phiq)
for (label i=0; i<dim; i++)
{
- for (label j=i; j<dim-2; j++)// LT is upper triangular
+ for (label j=i; j<dim-nAdditionalEqns_; j++)// LT is upper triangular
{
label sj = j;
if (isMechRedActive)
@@ -650,8 +755,12 @@ bool Foam::chemPointISAT<CompType, ThermoType>::grow(const scalarField& phiq)
}
phiTilde[i] += LT_(i, j)*dphi[sj];
}
- phiTilde[i] += LT_(i, dim-2)*dphi[completeSpaceSize()-2];
- phiTilde[i] += LT_(i, dim-1)*dphi[completeSpaceSize()-1];
+ phiTilde[i] += LT_(i, dim-nAdditionalEqns_)*dphi[idT_];
+ phiTilde[i] += LT_(i, dim-nAdditionalEqns_+1)*dphi[idp_];
+ if (variableTimeStep_)
+ {
+ phiTilde[i] += LT_(i, dim-nAdditionalEqns_ + 2)*dphi[iddeltaT_];
+ }
normPhiTilde += sqr(phiTilde[i]);
}
@@ -678,4 +787,55 @@ bool Foam::chemPointISAT<CompType, ThermoType>::grow(const scalarField& phiq)
}
+template<class CompType, class ThermoType>
+void Foam::chemPointISAT<CompType, ThermoType>::increaseNumRetrieve()
+{
+ this->numRetrieve_++;
+}
+
+
+template<class CompType, class ThermoType>
+void Foam::chemPointISAT<CompType, ThermoType>::resetNumRetrieve()
+{
+ this->numRetrieve_ = 0;
+}
+
+
+template<class CompType, class ThermoType>
+void Foam::chemPointISAT<CompType, ThermoType>::increaseNLifeTime()
+{
+ this->nLifeTime_++;
+}
+
+
+template<class CompType, class ThermoType>
+Foam::label Foam::chemPointISAT<CompType, ThermoType>::
+simplifiedToCompleteIndex
+(
+ const label i
+)
+{
+ if (i < nActiveSpecies_)
+ {
+ return simplifiedToCompleteIndex_[i];
+ }
+ else if (i == nActiveSpecies_)
+ {
+ return completeSpaceSize_-nAdditionalEqns_;
+ }
+ else if (i == nActiveSpecies_ + 1)
+ {
+ return completeSpaceSize_-nAdditionalEqns_ + 1;
+ }
+ else if (variableTimeStep_ && (i == nActiveSpecies_ + 2))
+ {
+ return completeSpaceSize_-nAdditionalEqns_ + 2;
+ }
+ else
+ {
+ return -1;
+ }
+}
+
+
// ************************************************************************* //
diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/chemPointISAT/chemPointISAT.H b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/chemPointISAT/chemPointISAT.H
index f1cff9013d..cae8ea213b 100644
--- a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/chemPointISAT/chemPointISAT.H
+++ b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/chemPointISAT/chemPointISAT.H
@@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
- \\ / A nd | Copyright (C) 2016 OpenFOAM Foundation
+ \\ / A nd | Copyright (C) 2016-2017 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@@ -146,6 +146,7 @@ class chemPointISAT
TDACChemistryModel<CompType, ThermoType>& chemistry_;
//- Vector storing the composition, temperature and pressure
+ // and deltaT if a variable time step is set on
scalarField phi_;
//- Vector storing the mapping of the composition phi
@@ -176,14 +177,12 @@ class chemPointISAT
//- Number of active species stored in the chemPoint
label nActiveSpecies_;
-
- // Vectors that store the index conversion between the simplified
- // and the complete chemical mechanism
- List<label> completeToSimplifiedIndex_;
+ //- Vectors that store the index conversion between the simplified
+ // and the complete chemical mechanism
List<label> simplifiedToCompleteIndex_;
- scalar timeTag_;
- scalar lastTimeUsed_;
+ label timeTag_;
+ label lastTimeUsed_;
bool toRemove_;
@@ -191,6 +190,26 @@ class chemPointISAT
Switch printProportion_;
+ //- Variable to store the number of retrieves the chemPoint
+ // will generate at each time step
+ label numRetrieve_;
+
+ //- Variable to store the number of time steps the chempoint is allowed
+ // to still live according to the maxChPLifeTime_ parameter
+ label nLifeTime_;
+
+ //- Switch to allow variable time step (off by default)
+ Switch variableTimeStep_;
+
+ List<label> completeToSimplifiedIndex_;
+
+ //- Number of equations in addition to the species eqs.
+ label nAdditionalEqns_;
+
+ label idT_;
+ label idp_;
+ label iddeltaT_;
+
//- QR decomposition of a matrix
// Input : nCols cols number
// R the matrix to decompose
@@ -311,6 +330,7 @@ public:
{
return A_;
}
+
inline const scalarSquareMatrix& LT() const
{
return LT_;
@@ -336,32 +356,23 @@ public:
return simplifiedToCompleteIndex_;
}
- inline label simplifiedToCompleteIndex(label i)
- {
- if (i < nActiveSpecies_)
- {
- return simplifiedToCompleteIndex_[i];
- }
- else if (i == nActiveSpecies_)
- {
- return completeSpaceSize_-2;
- }
- else if (i == nActiveSpecies_+1)
- {
- return completeSpaceSize_-1;
- }
- else
- {
- return -1;
- }
- }
+ //- Increases the number of retrieves the chempoint has generated
+ void increaseNumRetrieve();
- inline const scalar& timeTag()
+ //- Resets the number of retrieves at each time step
+ void resetNumRetrieve();
+
+ //- Increases the "counter" of the chP life
+ void increaseNLifeTime();
+
+ label simplifiedToCompleteIndex(const label i);
+
+ inline const label& timeTag()
{
return timeTag_;
}
- inline scalar& lastTimeUsed()
+ inline label& lastTimeUsed()
{
return lastTimeUsed_;
}
@@ -376,6 +387,21 @@ public:
return maxNumNewDim_;
}
+ inline const label& numRetrieve()
+ {
+ return numRetrieve_;
+ }
+
+ inline const label& nLifeTime()
+ {
+ return nLifeTime_;
+ }
+
+ inline Switch variableTimeStep()
+ {
+ return variableTimeStep_;
+ }
+
// ISAT functions
//- To RETRIEVE the mapping from the stored chemPoint phi, the query
diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethod.C b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethod.C
index df64804fe2..0803a3ac30 100644
--- a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethod.C
+++ b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethod.C
@@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
- \\ / A nd | Copyright (C) 2016 OpenFOAM Foundation
+ \\ / A nd | Copyright (C) 2016-2017 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@@ -40,7 +40,8 @@ Foam::chemistryTabulationMethod<CompType, ThermoType>::chemistryTabulationMethod
active_(coeffsDict_.lookupOrDefault<Switch>("active", false)),
log_(coeffsDict_.lookupOrDefault<Switch>("log", false)),
chemistry_(chemistry),
- tolerance_(coeffsDict_.lookupOrDefault<scalar>("tolerance", 1e-4))
+ tolerance_(coeffsDict_.lookupOrDefault<scalar>("tolerance", 1e-4)),
+ variableTimeStep_(coeffsDict_.lookupOrDefault("variableTimeStep", false))
{}
diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethod.H b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethod.H
index 66053a8c63..f35dc694a8 100644
--- a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethod.H
+++ b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethod.H
@@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
- \\ / A nd | Copyright (C) 2016 OpenFOAM Foundation
+ \\ / A nd | Copyright (C) 2016-2017 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@@ -74,6 +74,8 @@ protected:
scalar tolerance_;
+ //- Switch to allow variable time step (off by default)
+ const Switch variableTimeStep_;
public:
@@ -130,6 +132,11 @@ public:
return active_ && log_;
}
+ inline bool variableTimeStep()
+ {
+ return variableTimeStep_;
+ }
+
inline scalar tolerance() const
{
return tolerance_;
@@ -152,11 +159,12 @@ public:
// Add function: (only virtual here)
// Add information to the tabulation algorithm. Give the reference for
// future retrieve (phiQ) and the corresponding result (RphiQ).
- virtual bool add
+ virtual label add
(
const scalarField& phiQ,
const scalarField& RphiQ,
- const scalar rho
+ const scalar rho,
+ const scalar deltaT
) = 0;
// Update function: (only virtual here)
diff --git a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/noChemistryTabulation/noChemistryTabulation.H b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/noChemistryTabulation/noChemistryTabulation.H
index 14bf59bfb2..9b78001386 100644
--- a/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/noChemistryTabulation/noChemistryTabulation.H
+++ b/src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/noChemistryTabulation/noChemistryTabulation.H
@@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
- \\ / A nd | Copyright (C) 2016 OpenFOAM Foundation
+ \\ / A nd | Copyright (C) 2016-2017 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@@ -104,11 +104,12 @@ public:
// existing point or add a new leaf to the binary tree Input : phiq
// the new composition to store Rphiq the mapping of the new
// composition point
- virtual bool add
+ virtual label add
(
const scalarField& phiq,
const scalarField& Rphiq,
- const scalar rho
+ const scalar rho,
+ const scalar deltaT
)
{
NotImplemented;
diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/CH4 b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/CH4
new file mode 100644
index 0000000000..15dd5eddf1
--- /dev/null
+++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/CH4
@@ -0,0 +1,48 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: dev |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class volScalarField;
+ location "0";
+ object CH4;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions [0 0 0 0 0 0 0];
+
+internalField uniform 0.0;
+
+boundaryField
+{
+ fuel
+ {
+ type fixedValue;
+ value uniform 1.0;
+ }
+ air
+ {
+ type fixedValue;
+ value uniform 0.0;
+ }
+ outlet
+ {
+ type inletOutlet;
+ inletValue uniform 0.0;
+ value uniform 0.0;
+
+ }
+ frontAndBack
+ {
+ type empty;
+ }
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/CO2 b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/CO2
new file mode 100644
index 0000000000..2fef379ec7
--- /dev/null
+++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/CO2
@@ -0,0 +1,48 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: dev |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class volScalarField;
+ location "0";
+ object CO2;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions [0 0 0 0 0 0 0];
+
+internalField uniform 0;
+
+boundaryField
+{
+ fuel
+ {
+ type fixedValue;
+ value uniform 0;
+ }
+ air
+ {
+ type fixedValue;
+ value uniform 0;
+ }
+ outlet
+ {
+ type inletOutlet;
+ inletValue uniform 0;
+ value uniform 0;
+
+ }
+ frontAndBack
+ {
+ type empty;
+ }
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/H2O b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/H2O
new file mode 100644
index 0000000000..ca22735630
--- /dev/null
+++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/H2O
@@ -0,0 +1,48 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: dev |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class volScalarField;
+ location "0";
+ object H2O;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions [0 0 0 0 0 0 0];
+
+internalField uniform 0;
+
+boundaryField
+{
+ fuel
+ {
+ type fixedValue;
+ value uniform 0;
+ }
+ air
+ {
+ type fixedValue;
+ value uniform 0;
+ }
+ outlet
+ {
+ type inletOutlet;
+ inletValue uniform 0;
+ value uniform 0;
+
+ }
+ frontAndBack
+ {
+ type empty;
+ }
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/N2 b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/N2
new file mode 100644
index 0000000000..c0af293581
--- /dev/null
+++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/N2
@@ -0,0 +1,48 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: dev |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class volScalarField;
+ location "0";
+ object N2;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions [0 0 0 0 0 0 0];
+
+internalField uniform 1;
+
+boundaryField
+{
+ fuel
+ {
+ type fixedValue;
+ value uniform 0;
+ }
+ air
+ {
+ type fixedValue;
+ value uniform 0.77;
+ }
+ outlet
+ {
+ type inletOutlet;
+ inletValue uniform 1;
+ value uniform 1;
+
+ }
+ frontAndBack
+ {
+ type empty;
+ }
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/O2 b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/O2
new file mode 100644
index 0000000000..95649fdac4
--- /dev/null
+++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/O2
@@ -0,0 +1,47 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: dev |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class volScalarField;
+ location "0";
+ object O2;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions [0 0 0 0 0 0 0];
+
+internalField uniform 0;
+
+boundaryField
+{
+ fuel
+ {
+ type fixedValue;
+ value uniform 0.0;
+ }
+ air
+ {
+ type fixedValue;
+ value uniform 0.23;
+ }
+ outlet
+ {
+ type inletOutlet;
+ inletValue uniform 0;
+ value uniform 0;
+ }
+ frontAndBack
+ {
+ type empty;
+ }
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/T b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/T
new file mode 100644
index 0000000000..8825b9971c
--- /dev/null
+++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/T
@@ -0,0 +1,47 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: dev |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class volScalarField;
+ location "0";
+ object T;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions [0 0 0 1 0 0 0];
+
+internalField uniform 2000;
+
+boundaryField
+{
+ fuel
+ {
+ type fixedValue;
+ value uniform 293;
+ }
+ air
+ {
+ type fixedValue;
+ value uniform 293;
+ }
+ outlet
+ {
+ type inletOutlet;
+ inletValue uniform 293;
+ value uniform 293;
+ }
+ frontAndBack
+ {
+ type empty;
+ }
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/U b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/U
new file mode 100644
index 0000000000..c235ba3d65
--- /dev/null
+++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/U
@@ -0,0 +1,46 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: dev |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class volVectorField;
+ location "0";
+ object U;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions [0 1 -1 0 0 0 0];
+
+internalField uniform (0 0 0);
+
+boundaryField
+{
+ fuel
+ {
+ type fixedValue;
+ value uniform (0.1 0 0);
+ }
+ air
+ {
+ type fixedValue;
+ value uniform (-0.1 0 0);
+ }
+ outlet
+ {
+ type pressureInletOutletVelocity;
+ value $internalField;
+ }
+ frontAndBack
+ {
+ type empty;
+ }
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/Ydefault b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/Ydefault
new file mode 100644
index 0000000000..96004af717
--- /dev/null
+++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/Ydefault
@@ -0,0 +1,48 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: dev |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class volScalarField;
+ location "0";
+ object Ydefault;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions [0 0 0 0 0 0 0];
+
+internalField uniform 0.0;
+
+boundaryField
+{
+ fuel
+ {
+ type fixedValue;
+ value uniform 0.0;
+ }
+ air
+ {
+ type fixedValue;
+ value uniform 0.0;
+ }
+ outlet
+ {
+ type inletOutlet;
+ inletValue uniform 0.0;
+ value uniform 0.0;
+
+ }
+ frontAndBack
+ {
+ type empty;
+ }
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/alphat b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/alphat
new file mode 100644
index 0000000000..c74018bbdb
--- /dev/null
+++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/alphat
@@ -0,0 +1,45 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: dev |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class volScalarField;
+ location "0";
+ object alphat;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions [1 -1 -1 0 0 0 0];
+
+internalField uniform 0;
+
+boundaryField
+{
+ fuel
+ {
+ type fixedValue;
+ value uniform 0;
+ }
+ air
+ {
+ type fixedValue;
+ value uniform 0;
+ }
+ outlet
+ {
+ type zeroGradient;
+ }
+ frontAndBack
+ {
+ type empty;
+ }
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/p b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/p
new file mode 100644
index 0000000000..d3bca9b21e
--- /dev/null
+++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/0/p
@@ -0,0 +1,44 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: dev |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class volScalarField;
+ location "0";
+ object p;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+dimensions [1 -1 -2 0 0 0 0];
+
+internalField uniform 1e5;
+
+boundaryField
+{
+ fuel
+ {
+ type zeroGradient;
+ }
+ air
+ {
+ type zeroGradient;
+ }
+ outlet
+ {
+ type totalPressure;
+ p0 $internalField;
+ }
+ frontAndBack
+ {
+ type empty;
+ }
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/chemistryProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/chemistryProperties
new file mode 100644
index 0000000000..09adc4c2f5
--- /dev/null
+++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/chemistryProperties
@@ -0,0 +1,137 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: dev |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class dictionary;
+ location "constant";
+ object chemistryProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+chemistryType
+{
+ chemistrySolver ode;
+ chemistryThermo psi;
+ TDAC on;
+}
+
+chemistry on;
+
+initialChemicalTimeStep 1e-7;
+
+odeCoeffs
+{
+ solver seulex;
+ absTol 1e-12;
+ relTol 1e-1;
+}
+
+reduction
+{
+ // Activate reduction
+ active on;
+
+ // Switch logging of the reduction statistics and performance
+ log on;
+
+ // Tolerance depends on the reduction method, see details for each method
+ tolerance 1e-4;
+
+ // Available methods: DRG, DAC, DRGEP, PFA, EFA
+ method DAC;
+
+ // Search initiating set (SIS) of species, needed for most methods
+ initialSet
+ {
+ CO;
+ CH4;
+ HO2;
+ }
+
+ // For DAC, option to automatically change the SIS switch from HO2 to H2O
+ // and CO to CO2, + disable fuel
+ automaticSIS off;
+
+ // When automaticSIS, the method needs to know the fuel
+ fuelSpecies
+ {
+ CH4 1;
+ }
+}
+
+tabulation
+{
+ // Activate tabulation
+ active on;
+
+ // Switch logging of the tabulation statistics and performance
+ log on;
+
+ printProportion off;
+
+ printNumRetrieve off;
+
+ variableTimeStep on;
+
+ // Tolerance used for retrieve and grow
+ tolerance 1e-3;
+
+ // ISAT is the only method currently available
+ method ISAT;
+
+ // Scale factors used in the definition of the ellipsoid of accuracy
+ scaleFactor
+ {
+ otherSpecies 1;
+ Temperature 25000;
+ Pressure 1e15;
+ deltaT 1;
+ }
+
+ // Maximum number of leafs stored in the binary tree
+ maxNLeafs 2000;
+
+ // Maximum life time of the leafs (in time steps) used in unsteady
+ // simulations to force renewal of the stored chemPoints and keep the tree
+ // small
+ chPMaxLifeTime 100;
+
+ // Maximum number of growth allowed on a chemPoint to avoid distorted
+ // chemPoints
+ maxGrowth 10;
+
+ // Number of time steps between analysis of the tree to remove old
+ // chemPoints or try to balance it
+ checkEntireTreeInterval 5;
+
+ // Parameters used to decide whether to balance or not if the tree's depth
+ // is larger than maxDepthFactor*log2(nLeafs) then balance the tree
+ maxDepthFactor 2;
+
+ // Try to balance the tree only if the size of the tree is greater
+ minBalanceThreshold 30;
+
+ // Activate the use of a MRU (most recently used) list
+ MRURetrieve false;
+
+ // Maximum size of the MRU list
+ maxMRUSize 0;
+
+ // Allow to grow points
+ growPoints true;
+
+ // When mechanism reduction is used, new dimensions might be added
+ // maxNumNewDim set the maximum number of new dimensions added during a
+ // growth
+ maxNumNewDim 10;
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/combustionProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/combustionProperties
new file mode 100644
index 0000000000..d5c12209c1
--- /dev/null
+++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/combustionProperties
@@ -0,0 +1,27 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: dev |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class dictionary;
+ location "constant";
+ object combustionProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+combustionModel laminar<psiChemistryCombustion>;
+
+active true;
+
+laminarCoeffs
+{
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/reactions b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/reactions
new file mode 100644
index 0000000000..418f256c34
--- /dev/null
+++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/reactions
@@ -0,0 +1,28 @@
+elements
+(
+O
+C
+H
+N
+);
+
+species
+(
+ O2
+ H2O
+ CH4
+ CO2
+ N2
+);
+
+reactions
+{
+ methaneReaction
+ {
+ type irreversibleArrheniusReaction;
+ reaction "CH4 + 2O2 = CO2 + 2H2O";
+ A 5.2e16;
+ beta 0;
+ Ta 14906;
+ }
+}
diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/reactionsGRI b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/reactionsGRI
new file mode 100644
index 0000000000..de8ff0a517
--- /dev/null
+++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/reactionsGRI
@@ -0,0 +1,5590 @@
+elements
+5
+(
+O
+H
+C
+N
+Ar
+)
+;
+
+species
+53
+(
+CH4
+CH2O
+CH3O
+H
+O2
+H2
+O
+OH
+H2O
+HO2
+H2O2
+C
+CH
+CH2
+CH2(S)
+CH3
+CO
+CO2
+HCO
+CH2OH
+CH3OH
+C2H
+C2H2
+C2H3
+C2H4
+C2H5
+C2H6
+HCCO
+CH2CO
+HCCOH
+N
+NH
+NH2
+NH3
+NNH
+NO
+NO2
+N2O
+HNO
+CN
+HCN
+H2CN
+HCNN
+HCNO
+HOCN
+HNCO
+NCO
+N2
+AR
+C3H7
+C3H8
+CH2CHO
+CH3CHO
+)
+;
+
+reactions
+{
+ un-named-reaction-0
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + H2 = H + OH";
+ A 38.7;
+ beta 2.7;
+ Ta 3149.98;
+ }
+ un-named-reaction-1
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + HO2 = OH + O2";
+ A 2e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-2
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + H2O2 = OH + HO2";
+ A 9630;
+ beta 2;
+ Ta 2012.76;
+ }
+ un-named-reaction-3
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + CH = H + CO";
+ A 5.7e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-4
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + CH2 = H + HCO";
+ A 8e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-5
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + CH2(S) = H2 + CO";
+ A 1.5e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-6
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + CH2(S) = H + HCO";
+ A 1.5e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-7
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + CH3 = H + CH2O";
+ A 5.06e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-8
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + CH4 = OH + CH3";
+ A 1.02e+06;
+ beta 1.5;
+ Ta 4327.44;
+ }
+ un-named-reaction-9
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + HCO = OH + CO";
+ A 3e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-10
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + HCO = H + CO2";
+ A 3e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-11
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + CH2O = OH + HCO";
+ A 3.9e+10;
+ beta 0;
+ Ta 1781.3;
+ }
+ un-named-reaction-12
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + CH2OH = OH + CH2O";
+ A 1e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-13
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + CH3O = OH + CH2O";
+ A 1e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-14
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + CH3OH = OH + CH2OH";
+ A 388;
+ beta 2.5;
+ Ta 1559.89;
+ }
+ un-named-reaction-15
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + CH3OH = OH + CH3O";
+ A 130;
+ beta 2.5;
+ Ta 2515.96;
+ }
+ un-named-reaction-16
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + C2H = CH + CO";
+ A 5e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-17
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + C2H2 = H + HCCO";
+ A 13500;
+ beta 2;
+ Ta 956.063;
+ }
+ un-named-reaction-18
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + C2H2 = OH + C2H";
+ A 4.6e+16;
+ beta -1.41;
+ Ta 14567.4;
+ }
+ un-named-reaction-19
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + C2H2 = CO + CH2";
+ A 6940;
+ beta 2;
+ Ta 956.063;
+ }
+ un-named-reaction-20
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + C2H3 = H + CH2CO";
+ A 3e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-21
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + C2H4 = CH3 + HCO";
+ A 12500;
+ beta 1.83;
+ Ta 110.702;
+ }
+ un-named-reaction-22
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + C2H5 = CH3 + CH2O";
+ A 2.24e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-23
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + C2H6 = OH + C2H5";
+ A 89800;
+ beta 1.92;
+ Ta 2863.16;
+ }
+ un-named-reaction-24
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + HCCO = H + 2CO";
+ A 1e+11;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-25
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + CH2CO = OH + HCCO";
+ A 1e+10;
+ beta 0;
+ Ta 4025.53;
+ }
+ un-named-reaction-26
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + CH2CO = CH2 + CO2";
+ A 1.75e+09;
+ beta 0;
+ Ta 679.308;
+ }
+ un-named-reaction-27
+ {
+ type reversibleArrheniusReaction;
+ reaction "O2 + CO = O + CO2";
+ A 2.5e+09;
+ beta 0;
+ Ta 24052.5;
+ }
+ un-named-reaction-28
+ {
+ type reversibleArrheniusReaction;
+ reaction "O2 + CH2O = HO2 + HCO";
+ A 1e+11;
+ beta 0;
+ Ta 20127.6;
+ }
+ un-named-reaction-29
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + 2O2 = HO2 + O2";
+ A 2.08e+13;
+ beta -1.24;
+ Ta 0;
+ }
+ un-named-reaction-30
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + O2 + H2O = HO2 + H2O";
+ A 1.126e+13;
+ beta -0.76;
+ Ta 0;
+ }
+ un-named-reaction-31
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + O2 + N2 = HO2 + N2";
+ A 2.6e+13;
+ beta -1.24;
+ Ta 0;
+ }
+ un-named-reaction-32
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + O2 + AR = HO2 + AR";
+ A 7e+11;
+ beta -0.8;
+ Ta 0;
+ }
+ un-named-reaction-33
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + O2 = O + OH";
+ A 2.65e+13;
+ beta -0.6707;
+ Ta 8574.88;
+ }
+ un-named-reaction-34
+ {
+ type reversibleArrheniusReaction;
+ reaction "2H + H2 = 2H2";
+ A 9e+10;
+ beta -0.6;
+ Ta 0;
+ }
+ un-named-reaction-35
+ {
+ type reversibleArrheniusReaction;
+ reaction "2H + H2O = H2 + H2O";
+ A 6e+13;
+ beta -1.25;
+ Ta 0;
+ }
+ un-named-reaction-36
+ {
+ type reversibleArrheniusReaction;
+ reaction "2H + CO2 = H2 + CO2";
+ A 5.5e+14;
+ beta -2;
+ Ta 0;
+ }
+ un-named-reaction-37
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + HO2 = O + H2O";
+ A 3.97e+09;
+ beta 0;
+ Ta 337.641;
+ }
+ un-named-reaction-38
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + HO2 = O2 + H2";
+ A 4.48e+10;
+ beta 0;
+ Ta 537.408;
+ }
+ un-named-reaction-39
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + HO2 = 2OH";
+ A 8.4e+10;
+ beta 0;
+ Ta 319.526;
+ }
+ un-named-reaction-40
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + H2O2 = HO2 + H2";
+ A 12100;
+ beta 2;
+ Ta 2616.59;
+ }
+ un-named-reaction-41
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + H2O2 = OH + H2O";
+ A 1e+10;
+ beta 0;
+ Ta 1811.49;
+ }
+ un-named-reaction-42
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + CH = C + H2";
+ A 1.65e+11;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-43
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + CH2(S) = CH + H2";
+ A 3e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-44
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + CH4 = CH3 + H2";
+ A 660000;
+ beta 1.62;
+ Ta 5454.59;
+ }
+ un-named-reaction-45
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + HCO = H2 + CO";
+ A 7.34e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-46
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + CH2O = HCO + H2";
+ A 57400;
+ beta 1.9;
+ Ta 1379.75;
+ }
+ un-named-reaction-47
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + CH2OH = H2 + CH2O";
+ A 2e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-48
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + CH2OH = OH + CH3";
+ A 1.65e+08;
+ beta 0.65;
+ Ta -142.906;
+ }
+ un-named-reaction-49
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + CH2OH = CH2(S) + H2O";
+ A 3.28e+10;
+ beta -0.09;
+ Ta 306.947;
+ }
+ un-named-reaction-50
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + CH3O = H + CH2OH";
+ A 41500;
+ beta 1.63;
+ Ta 968.14;
+ }
+ un-named-reaction-51
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + CH3O = H2 + CH2O";
+ A 2e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-52
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + CH3O = OH + CH3";
+ A 1.5e+09;
+ beta 0.5;
+ Ta -55.351;
+ }
+ un-named-reaction-53
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + CH3O = CH2(S) + H2O";
+ A 2.62e+11;
+ beta -0.23;
+ Ta 538.415;
+ }
+ un-named-reaction-54
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + CH3OH = CH2OH + H2";
+ A 17000;
+ beta 2.1;
+ Ta 2450.54;
+ }
+ un-named-reaction-55
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + CH3OH = CH3O + H2";
+ A 4200;
+ beta 2.1;
+ Ta 2450.54;
+ }
+ un-named-reaction-56
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + C2H3 = H2 + C2H2";
+ A 3e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-57
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + C2H4 = C2H3 + H2";
+ A 1325;
+ beta 2.53;
+ Ta 6159.06;
+ }
+ un-named-reaction-58
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + C2H5 = H2 + C2H4";
+ A 2e+09;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-59
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + C2H6 = C2H5 + H2";
+ A 115000;
+ beta 1.9;
+ Ta 3789.03;
+ }
+ un-named-reaction-60
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + HCCO = CH2(S) + CO";
+ A 1e+11;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-61
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + CH2CO = HCCO + H2";
+ A 5e+10;
+ beta 0;
+ Ta 4025.53;
+ }
+ un-named-reaction-62
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + CH2CO = CH3 + CO";
+ A 1.13e+10;
+ beta 0;
+ Ta 1724.94;
+ }
+ un-named-reaction-63
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + HCCOH = H + CH2CO";
+ A 1e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-64
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + H2 = H + H2O";
+ A 216000;
+ beta 1.51;
+ Ta 1725.95;
+ }
+ un-named-reaction-65
+ {
+ type reversibleArrheniusReaction;
+ reaction "2OH = O + H2O";
+ A 35.7;
+ beta 2.4;
+ Ta -1061.73;
+ }
+ un-named-reaction-66
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + HO2 = O2 + H2O";
+ A 1.45e+10;
+ beta 0;
+ Ta -251.596;
+ }
+ un-named-reaction-67
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + H2O2 = HO2 + H2O";
+ A 2e+09;
+ beta 0;
+ Ta 214.863;
+ }
+ un-named-reaction-68
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + H2O2 = HO2 + H2O";
+ A 1.7e+15;
+ beta 0;
+ Ta 14798.9;
+ }
+ un-named-reaction-69
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + C = H + CO";
+ A 5e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-70
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + CH = H + HCO";
+ A 3e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-71
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + CH2 = H + CH2O";
+ A 2e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-72
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + CH2 = CH + H2O";
+ A 11300;
+ beta 2;
+ Ta 1509.57;
+ }
+ un-named-reaction-73
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + CH2(S) = H + CH2O";
+ A 3e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-74
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + CH3 = CH2 + H2O";
+ A 56000;
+ beta 1.6;
+ Ta 2727.3;
+ }
+ un-named-reaction-75
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + CH3 = CH2(S) + H2O";
+ A 6.44e+14;
+ beta -1.34;
+ Ta 713.022;
+ }
+ un-named-reaction-76
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + CH4 = CH3 + H2O";
+ A 100000;
+ beta 1.6;
+ Ta 1569.96;
+ }
+ un-named-reaction-77
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + CO = H + CO2";
+ A 47600;
+ beta 1.228;
+ Ta 35.2234;
+ }
+ un-named-reaction-78
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + HCO = H2O + CO";
+ A 5e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-79
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + CH2O = HCO + H2O";
+ A 3.43e+06;
+ beta 1.18;
+ Ta -224.926;
+ }
+ un-named-reaction-80
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + CH2OH = H2O + CH2O";
+ A 5e+09;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-81
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + CH3O = H2O + CH2O";
+ A 5e+09;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-82
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + CH3OH = CH2OH + H2O";
+ A 1440;
+ beta 2;
+ Ta -422.681;
+ }
+ un-named-reaction-83
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + CH3OH = CH3O + H2O";
+ A 6300;
+ beta 2;
+ Ta 754.787;
+ }
+ un-named-reaction-84
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + C2H = H + HCCO";
+ A 2e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-85
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + C2H2 = H + CH2CO";
+ A 2.18e-07;
+ beta 4.5;
+ Ta -503.191;
+ }
+ un-named-reaction-86
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + C2H2 = H + HCCOH";
+ A 504;
+ beta 2.3;
+ Ta 6793.08;
+ }
+ un-named-reaction-87
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + C2H2 = C2H + H2O";
+ A 33700;
+ beta 2;
+ Ta 7044.68;
+ }
+ un-named-reaction-88
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + C2H2 = CH3 + CO";
+ A 4.83e-07;
+ beta 4;
+ Ta -1006.38;
+ }
+ un-named-reaction-89
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + C2H3 = H2O + C2H2";
+ A 5e+09;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-90
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + C2H4 = C2H3 + H2O";
+ A 3600;
+ beta 2;
+ Ta 1257.98;
+ }
+ un-named-reaction-91
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + C2H6 = C2H5 + H2O";
+ A 3540;
+ beta 2.12;
+ Ta 437.776;
+ }
+ un-named-reaction-92
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + CH2CO = HCCO + H2O";
+ A 7.5e+09;
+ beta 0;
+ Ta 1006.38;
+ }
+ un-named-reaction-93
+ {
+ type reversibleArrheniusReaction;
+ reaction "2HO2 = O2 + H2O2";
+ A 1.3e+08;
+ beta 0;
+ Ta -820.202;
+ }
+ un-named-reaction-94
+ {
+ type reversibleArrheniusReaction;
+ reaction "2HO2 = O2 + H2O2";
+ A 4.2e+11;
+ beta 0;
+ Ta 6038.29;
+ }
+ un-named-reaction-95
+ {
+ type reversibleArrheniusReaction;
+ reaction "HO2 + CH2 = OH + CH2O";
+ A 2e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-96
+ {
+ type reversibleArrheniusReaction;
+ reaction "HO2 + CH3 = O2 + CH4";
+ A 1e+09;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-97
+ {
+ type reversibleArrheniusReaction;
+ reaction "HO2 + CH3 = OH + CH3O";
+ A 3.78e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-98
+ {
+ type reversibleArrheniusReaction;
+ reaction "HO2 + CO = OH + CO2";
+ A 1.5e+11;
+ beta 0;
+ Ta 11875.3;
+ }
+ un-named-reaction-99
+ {
+ type reversibleArrheniusReaction;
+ reaction "HO2 + CH2O = HCO + H2O2";
+ A 5600;
+ beta 2;
+ Ta 6038.29;
+ }
+ un-named-reaction-100
+ {
+ type reversibleArrheniusReaction;
+ reaction "C + O2 = O + CO";
+ A 5.8e+10;
+ beta 0;
+ Ta 289.838;
+ }
+ un-named-reaction-101
+ {
+ type reversibleArrheniusReaction;
+ reaction "C + CH2 = H + C2H";
+ A 5e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-102
+ {
+ type reversibleArrheniusReaction;
+ reaction "C + CH3 = H + C2H2";
+ A 5e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-103
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH + O2 = O + HCO";
+ A 6.71e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-104
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH + H2 = H + CH2";
+ A 1.08e+11;
+ beta 0;
+ Ta 1564.92;
+ }
+ un-named-reaction-105
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH + H2O = H + CH2O";
+ A 5.71e+09;
+ beta 0;
+ Ta -379.909;
+ }
+ un-named-reaction-106
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH + CH2 = H + C2H2";
+ A 4e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-107
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH + CH3 = H + C2H3";
+ A 3e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-108
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH + CH4 = H + C2H4";
+ A 6e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-109
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH + CO2 = HCO + CO";
+ A 1.9e+11;
+ beta 0;
+ Ta 7946.4;
+ }
+ un-named-reaction-110
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH + CH2O = H + CH2CO";
+ A 9.46e+10;
+ beta 0;
+ Ta -259.143;
+ }
+ un-named-reaction-111
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH + HCCO = CO + C2H2";
+ A 5e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-112
+ {
+ type irreversibleArrheniusReaction;
+ reaction "CH2 + O2 = OH + H + CO";
+ A 5e+09;
+ beta 0;
+ Ta 754.787;
+ }
+ un-named-reaction-113
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH2 + H2 = H + CH3";
+ A 500;
+ beta 2;
+ Ta 3638.07;
+ }
+ un-named-reaction-114
+ {
+ type reversibleArrheniusReaction;
+ reaction "2CH2 = H2 + C2H2";
+ A 1.6e+12;
+ beta 0;
+ Ta 6010.12;
+ }
+ un-named-reaction-115
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH2 + CH3 = H + C2H4";
+ A 4e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-116
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH2 + CH4 = 2CH3";
+ A 2460;
+ beta 2;
+ Ta 4161.39;
+ }
+ un-named-reaction-117
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH2 + HCCO = C2H3 + CO";
+ A 3e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-118
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH2(S) + N2 = CH2 + N2";
+ A 1.5e+10;
+ beta 0;
+ Ta 301.915;
+ }
+ un-named-reaction-119
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH2(S) + AR = CH2 + AR";
+ A 9e+09;
+ beta 0;
+ Ta 301.915;
+ }
+ un-named-reaction-120
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH2(S) + O2 = H + OH + CO";
+ A 2.8e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-121
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH2(S) + O2 = CO + H2O";
+ A 1.2e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-122
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH2(S) + H2 = CH3 + H";
+ A 7e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-123
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH2(S) + H2O = CH2 + H2O";
+ A 3e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-124
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH2(S) + CH3 = H + C2H4";
+ A 1.2e+10;
+ beta 0;
+ Ta -286.819;
+ }
+ un-named-reaction-125
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH2(S) + CH4 = 2CH3";
+ A 1.6e+10;
+ beta 0;
+ Ta -286.819;
+ }
+ un-named-reaction-126
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH2(S) + CO = CH2 + CO";
+ A 9e+09;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-127
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH2(S) + CO2 = CH2 + CO2";
+ A 7e+09;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-128
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH2(S) + CO2 = CO + CH2O";
+ A 1.4e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-129
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH2(S) + C2H6 = CH3 + C2H5";
+ A 4e+10;
+ beta 0;
+ Ta -276.755;
+ }
+ un-named-reaction-130
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH3 + O2 = O + CH3O";
+ A 3.56e+10;
+ beta 0;
+ Ta 15337.3;
+ }
+ un-named-reaction-131
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH3 + O2 = OH + CH2O";
+ A 2.31e+09;
+ beta 0;
+ Ta 10222.3;
+ }
+ un-named-reaction-132
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH3 + H2O2 = HO2 + CH4";
+ A 24.5;
+ beta 2.47;
+ Ta 2606.53;
+ }
+ un-named-reaction-133
+ {
+ type reversibleArrheniusReaction;
+ reaction "2CH3 = H + C2H5";
+ A 6.84e+09;
+ beta 0.1;
+ Ta 5333.83;
+ }
+ un-named-reaction-134
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH3 + HCO = CH4 + CO";
+ A 2.648e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-135
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH3 + CH2O = HCO + CH4";
+ A 3.32;
+ beta 2.81;
+ Ta 2948.7;
+ }
+ un-named-reaction-136
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH3 + CH3OH = CH2OH + CH4";
+ A 30000;
+ beta 1.5;
+ Ta 5001.72;
+ }
+ un-named-reaction-137
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH3 + CH3OH = CH3O + CH4";
+ A 10000;
+ beta 1.5;
+ Ta 5001.72;
+ }
+ un-named-reaction-138
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH3 + C2H4 = C2H3 + CH4";
+ A 227;
+ beta 2;
+ Ta 4629.36;
+ }
+ un-named-reaction-139
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH3 + C2H6 = C2H5 + CH4";
+ A 6140;
+ beta 1.74;
+ Ta 5258.35;
+ }
+ un-named-reaction-140
+ {
+ type reversibleArrheniusReaction;
+ reaction "HCO + H2O = H + CO + H2O";
+ A 1.5e+15;
+ beta -1;
+ Ta 8554.25;
+ }
+ un-named-reaction-141
+ {
+ type reversibleArrheniusReaction;
+ reaction "HCO + O2 = HO2 + CO";
+ A 1.345e+10;
+ beta 0;
+ Ta 201.276;
+ }
+ un-named-reaction-142
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH2OH + O2 = HO2 + CH2O";
+ A 1.8e+10;
+ beta 0;
+ Ta 452.872;
+ }
+ un-named-reaction-143
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH3O + O2 = HO2 + CH2O";
+ A 4.28e-16;
+ beta 7.6;
+ Ta -1776.27;
+ }
+ un-named-reaction-144
+ {
+ type reversibleArrheniusReaction;
+ reaction "C2H + O2 = HCO + CO";
+ A 1e+10;
+ beta 0;
+ Ta -379.909;
+ }
+ un-named-reaction-145
+ {
+ type reversibleArrheniusReaction;
+ reaction "C2H + H2 = H + C2H2";
+ A 5.68e+07;
+ beta 0.9;
+ Ta 1002.86;
+ }
+ un-named-reaction-146
+ {
+ type reversibleArrheniusReaction;
+ reaction "C2H3 + O2 = HCO + CH2O";
+ A 4.58e+13;
+ beta -1.39;
+ Ta 510.739;
+ }
+ un-named-reaction-147
+ {
+ type reversibleArrheniusReaction;
+ reaction "C2H5 + O2 = HO2 + C2H4";
+ A 8.4e+08;
+ beta 0;
+ Ta 1949.87;
+ }
+ un-named-reaction-148
+ {
+ type reversibleArrheniusReaction;
+ reaction "HCCO + O2 = OH + 2CO";
+ A 3.2e+09;
+ beta 0;
+ Ta 429.725;
+ }
+ un-named-reaction-149
+ {
+ type reversibleArrheniusReaction;
+ reaction "2HCCO = 2CO + C2H2";
+ A 1e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-150
+ {
+ type reversibleArrheniusReaction;
+ reaction "N + NO = N2 + O";
+ A 2.7e+10;
+ beta 0;
+ Ta 178.633;
+ }
+ un-named-reaction-151
+ {
+ type reversibleArrheniusReaction;
+ reaction "N + O2 = NO + O";
+ A 9e+06;
+ beta 1;
+ Ta 3270.74;
+ }
+ un-named-reaction-152
+ {
+ type reversibleArrheniusReaction;
+ reaction "N + OH = NO + H";
+ A 3.36e+10;
+ beta 0;
+ Ta 193.729;
+ }
+ un-named-reaction-153
+ {
+ type reversibleArrheniusReaction;
+ reaction "N2O + O = N2 + O2";
+ A 1.4e+09;
+ beta 0;
+ Ta 5439.5;
+ }
+ un-named-reaction-154
+ {
+ type reversibleArrheniusReaction;
+ reaction "N2O + O = 2NO";
+ A 2.9e+10;
+ beta 0;
+ Ta 11648.9;
+ }
+ un-named-reaction-155
+ {
+ type reversibleArrheniusReaction;
+ reaction "N2O + H = N2 + OH";
+ A 3.87e+11;
+ beta 0;
+ Ta 9500.25;
+ }
+ un-named-reaction-156
+ {
+ type reversibleArrheniusReaction;
+ reaction "N2O + OH = N2 + HO2";
+ A 2e+09;
+ beta 0;
+ Ta 10597.2;
+ }
+ un-named-reaction-157
+ {
+ type reversibleArrheniusReaction;
+ reaction "HO2 + NO = NO2 + OH";
+ A 2.11e+09;
+ beta 0;
+ Ta -241.532;
+ }
+ un-named-reaction-158
+ {
+ type reversibleArrheniusReaction;
+ reaction "NO2 + O = NO + O2";
+ A 3.9e+09;
+ beta 0;
+ Ta -120.766;
+ }
+ un-named-reaction-159
+ {
+ type reversibleArrheniusReaction;
+ reaction "NO2 + H = NO + OH";
+ A 1.32e+11;
+ beta 0;
+ Ta 181.149;
+ }
+ un-named-reaction-160
+ {
+ type reversibleArrheniusReaction;
+ reaction "NH + O = NO + H";
+ A 4e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-161
+ {
+ type reversibleArrheniusReaction;
+ reaction "NH + H = N + H2";
+ A 3.2e+10;
+ beta 0;
+ Ta 166.053;
+ }
+ un-named-reaction-162
+ {
+ type reversibleArrheniusReaction;
+ reaction "NH + OH = HNO + H";
+ A 2e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-163
+ {
+ type reversibleArrheniusReaction;
+ reaction "NH + OH = N + H2O";
+ A 2e+06;
+ beta 1.2;
+ Ta 0;
+ }
+ un-named-reaction-164
+ {
+ type reversibleArrheniusReaction;
+ reaction "NH + O2 = HNO + O";
+ A 461;
+ beta 2;
+ Ta 3270.74;
+ }
+ un-named-reaction-165
+ {
+ type reversibleArrheniusReaction;
+ reaction "NH + O2 = NO + OH";
+ A 1280;
+ beta 1.5;
+ Ta 50.3191;
+ }
+ un-named-reaction-166
+ {
+ type reversibleArrheniusReaction;
+ reaction "NH + N = N2 + H";
+ A 1.5e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-167
+ {
+ type reversibleArrheniusReaction;
+ reaction "NH + H2O = HNO + H2";
+ A 2e+10;
+ beta 0;
+ Ta 6969.2;
+ }
+ un-named-reaction-168
+ {
+ type reversibleArrheniusReaction;
+ reaction "NH + NO = N2 + OH";
+ A 2.16e+10;
+ beta -0.23;
+ Ta 0;
+ }
+ un-named-reaction-169
+ {
+ type reversibleArrheniusReaction;
+ reaction "NH + NO = N2O + H";
+ A 3.65e+11;
+ beta -0.45;
+ Ta 0;
+ }
+ un-named-reaction-170
+ {
+ type reversibleArrheniusReaction;
+ reaction "NH2 + O = OH + NH";
+ A 3e+09;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-171
+ {
+ type reversibleArrheniusReaction;
+ reaction "NH2 + O = H + HNO";
+ A 3.9e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-172
+ {
+ type reversibleArrheniusReaction;
+ reaction "NH2 + H = NH + H2";
+ A 4e+10;
+ beta 0;
+ Ta 1836.65;
+ }
+ un-named-reaction-173
+ {
+ type reversibleArrheniusReaction;
+ reaction "NH2 + OH = NH + H2O";
+ A 90000;
+ beta 1.5;
+ Ta -231.468;
+ }
+ un-named-reaction-174
+ {
+ type reversibleArrheniusReaction;
+ reaction "NNH = N2 + H";
+ A 3.3e+08;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-175
+ {
+ type reversibleArrheniusReaction;
+ reaction "NNH + O2 = HO2 + N2";
+ A 5e+09;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-176
+ {
+ type reversibleArrheniusReaction;
+ reaction "NNH + O = OH + N2";
+ A 2.5e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-177
+ {
+ type reversibleArrheniusReaction;
+ reaction "NNH + O = NH + NO";
+ A 7e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-178
+ {
+ type reversibleArrheniusReaction;
+ reaction "NNH + H = H2 + N2";
+ A 5e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-179
+ {
+ type reversibleArrheniusReaction;
+ reaction "NNH + OH = H2O + N2";
+ A 2e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-180
+ {
+ type reversibleArrheniusReaction;
+ reaction "NNH + CH3 = CH4 + N2";
+ A 2.5e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-181
+ {
+ type reversibleArrheniusReaction;
+ reaction "HNO + O = NO + OH";
+ A 2.5e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-182
+ {
+ type reversibleArrheniusReaction;
+ reaction "HNO + H = H2 + NO";
+ A 9e+08;
+ beta 0.72;
+ Ta 332.106;
+ }
+ un-named-reaction-183
+ {
+ type reversibleArrheniusReaction;
+ reaction "HNO + OH = NO + H2O";
+ A 13000;
+ beta 1.9;
+ Ta -478.032;
+ }
+ un-named-reaction-184
+ {
+ type reversibleArrheniusReaction;
+ reaction "HNO + O2 = HO2 + NO";
+ A 1e+10;
+ beta 0;
+ Ta 6541.49;
+ }
+ un-named-reaction-185
+ {
+ type reversibleArrheniusReaction;
+ reaction "CN + O = CO + N";
+ A 7.7e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-186
+ {
+ type reversibleArrheniusReaction;
+ reaction "CN + OH = NCO + H";
+ A 4e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-187
+ {
+ type reversibleArrheniusReaction;
+ reaction "CN + H2O = HCN + OH";
+ A 8e+09;
+ beta 0;
+ Ta 3753.81;
+ }
+ un-named-reaction-188
+ {
+ type reversibleArrheniusReaction;
+ reaction "CN + O2 = NCO + O";
+ A 6.14e+09;
+ beta 0;
+ Ta -221.404;
+ }
+ un-named-reaction-189
+ {
+ type reversibleArrheniusReaction;
+ reaction "CN + H2 = HCN + H";
+ A 295;
+ beta 2.45;
+ Ta 1127.15;
+ }
+ un-named-reaction-190
+ {
+ type reversibleArrheniusReaction;
+ reaction "NCO + O = NO + CO";
+ A 2.35e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-191
+ {
+ type reversibleArrheniusReaction;
+ reaction "NCO + H = NH + CO";
+ A 5.4e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-192
+ {
+ type reversibleArrheniusReaction;
+ reaction "NCO + OH = NO + H + CO";
+ A 2.5e+09;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-193
+ {
+ type reversibleArrheniusReaction;
+ reaction "NCO + N = N2 + CO";
+ A 2e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-194
+ {
+ type reversibleArrheniusReaction;
+ reaction "NCO + O2 = NO + CO2";
+ A 2e+09;
+ beta 0;
+ Ta 10063.8;
+ }
+ un-named-reaction-195
+ {
+ type reversibleArrheniusReaction;
+ reaction "NCO + NO = N2O + CO";
+ A 1.9e+14;
+ beta -1.52;
+ Ta 372.362;
+ }
+ un-named-reaction-196
+ {
+ type reversibleArrheniusReaction;
+ reaction "NCO + NO = N2 + CO2";
+ A 3.8e+15;
+ beta -2;
+ Ta 402.553;
+ }
+ un-named-reaction-197
+ {
+ type reversibleArrheniusReaction;
+ reaction "HCN + O = NCO + H";
+ A 20.3;
+ beta 2.64;
+ Ta 2505.89;
+ }
+ un-named-reaction-198
+ {
+ type reversibleArrheniusReaction;
+ reaction "HCN + O = NH + CO";
+ A 5.07;
+ beta 2.64;
+ Ta 2505.89;
+ }
+ un-named-reaction-199
+ {
+ type reversibleArrheniusReaction;
+ reaction "HCN + O = CN + OH";
+ A 3.91e+06;
+ beta 1.58;
+ Ta 13384.9;
+ }
+ un-named-reaction-200
+ {
+ type reversibleArrheniusReaction;
+ reaction "HCN + OH = HOCN + H";
+ A 1100;
+ beta 2.03;
+ Ta 6727.67;
+ }
+ un-named-reaction-201
+ {
+ type reversibleArrheniusReaction;
+ reaction "HCN + OH = HNCO + H";
+ A 4.4;
+ beta 2.26;
+ Ta 3220.42;
+ }
+ un-named-reaction-202
+ {
+ type reversibleArrheniusReaction;
+ reaction "HCN + OH = NH2 + CO";
+ A 0.16;
+ beta 2.56;
+ Ta 4528.72;
+ }
+ un-named-reaction-203
+ {
+ type reversibleArrheniusReaction;
+ reaction "H2CN + N = N2 + CH2";
+ A 6e+10;
+ beta 0;
+ Ta 201.276;
+ }
+ un-named-reaction-204
+ {
+ type reversibleArrheniusReaction;
+ reaction "C + N2 = CN + N";
+ A 6.3e+10;
+ beta 0;
+ Ta 23156.9;
+ }
+ un-named-reaction-205
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH + N2 = HCN + N";
+ A 3.12e+06;
+ beta 0.88;
+ Ta 10129.2;
+ }
+ un-named-reaction-206
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH2 + N2 = HCN + NH";
+ A 1e+10;
+ beta 0;
+ Ta 37236.2;
+ }
+ un-named-reaction-207
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH2(S) + N2 = NH + HCN";
+ A 1e+08;
+ beta 0;
+ Ta 32707.4;
+ }
+ un-named-reaction-208
+ {
+ type reversibleArrheniusReaction;
+ reaction "C + NO = CN + O";
+ A 1.9e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-209
+ {
+ type reversibleArrheniusReaction;
+ reaction "C + NO = CO + N";
+ A 2.9e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-210
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH + NO = HCN + O";
+ A 4.1e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-211
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH + NO = H + NCO";
+ A 1.62e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-212
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH + NO = N + HCO";
+ A 2.46e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-213
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH2 + NO = H + HNCO";
+ A 3.1e+14;
+ beta -1.38;
+ Ta 639.053;
+ }
+ un-named-reaction-214
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH2 + NO = OH + HCN";
+ A 2.9e+11;
+ beta -0.69;
+ Ta 382.425;
+ }
+ un-named-reaction-215
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH2 + NO = H + HCNO";
+ A 3.8e+10;
+ beta -0.36;
+ Ta 291.851;
+ }
+ un-named-reaction-216
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH2(S) + NO = H + HNCO";
+ A 3.1e+14;
+ beta -1.38;
+ Ta 639.053;
+ }
+ un-named-reaction-217
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH2(S) + NO = OH + HCN";
+ A 2.9e+11;
+ beta -0.69;
+ Ta 382.425;
+ }
+ un-named-reaction-218
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH2(S) + NO = H + HCNO";
+ A 3.8e+10;
+ beta -0.36;
+ Ta 291.851;
+ }
+ un-named-reaction-219
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH3 + NO = HCN + H2O";
+ A 9.6e+10;
+ beta 0;
+ Ta 14491.9;
+ }
+ un-named-reaction-220
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH3 + NO = H2CN + OH";
+ A 1e+09;
+ beta 0;
+ Ta 10944.4;
+ }
+ un-named-reaction-221
+ {
+ type reversibleArrheniusReaction;
+ reaction "HCNN + O = CO + H + N2";
+ A 2.2e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-222
+ {
+ type reversibleArrheniusReaction;
+ reaction "HCNN + O = HCN + NO";
+ A 2e+09;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-223
+ {
+ type reversibleArrheniusReaction;
+ reaction "HCNN + O2 = O + HCO + N2";
+ A 1.2e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-224
+ {
+ type reversibleArrheniusReaction;
+ reaction "HCNN + OH = H + HCO + N2";
+ A 1.2e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-225
+ {
+ type reversibleArrheniusReaction;
+ reaction "HCNN + H = CH2 + N2";
+ A 1e+11;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-226
+ {
+ type reversibleArrheniusReaction;
+ reaction "HNCO + O = NH + CO2";
+ A 98000;
+ beta 1.41;
+ Ta 4277.13;
+ }
+ un-named-reaction-227
+ {
+ type reversibleArrheniusReaction;
+ reaction "HNCO + O = HNO + CO";
+ A 150000;
+ beta 1.57;
+ Ta 22140.4;
+ }
+ un-named-reaction-228
+ {
+ type reversibleArrheniusReaction;
+ reaction "HNCO + O = NCO + OH";
+ A 2200;
+ beta 2.11;
+ Ta 5736.38;
+ }
+ un-named-reaction-229
+ {
+ type reversibleArrheniusReaction;
+ reaction "HNCO + H = NH2 + CO";
+ A 22500;
+ beta 1.7;
+ Ta 1912.13;
+ }
+ un-named-reaction-230
+ {
+ type reversibleArrheniusReaction;
+ reaction "HNCO + H = H2 + NCO";
+ A 105;
+ beta 2.5;
+ Ta 6692.44;
+ }
+ un-named-reaction-231
+ {
+ type reversibleArrheniusReaction;
+ reaction "HNCO + OH = NCO + H2O";
+ A 33000;
+ beta 1.5;
+ Ta 1811.49;
+ }
+ un-named-reaction-232
+ {
+ type reversibleArrheniusReaction;
+ reaction "HNCO + OH = NH2 + CO2";
+ A 3300;
+ beta 1.5;
+ Ta 1811.49;
+ }
+ un-named-reaction-233
+ {
+ type reversibleArrheniusReaction;
+ reaction "HCNO + H = H + HNCO";
+ A 2.1e+12;
+ beta -0.69;
+ Ta 1434.1;
+ }
+ un-named-reaction-234
+ {
+ type reversibleArrheniusReaction;
+ reaction "HCNO + H = OH + HCN";
+ A 2.7e+08;
+ beta 0.18;
+ Ta 1066.77;
+ }
+ un-named-reaction-235
+ {
+ type reversibleArrheniusReaction;
+ reaction "HCNO + H = NH2 + CO";
+ A 1.7e+11;
+ beta -0.75;
+ Ta 1454.22;
+ }
+ un-named-reaction-236
+ {
+ type reversibleArrheniusReaction;
+ reaction "HOCN + H = H + HNCO";
+ A 20000;
+ beta 2;
+ Ta 1006.38;
+ }
+ un-named-reaction-237
+ {
+ type reversibleArrheniusReaction;
+ reaction "HCCO + NO = HCNO + CO";
+ A 9e+09;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-238
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH3 + N = H2CN + H";
+ A 6.1e+11;
+ beta -0.31;
+ Ta 145.925;
+ }
+ un-named-reaction-239
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH3 + N = HCN + H2";
+ A 3.7e+09;
+ beta 0.15;
+ Ta -45.2872;
+ }
+ un-named-reaction-240
+ {
+ type reversibleArrheniusReaction;
+ reaction "NH3 + H = NH2 + H2";
+ A 540;
+ beta 2.4;
+ Ta 4989.14;
+ }
+ un-named-reaction-241
+ {
+ type reversibleArrheniusReaction;
+ reaction "NH3 + OH = NH2 + H2O";
+ A 50000;
+ beta 1.6;
+ Ta 480.548;
+ }
+ un-named-reaction-242
+ {
+ type reversibleArrheniusReaction;
+ reaction "NH3 + O = NH2 + OH";
+ A 9400;
+ beta 1.94;
+ Ta 3250.62;
+ }
+ un-named-reaction-243
+ {
+ type reversibleArrheniusReaction;
+ reaction "NH + CO2 = HNO + CO";
+ A 1e+10;
+ beta 0;
+ Ta 7220.79;
+ }
+ un-named-reaction-244
+ {
+ type reversibleArrheniusReaction;
+ reaction "CN + NO2 = NCO + NO";
+ A 6.16e+12;
+ beta -0.752;
+ Ta 173.601;
+ }
+ un-named-reaction-245
+ {
+ type reversibleArrheniusReaction;
+ reaction "NCO + NO2 = N2O + CO2";
+ A 3.25e+09;
+ beta 0;
+ Ta -354.75;
+ }
+ un-named-reaction-246
+ {
+ type reversibleArrheniusReaction;
+ reaction "N + CO2 = NO + CO";
+ A 3e+09;
+ beta 0;
+ Ta 5686.06;
+ }
+ un-named-reaction-247
+ {
+ type irreversibleArrheniusReaction;
+ reaction "O + CH3 = H + H2 + CO";
+ A 3.37e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-248
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + C2H4 = H + CH2CHO";
+ A 6700;
+ beta 1.83;
+ Ta 110.702;
+ }
+ un-named-reaction-249
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + C2H5 = H + CH3CHO";
+ A 1.096e+11;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-250
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + HO2 = O2 + H2O";
+ A 5e+12;
+ beta 0;
+ Ta 8720.3;
+ }
+ un-named-reaction-251
+ {
+ type irreversibleArrheniusReaction;
+ reaction "OH + CH3 = H2 + CH2O";
+ A 8e+06;
+ beta 0.5;
+ Ta -883.101;
+ }
+ un-named-reaction-252
+ {
+ type irreversibleArrheniusReaction;
+ reaction "CH2 + O2 = 2H + CO2";
+ A 5.8e+09;
+ beta 0;
+ Ta 754.787;
+ }
+ un-named-reaction-253
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH2 + O2 = O + CH2O";
+ A 2.4e+09;
+ beta 0;
+ Ta 754.787;
+ }
+ un-named-reaction-254
+ {
+ type irreversibleArrheniusReaction;
+ reaction "CH2 + CH2 = 2H + C2H2";
+ A 2e+11;
+ beta 0;
+ Ta 5529.57;
+ }
+ un-named-reaction-255
+ {
+ type irreversibleArrheniusReaction;
+ reaction "CH2(S) + H2O = H2 + CH2O";
+ A 6.82e+07;
+ beta 0.25;
+ Ta -470.484;
+ }
+ un-named-reaction-256
+ {
+ type reversibleArrheniusReaction;
+ reaction "C2H3 + O2 = O + CH2CHO";
+ A 3.03e+08;
+ beta 0.29;
+ Ta 5.5351;
+ }
+ un-named-reaction-257
+ {
+ type reversibleArrheniusReaction;
+ reaction "C2H3 + O2 = HO2 + C2H2";
+ A 1337;
+ beta 1.61;
+ Ta -193.225;
+ }
+ un-named-reaction-258
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + CH3CHO = OH + CH2CHO";
+ A 2.92e+09;
+ beta 0;
+ Ta 909.77;
+ }
+ un-named-reaction-259
+ {
+ type irreversibleArrheniusReaction;
+ reaction "O + CH3CHO = OH + CH3 + CO";
+ A 2.92e+09;
+ beta 0;
+ Ta 909.77;
+ }
+ un-named-reaction-260
+ {
+ type irreversibleArrheniusReaction;
+ reaction "O2 + CH3CHO = HO2 + CH3 + CO";
+ A 3.01e+10;
+ beta 0;
+ Ta 19699.9;
+ }
+ un-named-reaction-261
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + CH3CHO = CH2CHO + H2";
+ A 2.05e+06;
+ beta 1.16;
+ Ta 1210.17;
+ }
+ un-named-reaction-262
+ {
+ type irreversibleArrheniusReaction;
+ reaction "H + CH3CHO = CH3 + H2 + CO";
+ A 2.05e+06;
+ beta 1.16;
+ Ta 1210.17;
+ }
+ un-named-reaction-263
+ {
+ type irreversibleArrheniusReaction;
+ reaction "OH + CH3CHO = CH3 + H2O + CO";
+ A 2.343e+07;
+ beta 0.73;
+ Ta -560.052;
+ }
+ un-named-reaction-264
+ {
+ type irreversibleArrheniusReaction;
+ reaction "HO2 + CH3CHO = CH3 + H2O2 + CO";
+ A 3.01e+09;
+ beta 0;
+ Ta 5999.55;
+ }
+ un-named-reaction-265
+ {
+ type irreversibleArrheniusReaction;
+ reaction "CH3 + CH3CHO = CH3 + CH4 + CO";
+ A 2720;
+ beta 1.77;
+ Ta 2978.89;
+ }
+ un-named-reaction-266
+ {
+ type irreversibleArrheniusReaction;
+ reaction "O + CH2CHO = H + CH2 + CO2";
+ A 1.5e+11;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-267
+ {
+ type irreversibleArrheniusReaction;
+ reaction "O2 + CH2CHO = OH + CO + CH2O";
+ A 1.81e+07;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-268
+ {
+ type irreversibleArrheniusReaction;
+ reaction "O2 + CH2CHO = OH + 2HCO";
+ A 2.35e+07;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-269
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + CH2CHO = CH3 + HCO";
+ A 2.2e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-270
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + CH2CHO = CH2CO + H2";
+ A 1.1e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-271
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + CH2CHO = H2O + CH2CO";
+ A 1.2e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-272
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + CH2CHO = HCO + CH2OH";
+ A 3.01e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-273
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + C3H8 = OH + C3H7";
+ A 193;
+ beta 2.68;
+ Ta 1869.86;
+ }
+ un-named-reaction-274
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + C3H8 = C3H7 + H2";
+ A 1320;
+ beta 2.54;
+ Ta 3399.56;
+ }
+ un-named-reaction-275
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + C3H8 = C3H7 + H2O";
+ A 31600;
+ beta 1.8;
+ Ta 469.981;
+ }
+ un-named-reaction-276
+ {
+ type reversibleArrheniusReaction;
+ reaction "C3H7 + H2O2 = HO2 + C3H8";
+ A 0.378;
+ beta 2.72;
+ Ta 754.787;
+ }
+ un-named-reaction-277
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH3 + C3H8 = C3H7 + CH4";
+ A 0.000903;
+ beta 3.65;
+ Ta 3599.83;
+ }
+ un-named-reaction-278
+ {
+ type reversibleArrheniusReaction;
+ reaction "O + C3H7 = C2H5 + CH2O";
+ A 9.64e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-279
+ {
+ type reversibleArrheniusReaction;
+ reaction "H + C3H7 = CH3 + C2H5";
+ A 4060;
+ beta 2.19;
+ Ta 447.84;
+ }
+ un-named-reaction-280
+ {
+ type reversibleArrheniusReaction;
+ reaction "OH + C3H7 = C2H5 + CH2OH";
+ A 2.41e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-281
+ {
+ type reversibleArrheniusReaction;
+ reaction "HO2 + C3H7 = O2 + C3H8";
+ A 2.55e+07;
+ beta 0.255;
+ Ta -474.509;
+ }
+ un-named-reaction-282
+ {
+ type irreversibleArrheniusReaction;
+ reaction "HO2 + C3H7 = OH + C2H5 + CH2O";
+ A 2.41e+10;
+ beta 0;
+ Ta 0;
+ }
+ un-named-reaction-283
+ {
+ type reversibleArrheniusReaction;
+ reaction "CH3 + C3H7 = 2C2H5";
+ A 1.927e+10;
+ beta -0.32;
+ Ta 0;
+ }
+ un-named-reaction-284
+ {
+ type reversiblethirdBodyArrheniusReaction;
+ reaction "2O = O2";
+ A 1.2e+11;
+ beta -1;
+ Ta 0;
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2.4)
+(O 1)
+(OH 1)
+(H2O 15.4)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.75)
+(CO2 3.6)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.83)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ un-named-reaction-285
+ {
+ type reversiblethirdBodyArrheniusReaction;
+ reaction "O + H = OH";
+ A 5e+11;
+ beta -1;
+ Ta 0;
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ un-named-reaction-286
+ {
+ type reversiblethirdBodyArrheniusReaction;
+ reaction "H + O2 = HO2";
+ A 2.8e+12;
+ beta -0.86;
+ Ta 0;
+ coeffs
+53
+(
+(CH4 1)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 0)
+(H2 1)
+(O 1)
+(OH 1)
+(H2O 0)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 0.75)
+(CO2 1.5)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 1.5)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 0)
+(AR 0)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ un-named-reaction-287
+ {
+ type reversiblethirdBodyArrheniusReaction;
+ reaction "2H = H2";
+ A 1e+12;
+ beta -1;
+ Ta 0;
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 0)
+(O 1)
+(OH 1)
+(H2O 0)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1)
+(CO2 0)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.63)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ un-named-reaction-288
+ {
+ type reversiblethirdBodyArrheniusReaction;
+ reaction "H + OH = H2O";
+ A 2.2e+16;
+ beta -2;
+ Ta 0;
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 0.73)
+(O 1)
+(OH 1)
+(H2O 3.65)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1)
+(CO2 1)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.38)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ un-named-reaction-289
+ {
+ type reversiblethirdBodyArrheniusReaction;
+ reaction "HCO = H + CO";
+ A 1.87e+14;
+ beta -1;
+ Ta 8554.25;
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 0)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 1)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ un-named-reaction-290
+ {
+ type reversiblethirdBodyArrheniusReaction;
+ reaction "NO + O = NO2";
+ A 1.06e+14;
+ beta -1.41;
+ Ta 0;
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ un-named-reaction-291
+ {
+ type reversiblethirdBodyArrheniusReaction;
+ reaction "NNH = N2 + H";
+ A 1.3e+11;
+ beta -0.11;
+ Ta 2505.89;
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ un-named-reaction-292
+ {
+ type reversiblethirdBodyArrheniusReaction;
+ reaction "H + NO = HNO";
+ A 4.48e+13;
+ beta -1.32;
+ Ta 372.362;
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ un-named-reaction-293
+ {
+ type reversiblethirdBodyArrheniusReaction;
+ reaction "NCO = N + CO";
+ A 3.1e+11;
+ beta 0;
+ Ta 27197.5;
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ un-named-reaction-294
+ {
+ type reversiblethirdBodyArrheniusReaction;
+ reaction "HCN = H + CN";
+ A 1.04e+26;
+ beta -3.3;
+ Ta 63704;
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ un-named-reaction-295
+ {
+ type reversiblethirdBodyArrheniusReaction;
+ reaction "HNCO = NH + CO";
+ A 1.18e+13;
+ beta 0;
+ Ta 42630.4;
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ un-named-reaction-296
+ {
+ type reversibleArrheniusLindemannFallOffReaction;
+ reaction "O + CO = CO2";
+ k0
+ {
+ A 6.02e+08;
+ beta 0;
+ Ta 1509.57;
+ }
+ kInf
+ {
+ A 1.8e+07;
+ beta 0;
+ Ta 1200.11;
+ }
+ F
+ {
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 6)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 3.5)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.5)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-297
+ {
+ type reversibleArrheniusTroeFallOffReaction;
+ reaction "H + CH2 = CH3";
+ k0
+ {
+ A 1.04e+20;
+ beta -2.76;
+ Ta 805.106;
+ }
+ kInf
+ {
+ A 6e+11;
+ beta 0;
+ Ta 0;
+ }
+ F
+ {
+ alpha 0.562;
+ Tsss 91;
+ Ts 5836;
+ Tss 8552;
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-298
+ {
+ type reversibleArrheniusTroeFallOffReaction;
+ reaction "H + CH3 = CH4";
+ k0
+ {
+ A 2.62e+27;
+ beta -4.76;
+ Ta 1227.79;
+ }
+ kInf
+ {
+ A 1.39e+13;
+ beta -0.534;
+ Ta 269.711;
+ }
+ F
+ {
+ alpha 0.783;
+ Tsss 74;
+ Ts 2941;
+ Tss 6964;
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 3)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-299
+ {
+ type reversibleArrheniusTroeFallOffReaction;
+ reaction "H + HCO = CH2O";
+ k0
+ {
+ A 2.47e+18;
+ beta -2.57;
+ Ta 213.856;
+ }
+ kInf
+ {
+ A 1.09e+09;
+ beta 0.48;
+ Ta -130.83;
+ }
+ F
+ {
+ alpha 0.7824;
+ Tsss 271;
+ Ts 2755;
+ Tss 6570;
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-300
+ {
+ type reversibleArrheniusTroeFallOffReaction;
+ reaction "H + CH2O = CH2OH";
+ k0
+ {
+ A 1.27e+26;
+ beta -4.82;
+ Ta 3285.84;
+ }
+ kInf
+ {
+ A 5.4e+08;
+ beta 0.454;
+ Ta 1811.49;
+ }
+ F
+ {
+ alpha 0.7187;
+ Tsss 103;
+ Ts 1291;
+ Tss 4160;
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 1)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-301
+ {
+ type reversibleArrheniusTroeFallOffReaction;
+ reaction "H + CH2OH = CH3OH";
+ k0
+ {
+ A 4.36e+25;
+ beta -4.65;
+ Ta 2556.21;
+ }
+ kInf
+ {
+ A 1.055e+09;
+ beta 0.5;
+ Ta 43.2744;
+ }
+ F
+ {
+ alpha 0.6;
+ Tsss 100;
+ Ts 90000;
+ Tss 10000;
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 1)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-302
+ {
+ type reversibleArrheniusTroeFallOffReaction;
+ reaction "H + CH3O = CH3OH";
+ k0
+ {
+ A 4.66e+35;
+ beta -7.44;
+ Ta 7084.93;
+ }
+ kInf
+ {
+ A 2.43e+09;
+ beta 0.515;
+ Ta 25.1596;
+ }
+ F
+ {
+ alpha 0.7;
+ Tsss 100;
+ Ts 90000;
+ Tss 10000;
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 1)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-303
+ {
+ type reversibleArrheniusTroeFallOffReaction;
+ reaction "H + C2H = C2H2";
+ k0
+ {
+ A 3.75e+27;
+ beta -4.8;
+ Ta 956.063;
+ }
+ kInf
+ {
+ A 1e+14;
+ beta -1;
+ Ta 0;
+ }
+ F
+ {
+ alpha 0.6464;
+ Tsss 132;
+ Ts 1315;
+ Tss 5566;
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-304
+ {
+ type reversibleArrheniusTroeFallOffReaction;
+ reaction "H + C2H2 = C2H3";
+ k0
+ {
+ A 3.8e+34;
+ beta -7.27;
+ Ta 3633.04;
+ }
+ kInf
+ {
+ A 5.6e+09;
+ beta 0;
+ Ta 1207.66;
+ }
+ F
+ {
+ alpha 0.7507;
+ Tsss 98.5;
+ Ts 1302;
+ Tss 4167;
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-305
+ {
+ type reversibleArrheniusTroeFallOffReaction;
+ reaction "H + C2H3 = C2H4";
+ k0
+ {
+ A 1.4e+24;
+ beta -3.86;
+ Ta 1670.59;
+ }
+ kInf
+ {
+ A 6.08e+09;
+ beta 0.27;
+ Ta 140.894;
+ }
+ F
+ {
+ alpha 0.782;
+ Tsss 207.5;
+ Ts 2663;
+ Tss 6095;
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-306
+ {
+ type reversibleArrheniusTroeFallOffReaction;
+ reaction "H + C2H4 = C2H5";
+ k0
+ {
+ A 6e+35;
+ beta -7.62;
+ Ta 3507.24;
+ }
+ kInf
+ {
+ A 5.4e+08;
+ beta 0.454;
+ Ta 915.808;
+ }
+ F
+ {
+ alpha 0.9753;
+ Tsss 210;
+ Ts 984;
+ Tss 4374;
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-307
+ {
+ type reversibleArrheniusTroeFallOffReaction;
+ reaction "H + C2H5 = C2H6";
+ k0
+ {
+ A 1.99e+35;
+ beta -7.08;
+ Ta 3363.83;
+ }
+ kInf
+ {
+ A 5.21e+14;
+ beta -0.99;
+ Ta 795.042;
+ }
+ F
+ {
+ alpha 0.8422;
+ Tsss 125;
+ Ts 2219;
+ Tss 6882;
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-308
+ {
+ type reversibleArrheniusTroeFallOffReaction;
+ reaction "H2 + CO = CH2O";
+ k0
+ {
+ A 5.07e+21;
+ beta -3.42;
+ Ta 42444.2;
+ }
+ kInf
+ {
+ A 43000;
+ beta 1.5;
+ Ta 40054;
+ }
+ F
+ {
+ alpha 0.932;
+ Tsss 197;
+ Ts 1540;
+ Tss 10300;
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-309
+ {
+ type reversibleArrheniusTroeFallOffReaction;
+ reaction "2OH = H2O2";
+ k0
+ {
+ A 2.3e+12;
+ beta -0.9;
+ Ta -855.425;
+ }
+ kInf
+ {
+ A 7.4e+10;
+ beta -0.37;
+ Ta 0;
+ }
+ F
+ {
+ alpha 0.7346;
+ Tsss 94;
+ Ts 1756;
+ Tss 5182;
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-310
+ {
+ type reversibleArrheniusTroeFallOffReaction;
+ reaction "OH + CH3 = CH3OH";
+ k0
+ {
+ A 4e+30;
+ beta -5.92;
+ Ta 1580.02;
+ }
+ kInf
+ {
+ A 2.79e+15;
+ beta -1.43;
+ Ta 669.244;
+ }
+ F
+ {
+ alpha 0.412;
+ Tsss 195;
+ Ts 5900;
+ Tss 6394;
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 1)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-311
+ {
+ type reversibleArrheniusTroeFallOffReaction;
+ reaction "CH + CO = HCCO";
+ k0
+ {
+ A 2.69e+22;
+ beta -3.74;
+ Ta 974.178;
+ }
+ kInf
+ {
+ A 5e+10;
+ beta 0;
+ Ta 0;
+ }
+ F
+ {
+ alpha 0.5757;
+ Tsss 237;
+ Ts 1652;
+ Tss 5069;
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-312
+ {
+ type reversibleArrheniusTroeFallOffReaction;
+ reaction "CH2 + CO = CH2CO";
+ k0
+ {
+ A 2.69e+27;
+ beta -5.11;
+ Ta 3570.14;
+ }
+ kInf
+ {
+ A 8.1e+08;
+ beta 0.5;
+ Ta 2269.39;
+ }
+ F
+ {
+ alpha 0.5907;
+ Tsss 275;
+ Ts 1226;
+ Tss 5185;
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-313
+ {
+ type reversibleArrheniusTroeFallOffReaction;
+ reaction "CH2(S) + H2O = CH3OH";
+ k0
+ {
+ A 1.88e+32;
+ beta -6.36;
+ Ta 2536.08;
+ }
+ kInf
+ {
+ A 4.82e+14;
+ beta -1.16;
+ Ta 576.154;
+ }
+ F
+ {
+ alpha 0.6027;
+ Tsss 208;
+ Ts 3922;
+ Tss 10180;
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 1)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-314
+ {
+ type reversibleArrheniusTroeFallOffReaction;
+ reaction "2CH3 = C2H6";
+ k0
+ {
+ A 3.4e+35;
+ beta -7.03;
+ Ta 1389.81;
+ }
+ kInf
+ {
+ A 6.77e+13;
+ beta -1.18;
+ Ta 329.087;
+ }
+ F
+ {
+ alpha 0.619;
+ Tsss 73.2;
+ Ts 1180;
+ Tss 9999;
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-315
+ {
+ type reversibleArrheniusTroeFallOffReaction;
+ reaction "C2H4 = H2 + C2H2";
+ k0
+ {
+ A 1.58e+48;
+ beta -9.3;
+ Ta 49212.1;
+ }
+ kInf
+ {
+ A 8e+12;
+ beta 0.44;
+ Ta 43661.9;
+ }
+ F
+ {
+ alpha 0.7345;
+ Tsss 180;
+ Ts 1035;
+ Tss 5417;
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-316
+ {
+ type reversibleArrheniusLindemannFallOffReaction;
+ reaction "N2O = N2 + O";
+ k0
+ {
+ A 6.37e+11;
+ beta 0;
+ Ta 28500.8;
+ }
+ kInf
+ {
+ A 7.91e+10;
+ beta 0;
+ Ta 28188.8;
+ }
+ F
+ {
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.625)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-317
+ {
+ type reversibleArrheniusLindemannFallOffReaction;
+ reaction "H + HCN = H2CN";
+ k0
+ {
+ A 1.4e+20;
+ beta -3.4;
+ Ta 956.063;
+ }
+ kInf
+ {
+ A 3.3e+10;
+ beta 0;
+ Ta 0;
+ }
+ F
+ {
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-318
+ {
+ type reversibleArrheniusTroeFallOffReaction;
+ reaction "CH + N2 = HCNN";
+ k0
+ {
+ A 1.3e+19;
+ beta -3.16;
+ Ta 372.362;
+ }
+ kInf
+ {
+ A 3.1e+09;
+ beta 0.15;
+ Ta 0;
+ }
+ F
+ {
+ alpha 0.667;
+ Tsss 235;
+ Ts 2117;
+ Tss 4536;
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 1)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-319
+ {
+ type reversibleArrheniusTroeFallOffReaction;
+ reaction "CH + H2 = CH3";
+ k0
+ {
+ A 4.82e+19;
+ beta -2.8;
+ Ta 296.883;
+ }
+ kInf
+ {
+ A 1.97e+09;
+ beta 0.43;
+ Ta -186.181;
+ }
+ F
+ {
+ alpha 0.578;
+ Tsss 122;
+ Ts 2535;
+ Tss 9365;
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-320
+ {
+ type reversibleArrheniusTroeFallOffReaction;
+ reaction "H + CH2CO = CH2CHO";
+ k0
+ {
+ A 1.012e+36;
+ beta -7.63;
+ Ta 1939.3;
+ }
+ kInf
+ {
+ A 4.865e+08;
+ beta 0.422;
+ Ta -883.101;
+ }
+ F
+ {
+ alpha 0.465;
+ Tsss 201;
+ Ts 1773;
+ Tss 5333;
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-321
+ {
+ type reversibleArrheniusTroeFallOffReaction;
+ reaction "CH3 + C2H5 = C3H8";
+ k0
+ {
+ A 2.71e+68;
+ beta -16.82;
+ Ta 6574.19;
+ }
+ kInf
+ {
+ A 9.43e+09;
+ beta 0;
+ Ta 0;
+ }
+ F
+ {
+ alpha 0.1527;
+ Tsss 291;
+ Ts 2742;
+ Tss 7748;
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-322
+ {
+ type reversibleArrheniusTroeFallOffReaction;
+ reaction "CH3 + C2H4 = C3H7";
+ k0
+ {
+ A 3e+57;
+ beta -14.6;
+ Ta 9142.98;
+ }
+ kInf
+ {
+ A 2550;
+ beta 1.6;
+ Ta 2868.19;
+ }
+ F
+ {
+ alpha 0.1894;
+ Tsss 277;
+ Ts 8748;
+ Tss 7891;
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-323
+ {
+ type reversibleArrheniusTroeFallOffReaction;
+ reaction "H + C3H7 = C3H8";
+ k0
+ {
+ A 4.42e+55;
+ beta -13.545;
+ Ta 5714.74;
+ }
+ kInf
+ {
+ A 3.613e+10;
+ beta 0;
+ Ta 0;
+ }
+ F
+ {
+ alpha 0.315;
+ Tsss 369;
+ Ts 3285;
+ Tss 6667;
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 0.7)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+ un-named-reaction-324
+ {
+ type reversibleArrheniusTroeFallOffReaction;
+ reaction "H + CH2O = CH3O";
+ k0
+ {
+ A 2.2e+24;
+ beta -4.8;
+ Ta 2797.74;
+ }
+ kInf
+ {
+ A 5.4e+08;
+ beta 0.454;
+ Ta 1308.3;
+ }
+ F
+ {
+ alpha 0.758;
+ Tsss 94;
+ Ts 1555;
+ Tss 4200;
+ }
+ thirdBodyEfficiencies
+ {
+ coeffs
+53
+(
+(CH4 2)
+(CH2O 1)
+(CH3O 1)
+(H 1)
+(O2 1)
+(H2 2)
+(O 1)
+(OH 1)
+(H2O 6)
+(HO2 1)
+(H2O2 1)
+(C 1)
+(CH 1)
+(CH2 1)
+(CH2(S) 1)
+(CH3 1)
+(CO 1.5)
+(CO2 2)
+(HCO 1)
+(CH2OH 1)
+(CH3OH 1)
+(C2H 1)
+(C2H2 1)
+(C2H3 1)
+(C2H4 1)
+(C2H5 1)
+(C2H6 3)
+(HCCO 1)
+(CH2CO 1)
+(HCCOH 1)
+(N 1)
+(NH 1)
+(NH2 1)
+(NH3 1)
+(NNH 1)
+(NO 1)
+(NO2 1)
+(N2O 1)
+(HNO 1)
+(CN 1)
+(HCN 1)
+(H2CN 1)
+(HCNN 1)
+(HCNO 1)
+(HOCN 1)
+(HNCO 1)
+(NCO 1)
+(N2 1)
+(AR 1)
+(C3H7 1)
+(C3H8 1)
+(CH2CHO 1)
+(CH3CHO 1)
+)
+;
+ }
+ }
+}
diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermo.compressibleGas b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermo.compressibleGas
new file mode 100644
index 0000000000..33208fc6c0
--- /dev/null
+++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermo.compressibleGas
@@ -0,0 +1,152 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: 3.0.x |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class dictionary;
+ location "constant";
+ object thermo.compressibleGas;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+O2
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 31.9988;
+ }
+ elements
+ {
+ O 2;
+ }
+ thermodynamics
+ {
+ Tlow 200;
+ Thigh 5000;
+ Tcommon 1000;
+ highCpCoeffs ( 3.69758 0.00061352 -1.25884e-07 1.77528e-11 -1.13644e-15 -1233.93 3.18917 );
+ lowCpCoeffs ( 3.21294 0.00112749 -5.75615e-07 1.31388e-09 -8.76855e-13 -1005.25 6.03474 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+}
+
+H2O
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 18.0153;
+ }
+ elements
+ {
+ O 1;
+ H 2;
+ }
+ thermodynamics
+ {
+ Tlow 200;
+ Thigh 5000;
+ Tcommon 1000;
+ highCpCoeffs ( 2.67215 0.00305629 -8.73026e-07 1.201e-10 -6.39162e-15 -29899.2 6.86282 );
+ lowCpCoeffs ( 3.38684 0.00347498 -6.3547e-06 6.96858e-09 -2.50659e-12 -30208.1 2.59023 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+}
+
+CH4
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 16.0428;
+ }
+ elements
+ {
+ C 1;
+ H 4;
+ }
+ thermodynamics
+ {
+ Tlow 200;
+ Thigh 6000;
+ Tcommon 1000;
+ highCpCoeffs ( 1.63543 0.0100844 -3.36924e-06 5.34973e-10 -3.15528e-14 -10005.6 9.9937 );
+ lowCpCoeffs ( 5.14988 -0.013671 4.91801e-05 -4.84744e-08 1.66694e-11 -10246.6 -4.64132 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+}
+
+CO2
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 44.01;
+ }
+ elements
+ {
+ C 1;
+ O 2;
+ }
+ thermodynamics
+ {
+ Tlow 200;
+ Thigh 5000;
+ Tcommon 1000;
+ highCpCoeffs ( 4.45362 0.00314017 -1.27841e-06 2.394e-10 -1.66903e-14 -48967 -0.955396 );
+ lowCpCoeffs ( 2.27572 0.00992207 -1.04091e-05 6.86669e-09 -2.11728e-12 -48373.1 10.1885 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+}
+
+N2
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 28.0134;
+ }
+ elements
+ {
+ N 2;
+ }
+ thermodynamics
+ {
+ Tlow 200;
+ Thigh 5000;
+ Tcommon 1000;
+ highCpCoeffs ( 2.92664 0.00148798 -5.68476e-07 1.0097e-10 -6.75335e-15 -922.798 5.98053 );
+ lowCpCoeffs ( 3.29868 0.00140824 -3.96322e-06 5.64152e-09 -2.44486e-12 -1020.9 3.95037 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermo.compressibleGasGRI b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermo.compressibleGasGRI
new file mode 100644
index 0000000000..00d5cd86dc
--- /dev/null
+++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermo.compressibleGasGRI
@@ -0,0 +1,1391 @@
+OH
+{
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+ {
+ nMoles 1;
+ molWeight 17.0074;
+ }
+ thermodynamics
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+ Thigh 3500;
+ Tcommon 1000;
+ highCpCoeffs ( 3.09289 0.00054843 1.26505e-07 -8.79462e-11 1.17412e-14 3858.66 4.4767 );
+ lowCpCoeffs ( 3.99202 -0.00240132 4.61794e-06 -3.88113e-09 1.36411e-12 3615.08 -0.103925 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+ elements
+ {
+ O 1;
+ H 1;
+ }
+}
+CN
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 26.0179;
+ }
+ thermodynamics
+ {
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+ Thigh 6000;
+ Tcommon 1000;
+ highCpCoeffs ( 3.74598 4.34508e-05 2.9706e-07 -6.86518e-11 4.41342e-15 51536.2 2.78676 );
+ lowCpCoeffs ( 3.61294 -0.000955513 2.1443e-06 -3.15163e-10 -4.64304e-13 51708.3 3.9805 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+ elements
+ {
+ C 1;
+ N 1;
+ }
+}
+C2H3
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 27.0462;
+ }
+ thermodynamics
+ {
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+ Thigh 3500;
+ Tcommon 1000;
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+ As 1.67212e-06;
+ Ts 170.672;
+ }
+ elements
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+ C 2;
+ H 3;
+ }
+}
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+{
+ specie
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+ nMoles 1;
+ molWeight 28.0134;
+ }
+ thermodynamics
+ {
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+ Thigh 5000;
+ Tcommon 1000;
+ highCpCoeffs ( 2.92664 0.00148798 -5.68476e-07 1.0097e-10 -6.75335e-15 -922.798 5.98053 );
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+ Ts 170.672;
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+}
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+{
+ specie
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+ thermodynamics
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+ }
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+}
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+ specie
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+ Thigh 6000;
+ Tcommon 1000;
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+ lowCpCoeffs ( 2.5 0 0 0 0 56104.6 4.19391 );
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+ transport
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+ As 1.67212e-06;
+ Ts 170.672;
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+ elements
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+}
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+}
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+ As 1.67212e-06;
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+}
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+}
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+{
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+ {
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+}
+HCN
+{
+ specie
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+ thermodynamics
+ {
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+}
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+{
+ specie
+ {
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+ {
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+ As 1.67212e-06;
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+{
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+}
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+{
+ specie
+ {
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+ thermodynamics
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+ As 1.67212e-06;
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+{
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+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
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+ elements
+ {
+ C 2;
+ H 2;
+ }
+}
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+{
+ specie
+ {
+ nMoles 1;
+ molWeight 31.0345;
+ }
+ thermodynamics
+ {
+ Tlow 200;
+ Thigh 3500;
+ Tcommon 1000;
+ highCpCoeffs ( 3.69267 0.00864577 -3.75101e-06 7.87235e-10 -6.48554e-14 -3242.51 5.81043 );
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+ As 1.67212e-06;
+ Ts 170.672;
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+ C 1;
+ H 3;
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+}
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+{
+ specie
+ {
+ nMoles 1;
+ molWeight 28.0338;
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+ thermodynamics
+ {
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+ As 1.67212e-06;
+ Ts 170.672;
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+ elements
+ {
+ H 2;
+ C 1;
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+}
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+{
+ specie
+ {
+ nMoles 1;
+ molWeight 42.0376;
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+ thermodynamics
+ {
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+ {
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+ thermodynamics
+ {
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+ As 1.67212e-06;
+ Ts 170.672;
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+{
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+ {
+ nMoles 1;
+ molWeight 29.0185;
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+ thermodynamics
+ {
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+ Tcommon 1000;
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+ As 1.67212e-06;
+ Ts 170.672;
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+ H 1;
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+{
+ specie
+ {
+ nMoles 1;
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+ thermodynamics
+ {
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+ Tcommon 1000;
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+ As 1.67212e-06;
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+ N 2;
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+{
+ specie
+ {
+ nMoles 1;
+ molWeight 44.0128;
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+ thermodynamics
+ {
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+ Tcommon 1000;
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+ {
+ As 1.67212e-06;
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+ {
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+{
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+ {
+ nMoles 1;
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+ thermodynamics
+ {
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+ Tcommon 1000;
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+ As 1.67212e-06;
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+ C 1;
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+}
+O2
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 31.9988;
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+ thermodynamics
+ {
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+ Tcommon 1000;
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+ As 1.67212e-06;
+ Ts 170.672;
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+ {
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+}
+CH2CHO
+{
+ specie
+ {
+ nMoles 1;
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+ thermodynamics
+ {
+ Tlow 200;
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+ {
+ As 1.67212e-06;
+ Ts 170.672;
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+ O 1;
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+}
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+{
+ specie
+ {
+ nMoles 1;
+ molWeight 43.0252;
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+ thermodynamics
+ {
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+ As 1.67212e-06;
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+}
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+{
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+ {
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+ As 1.67212e-06;
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+}
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+{
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+ As 1.67212e-06;
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+}
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+{
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+ As 1.67212e-06;
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+}
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+{
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+ thermodynamics
+ {
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+ Thigh 3500;
+ Tcommon 1000;
+ highCpCoeffs ( 0.0748515 0.0133909 -5.73286e-06 1.22293e-09 -1.01815e-13 -9468.34 18.4373 );
+ lowCpCoeffs ( 5.14988 -0.013671 4.91801e-05 -4.84743e-08 1.66694e-11 -10246.6 -4.6413 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+ elements
+ {
+ C 1;
+ H 4;
+ }
+}
+C
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 12.0112;
+ }
+ thermodynamics
+ {
+ Tlow 200;
+ Thigh 3500;
+ Tcommon 1000;
+ highCpCoeffs ( 2.49267 4.79889e-05 -7.24335e-08 3.74291e-11 -4.87278e-15 85451.3 4.8015 );
+ lowCpCoeffs ( 2.55424 -0.000321538 7.33792e-07 -7.32235e-10 2.66521e-13 85443.9 4.53131 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+ elements
+ {
+ C 1;
+ }
+}
+HO2
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 33.0068;
+ }
+ thermodynamics
+ {
+ Tlow 200;
+ Thigh 3500;
+ Tcommon 1000;
+ highCpCoeffs ( 4.01721 0.00223982 -6.33658e-07 1.14246e-10 -1.07909e-14 111.857 3.7851 );
+ lowCpCoeffs ( 4.3018 -0.00474912 2.11583e-05 -2.42764e-08 9.29225e-12 294.808 3.71666 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+ elements
+ {
+ H 1;
+ O 2;
+ }
+}
+CH3CHO
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 44.0536;
+ }
+ thermodynamics
+ {
+ Tlow 200;
+ Thigh 6000;
+ Tcommon 1000;
+ highCpCoeffs ( 5.40411 0.0117231 -4.22631e-06 6.83725e-10 -4.09849e-14 -22593.1 -3.48079 );
+ lowCpCoeffs ( 4.72946 -0.00319329 4.75349e-05 -5.74586e-08 2.19311e-11 -21572.9 4.10302 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+ elements
+ {
+ C 2;
+ H 4;
+ O 1;
+ }
+}
+C3H7
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 43.0892;
+ }
+ thermodynamics
+ {
+ Tlow 200;
+ Thigh 5000;
+ Tcommon 1000;
+ highCpCoeffs ( 7.7027 0.0160442 -5.28332e-06 7.62986e-10 -3.93923e-14 8298.43 -15.4802 );
+ lowCpCoeffs ( 1.05155 0.025992 2.38005e-06 -1.96096e-08 9.37325e-12 10631.9 21.1226 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+ elements
+ {
+ C 3;
+ H 7;
+ }
+}
+CH3OH
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 32.0424;
+ }
+ thermodynamics
+ {
+ Tlow 200;
+ Thigh 3500;
+ Tcommon 1000;
+ highCpCoeffs ( 1.78971 0.0140938 -6.36501e-06 1.38171e-09 -1.1706e-13 -25374.9 14.5024 );
+ lowCpCoeffs ( 5.7154 -0.0152309 6.52441e-05 -7.10807e-08 2.61353e-11 -25642.8 -1.5041 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+ elements
+ {
+ C 1;
+ H 4;
+ O 1;
+ }
+}
+CH2O
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 30.0265;
+ }
+ thermodynamics
+ {
+ Tlow 200;
+ Thigh 3500;
+ Tcommon 1000;
+ highCpCoeffs ( 1.76069 0.0092 -4.42259e-06 1.00641e-09 -8.83856e-14 -13995.8 13.6563 );
+ lowCpCoeffs ( 4.79372 -0.00990833 3.7322e-05 -3.79285e-08 1.31773e-11 -14309 0.602813 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+ elements
+ {
+ H 2;
+ C 1;
+ O 1;
+ }
+}
+CO
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 28.0106;
+ }
+ thermodynamics
+ {
+ Tlow 200;
+ Thigh 3500;
+ Tcommon 1000;
+ highCpCoeffs ( 2.71519 0.00206253 -9.98826e-07 2.30053e-10 -2.03648e-14 -14151.9 7.81869 );
+ lowCpCoeffs ( 3.57953 -0.000610354 1.01681e-06 9.07006e-10 -9.04424e-13 -14344.1 3.50841 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+ elements
+ {
+ C 1;
+ O 1;
+ }
+}
+CH3O
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 31.0345;
+ }
+ thermodynamics
+ {
+ Tlow 200;
+ Thigh 3000;
+ Tcommon 1000;
+ highCpCoeffs ( 3.7708 0.0078715 -2.65638e-06 3.94443e-10 -2.11262e-14 127.833 2.92957 );
+ lowCpCoeffs ( 2.1062 0.0072166 5.33847e-06 -7.37764e-09 2.07561e-12 978.601 13.1522 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+ elements
+ {
+ C 1;
+ H 3;
+ O 1;
+ }
+}
+O
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 15.9994;
+ }
+ thermodynamics
+ {
+ Tlow 200;
+ Thigh 3500;
+ Tcommon 1000;
+ highCpCoeffs ( 2.56942 -8.59741e-05 4.19485e-08 -1.00178e-11 1.22834e-15 29217.6 4.78434 );
+ lowCpCoeffs ( 3.16827 -0.00327932 6.64306e-06 -6.12807e-09 2.11266e-12 29122.3 2.05193 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+ elements
+ {
+ O 1;
+ }
+}
+HCNN
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 41.0325;
+ }
+ thermodynamics
+ {
+ Tlow 200;
+ Thigh 5000;
+ Tcommon 1000;
+ highCpCoeffs ( 5.89464 0.0039896 -1.59824e-06 2.92494e-10 -2.00947e-14 53452.9 -5.10305 );
+ lowCpCoeffs ( 2.52432 0.0159606 -1.88164e-05 1.21255e-08 -3.23574e-12 54262 11.6759 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+ elements
+ {
+ C 1;
+ N 2;
+ H 1;
+ }
+}
+NCO
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 42.0173;
+ }
+ thermodynamics
+ {
+ Tlow 200;
+ Thigh 6000;
+ Tcommon 1000;
+ highCpCoeffs ( 5.15218 0.00230518 -8.80332e-07 1.47891e-10 -9.0978e-15 14004.1 -2.54427 );
+ lowCpCoeffs ( 2.82693 0.00880517 -8.38661e-06 4.8017e-09 -1.33136e-12 14682.5 9.55046 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+ elements
+ {
+ N 1;
+ C 1;
+ O 1;
+ }
+}
+CH2
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 14.0271;
+ }
+ thermodynamics
+ {
+ Tlow 200;
+ Thigh 3500;
+ Tcommon 1000;
+ highCpCoeffs ( 2.8741 0.00365639 -1.40895e-06 2.6018e-10 -1.87728e-14 46263.6 6.17119 );
+ lowCpCoeffs ( 3.76268 0.000968872 2.7949e-06 -3.85091e-09 1.68742e-12 46004 1.56253 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+ elements
+ {
+ C 1;
+ H 2;
+ }
+}
+HCNO
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 43.0252;
+ }
+ thermodynamics
+ {
+ Tlow 200;
+ Thigh 5000;
+ Tcommon 1382;
+ highCpCoeffs ( 6.5986 0.00302779 -1.07704e-06 1.71667e-10 -1.01439e-14 17966.1 -10.3307 );
+ lowCpCoeffs ( 2.64728 0.0127505 -1.04794e-05 4.41433e-09 -7.57521e-13 19299 10.7333 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+ elements
+ {
+ H 1;
+ N 1;
+ C 1;
+ O 1;
+ }
+}
+NH2
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 16.0226;
+ }
+ thermodynamics
+ {
+ Tlow 200;
+ Thigh 6000;
+ Tcommon 1000;
+ highCpCoeffs ( 2.83474 0.00320731 -9.33908e-07 1.3703e-10 -7.92061e-15 22172 6.52042 );
+ lowCpCoeffs ( 4.204 -0.00210614 7.10683e-06 -5.61152e-09 1.64407e-12 21885.9 -0.141842 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+ elements
+ {
+ N 1;
+ H 2;
+ }
+}
+H2O
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 18.0153;
+ }
+ thermodynamics
+ {
+ Tlow 200;
+ Thigh 3500;
+ Tcommon 1000;
+ highCpCoeffs ( 3.03399 0.00217692 -1.64073e-07 -9.7042e-11 1.68201e-14 -30004.3 4.96677 );
+ lowCpCoeffs ( 4.19864 -0.00203643 6.5204e-06 -5.48797e-09 1.77198e-12 -30293.7 -0.849032 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+ elements
+ {
+ H 2;
+ O 1;
+ }
+}
+NH
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 15.0147;
+ }
+ thermodynamics
+ {
+ Tlow 200;
+ Thigh 6000;
+ Tcommon 1000;
+ highCpCoeffs ( 2.78369 0.00132984 -4.2478e-07 7.83485e-11 -5.50445e-15 42120.8 5.74078 );
+ lowCpCoeffs ( 3.49291 0.000311792 -1.48905e-06 2.48164e-09 -1.0357e-12 41880.6 1.84833 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+ elements
+ {
+ N 1;
+ H 1;
+ }
+}
+H
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 1.00797;
+ }
+ thermodynamics
+ {
+ Tlow 200;
+ Thigh 3500;
+ Tcommon 1000;
+ highCpCoeffs ( 2.5 -2.30843e-11 1.61562e-14 -4.73515e-18 4.98197e-22 25473.7 -0.446683 );
+ lowCpCoeffs ( 2.5 7.05333e-13 -1.99592e-15 2.30082e-18 -9.27732e-22 25473.7 -0.446683 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+ elements
+ {
+ H 1;
+ }
+}
+AR
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 39.948;
+ }
+ thermodynamics
+ {
+ Tlow 200;
+ Thigh 5000;
+ Tcommon 1000;
+ highCpCoeffs ( 2.5 0 0 0 0 -745.375 4.366 );
+ lowCpCoeffs ( 2.5 0 0 0 0 -745.375 4.366 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+ elements
+ {
+ Ar 1;
+ }
+}
+NO
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 30.0061;
+ }
+ thermodynamics
+ {
+ Tlow 200;
+ Thigh 6000;
+ Tcommon 1000;
+ highCpCoeffs ( 3.26061 0.0011911 -4.2917e-07 6.94577e-11 -4.03361e-15 9920.97 6.3693 );
+ lowCpCoeffs ( 4.21848 -0.00463898 1.1041e-05 -9.33614e-09 2.80358e-12 9844.62 2.28085 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+ elements
+ {
+ N 1;
+ O 1;
+ }
+}
+CH
+{
+ specie
+ {
+ nMoles 1;
+ molWeight 13.0191;
+ }
+ thermodynamics
+ {
+ Tlow 200;
+ Thigh 3500;
+ Tcommon 1000;
+ highCpCoeffs ( 2.87846 0.000970914 1.44446e-07 -1.30688e-10 1.76079e-14 71012.4 5.48498 );
+ lowCpCoeffs ( 3.48982 0.000323836 -1.68899e-06 3.16217e-09 -1.40609e-12 70797.3 2.08401 );
+ }
+ transport
+ {
+ As 1.67212e-06;
+ Ts 170.672;
+ }
+ elements
+ {
+ C 1;
+ H 1;
+ }
+}
diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermophysicalProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermophysicalProperties
new file mode 100644
index 0000000000..98c192c7cf
--- /dev/null
+++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/thermophysicalProperties
@@ -0,0 +1,36 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: dev |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class dictionary;
+ location "constant";
+ object thermophysicalProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+thermoType
+{
+ type hePsiThermo;
+ mixture reactingMixture;
+ transport sutherland;
+ thermo janaf;
+ energy sensibleEnthalpy;
+ equationOfState perfectGas;
+ specie specie;
+}
+
+inertSpecie N2;
+
+chemistryReader foamChemistryReader;
+foamChemistryFile "$FOAM_CASE/constant/reactionsGRI";
+foamChemistryThermoFile "$FOAM_CASE/constant/thermo.compressibleGasGRI";
+
+
+// ************************************************************************* //
diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/turbulenceProperties b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/turbulenceProperties
new file mode 100644
index 0000000000..c2c3b28a1b
--- /dev/null
+++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/constant/turbulenceProperties
@@ -0,0 +1,21 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: dev |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class dictionary;
+ location "constant";
+ object turbulenceProperties;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+simulationType laminar;
+
+
+// ************************************************************************* //
diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/system/blockMeshDict b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/system/blockMeshDict
new file mode 100644
index 0000000000..3683ab3388
--- /dev/null
+++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/system/blockMeshDict
@@ -0,0 +1,82 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: dev |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class dictionary;
+ object blockMeshDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+convertToMeters 1;
+
+vertices
+(
+ (0.0 -0.01 -0.01)
+ (0.02 -0.01 -0.01)
+ (0.02 0.01 -0.01)
+ (0.0 0.01 -0.01)
+ (0.0 -0.01 0.01)
+ (0.02 -0.01 0.01)
+ (0.02 0.01 0.01)
+ (0.0 0.01 0.01)
+);
+
+blocks
+(
+ hex (0 1 2 3 4 5 6 7) (100 40 1) simpleGrading (1 1 1)
+);
+
+edges
+(
+);
+
+boundary
+(
+ fuel
+ {
+ type patch;
+ faces
+ (
+ (0 4 7 3)
+ );
+ }
+ air
+ {
+ type patch;
+ faces
+ (
+ (1 2 6 5)
+ );
+ }
+ outlet
+ {
+ type patch;
+ faces
+ (
+ (0 1 5 4)
+ (7 6 2 3)
+ );
+ }
+ frontAndBack
+ {
+ type empty;
+ faces
+ (
+ (4 5 6 7)
+ (0 3 2 1)
+ );
+ }
+);
+
+mergePatchPairs
+(
+);
+
+// ************************************************************************* //
diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/system/controlDict b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/system/controlDict
new file mode 100644
index 0000000000..792dbf2499
--- /dev/null
+++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/system/controlDict
@@ -0,0 +1,48 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: dev |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class dictionary;
+ location "system";
+ object controlDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+application reactingFoam;
+
+startFrom startTime;
+
+startTime 0;
+
+stopAt endTime;
+
+endTime 1000;
+
+deltaT 1;
+
+writeControl runTime;
+
+writeInterval 20;
+
+purgeWrite 0;
+
+writeFormat ascii;
+
+writePrecision 6;
+
+writeCompression off;
+
+timeFormat general;
+
+timePrecision 6;
+
+runTimeModifiable true;
+
+// ************************************************************************* //
diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/system/decomposeParDict b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/system/decomposeParDict
new file mode 100644
index 0000000000..43667b412c
--- /dev/null
+++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/system/decomposeParDict
@@ -0,0 +1,29 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: dev |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class dictionary;
+ note "mesh decomposition control dictionary";
+ object decomposeParDict;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+numberOfSubdomains 4;
+
+method hierarchical;
+
+hierarchicalCoeffs
+{
+ n (2 2 1);
+ delta 0.001;
+ order xyz;
+}
+
+// ************************************************************************* //
diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/system/fvSchemes b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/system/fvSchemes
new file mode 100644
index 0000000000..4eac5336f5
--- /dev/null
+++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/system/fvSchemes
@@ -0,0 +1,57 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: dev |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class dictionary;
+ location "system";
+ object fvSchemes;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+ddtSchemes
+{
+ default localEuler;
+}
+
+gradSchemes
+{
+ default Gauss linear;
+}
+
+divSchemes
+{
+ default none;
+
+ div(phi,U) Gauss limitedLinearV 1;
+ div(phi,Yi_h) Gauss limitedLinear 1;
+ div(phi,K) Gauss limitedLinear 1;
+ div(phid,p) Gauss limitedLinear 1;
+ div(phi,epsilon) Gauss limitedLinear 1;
+ div(phi,k) Gauss limitedLinear 1;
+ div(((rho*nuEff)*dev2(T(grad(U))))) Gauss linear;
+}
+
+laplacianSchemes
+{
+ default Gauss linear orthogonal;
+}
+
+interpolationSchemes
+{
+ default linear;
+}
+
+snGradSchemes
+{
+ default orthogonal;
+}
+
+
+// ************************************************************************* //
diff --git a/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/system/fvSolution b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/system/fvSolution
new file mode 100644
index 0000000000..46519a5a6c
--- /dev/null
+++ b/tutorials/combustion/reactingFoam/laminar/counterFlowFlame2DLTS_GRI_TDAC/system/fvSolution
@@ -0,0 +1,83 @@
+/*--------------------------------*- C++ -*----------------------------------*\
+| ========= | |
+| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
+| \\ / O peration | Version: dev |
+| \\ / A nd | Web: www.OpenFOAM.org |
+| \\/ M anipulation | |
+\*---------------------------------------------------------------------------*/
+FoamFile
+{
+ version 2.0;
+ format ascii;
+ class dictionary;
+ location "system";
+ object fvSolution;
+}
+// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
+
+solvers
+{
+ "rho.*"
+ {
+ solver diagonal;
+ }
+
+ p
+ {
+ solver PCG;
+ preconditioner DIC;
+ tolerance 1e-6;
+ relTol 0.1;
+ }
+
+ pFinal
+ {
+ $p;
+ relTol 0;
+ }
+
+ "(U|h|k|epsilon)"
+ {
+ solver PBiCGStab;
+ preconditioner DILU;
+ tolerance 1e-6;
+ relTol 0.1;
+ }
+
+ "(U|h|k|epsilon)Final"
+ {
+ $U;
+ relTol 0.1;
+ }
+
+ Yi
+ {
+ $U;
+ relTol 0.1;
+ }
+}
+
+PIMPLE
+{
+ momentumPredictor no;
+ nOuterCorrectors 1;
+ nCorrectors 1;
+ nNonOrthogonalCorrectors 0;
+
+ maxDeltaT 1e-4;
+ maxCo 1;
+ alphaTemp 0.05;
+ rDeltaTSmoothingCoeff 1;
+ rDeltaTDampingCoeff 1;
+}
+
+relaxationFactors
+{
+ equations
+ {
+ ".*" 1;
+ }
+}
+
+
+// ************************************************************************* //
--
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