From 9752f4d9cd49474429df6cad161c8d341e588b97 Mon Sep 17 00:00:00 2001 From: craigwhite87 Date: Wed, 1 Mar 2017 10:10:28 +0000 Subject: [PATCH] Add a new chemReactDict to the Orion tutorial --- .../system/chemReactDictReacting | 989 ++++++++++++++++++ 1 file changed, 989 insertions(+) create mode 100644 tutorials/discreteMethods/dsmcFoamPlus/orion107kmNonReactingFlow/system/chemReactDictReacting diff --git a/tutorials/discreteMethods/dsmcFoamPlus/orion107kmNonReactingFlow/system/chemReactDictReacting b/tutorials/discreteMethods/dsmcFoamPlus/orion107kmNonReactingFlow/system/chemReactDictReacting new file mode 100644 index 000000000..ca1ffcc9c --- /dev/null +++ b/tutorials/discreteMethods/dsmcFoamPlus/orion107kmNonReactingFlow/system/chemReactDictReacting @@ -0,0 +1,989 @@ +/*--------------------------------*- C++ -*----------------------------------*\ +| ========= | | +| \\ / F ield | NpenFNAM: The Npen Source CFD Toolbox | +| \\ / N peration | Version: 1.7.1 | +| \\ / A nd | Web: www.NpenFNAM.com | +| \\/ M anipulation | | +\*---------------------------------------------------------------------------*/ +FoamFile +{ + version 2.0; + format ascii; + class dictionary; + location "system"; + object chemReactDict; +} +// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * // + + +reactions +( + + oxygenDissociationIonisation + { + reactionModel dissociationIonisationTypeISameSpecies; + + dissociationIonisationTypeISameSpeciesProperties + { + reactionName oxygenDissociationIonisation1; + reactantMolecules (O2 O2); + productsOfDissociatedMolecule (O O); + productsOfIonisedMolecule (O2+ E-); + heatOfReactionDissociation -59500; //in Kelvin, converted to Joules in the code + heatOfReactionIonisation -140066; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + nitrogenDissociationIonisation + { + reactionModel dissociationIonisationTypeISameSpecies; + + dissociationIonisationTypeISameSpeciesProperties + { + reactionName nitrogenDissociationIonisation1; + reactantMolecules (N2 N2); + productsOfDissociatedMolecule (N N); + productsOfIonisedMolecule (N2+ E-); + heatOfReactionDissociation -113500; //in Kelvin, converted to Joules in the code + heatOfReactionIonisation -180798; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + nitricOxideDissociationIonisation + { + reactionModel dissociationIonisationTypeISameSpecies; + + dissociationIonisationTypeISameSpeciesProperties + { + reactionName nitricOxideDissociationIonisation; + reactantMolecules (NO NO); + productsOfDissociatedMolecule (N O); + productsOfIonisedMolecule (NO+ E-); + heatOfReactionDissociation -75500; //in Kelvin, converted to Joules in the code + heatOfReactionIonisation -107457; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + oxygenDissociationIonisation2 + { + reactionModel dissociationIonisationTypeIDissimilarSpecies; + + dissociationIonisationTypeIDissimilarSpeciesProperties + { + reactionName oxygenDissociationIonisation2; + reactantMolecules (O2 N2); + productsOfDissociatedMolecule ((O O) (N N)); + productsOfIonisedMolecule ((O2+ E-) (N2+ E-)); + heatOfReactionDissociationAB -59500; + heatOfReactionIonisationAB -140066; + heatOfReactionDissociationCD -113500; + heatOfReactionIonisationCD -180798; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + oxygenDissociationIonisation3 + { + reactionModel dissociationIonisationTypeIDissimilarSpecies; + + dissociationIonisationTypeIDissimilarSpeciesProperties + { + reactionName oxygenDissociationIonisation3; + reactantMolecules (O2 NO); + productsOfDissociatedMolecule ((O O) (N O)); + productsOfIonisedMolecule ((O2+ E-) (NO+ E-)); + heatOfReactionDissociationAB -59500; + heatOfReactionIonisationAB -140066; + heatOfReactionDissociationCD -75500; + heatOfReactionIonisationCD -107457; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + nitrogenDissociationIonisation2 + { + reactionModel dissociationIonisationTypeIDissimilarSpecies; + + dissociationIonisationTypeIDissimilarSpeciesProperties + { + reactionName nitrogenDissociationIonisation2; + reactantMolecules (N2 NO); + productsOfDissociatedMolecule ((N N) (N O)); + productsOfIonisedMolecule ((N2+ E-) (NO+ E-)); + heatOfReactionDissociationAB -113500; + heatOfReactionIonisationAB -180798; + heatOfReactionDissociationCD -75500; + heatOfReactionIonisationCD -107457; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + nitrogenDissociationIonisation3 + { + reactionModel moleculeAtomDissociationIonisation; + + moleculeAtomDissociationIonisationProperties + { + reactionName nitrogenDissociationIonisation3; + reactants (N2 N); + productsOfDissociatedMolecule (N N); + productsOfIonisedMolecule (N2+ E-); + productsOfIonisedAtom (N+ E-); + heatOfReactionDissociation -113500; + heatOfReactionIonisationMolecule -180798; + heatOfReactionIonisationAtom -168613; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + oxygenDissociationIonisation4 + { + reactionModel moleculeAtomDissociationIonisation; + + moleculeAtomDissociationIonisationProperties + { + reactionName oxygenDissociationIonisation4; + reactants (O2 O); + productsOfDissociatedMolecule (O O); + productsOfIonisedMolecule (O2+ E-); + productsOfIonisedAtom (O+ E-); + heatOfReactionDissociation -59500; + heatOfReactionIonisationMolecule -140066; + heatOfReactionIonisationAtom -158053; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + exchangeReaction1 + { + reactionModel dissociationIonisationExchange; + + dissociationIonisationExchangeProperties + { + reactionName forwardExchange1; + reactantMolecules (N2 O); + chargedAtom no; + chargedMolecule no; + chargeExchange no; + productsOfExchangeReaction (NO N); + productsOfDissociatedMolecule (N N); + productsOfIonisedMolecule (N2+ E-); + productsOfIonisedAtom (O+ E-); + heatOfReactionDiss -113500; //in Kelvin, converted to Joules in the code + heatOfReactionExch -37483; //in Kelvin, converted to Joules in the code + heatOfReactionIonP -180798; + heatOfReactionIonQ -158053; + aCoeff 0.15; //from QKRates + bCoeff 0.15; //from QKRates + allowSplitting yes; + writeRatesToTerminal no; + } + } + + exchangeReaction2 + { + reactionModel dissociationIonisationExchange; + + dissociationIonisationExchangeProperties + { + reactionName forwardExchange2; + reactantMolecules (NO O); + chargedAtom no; + chargedMolecule no; + chargeExchange no; + productsOfExchangeReaction (O2 N); + productsOfDissociatedMolecule (N O); + productsOfIonisedMolecule (NO+ E-); + productsOfIonisedAtom (O+ E-); + heatOfReactionDiss -75500; //in Kelvin, converted to Joules in the code + heatOfReactionExch -19693; //in Kelvin, converted to Joules in the code + heatOfReactionIonP -107457; + heatOfReactionIonQ -158053; + aCoeff 0.085; //from QKRates + bCoeff 0.65; //from QKRates + allowSplitting yes; + writeRatesToTerminal no; + } + } + + exchangeReaction3 + { + reactionModel dissociationIonisationExchange; + + dissociationIonisationExchangeProperties + { + reactionName reverseExchange1; + reactantMolecules (NO N); + chargedAtom no; + chargedMolecule no; + chargeExchange no; + productsOfExchangeReaction (N2 O); + productsOfDissociatedMolecule (N O); + productsOfIonisedMolecule (NO+ E-); + productsOfIonisedAtom (N+ E-); + heatOfReactionDiss -75544; //in Kelvin, converted to Joules in the code + heatOfReactionExch 37483; //in Kelvin, converted to Joules in the code + heatOfReactionIonP -107457; + heatOfReactionIonQ -168613; + aCoeff 0.033; //from QKRates + bCoeff 0.8; //from QKRates + allowSplitting yes; + writeRatesToTerminal no; + } + } + + exchangeReaction4 + { + reactionModel dissociationIonisationExchange; + + dissociationIonisationExchangeProperties + { + reactionName reverseExchange2; + reactantMolecules (O2 N); + chargedAtom no; + chargedMolecule no; + chargeExchange no; + productsOfExchangeReaction (NO O); + productsOfDissociatedMolecule (O O); + productsOfIonisedMolecule (O2+ E-); + productsOfIonisedAtom (N+ E-); + heatOfReactionDiss -59500; //in Kelvin, converted to Joules in the code + heatOfReactionExch 19400; //in Kelvin, converted to Joules in the code + heatOfReactionIonP -140066; + heatOfReactionIonQ -168613; + aCoeff 0.1; //from QKRates + bCoeff 0.1; //from QKRates + allowSplitting yes; + writeRatesToTerminal no; + } + } + + nitrogenDissociationIonisation4 + { + reactionModel moleculeElectronDissociationIonisation; + + moleculeElectronDissociationIonisationProperties + { + reactionName nitrogenDissociationIonisation4; + reactants (N2 E-); + productsOfDissociatedMolecule (N N); + productsOfIonisedMolecule (N2+ E-); + heatOfReactionDissociation -113500; + heatOfReactionIonisation -180798; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + oxygenDissociationIonisation5 + { + reactionModel moleculeElectronDissociationIonisation; + + moleculeElectronDissociationIonisationProperties + { + reactionName oxygenDissociationIonisation5; + reactants (O2 E-); + productsOfDissociatedMolecule (O O); + productsOfIonisedMolecule (O2+ E-); + heatOfReactionDissociation -59500; + heatOfReactionIonisation -140066; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + niticOxideDissociationIonisation2 + { + reactionModel moleculeElectronDissociationIonisation; + + moleculeElectronDissociationIonisationProperties + { + reactionName niticOxideDissociationIonisation2; + reactants (NO E-); + productsOfDissociatedMolecule (N O); + productsOfIonisedMolecule (NO+ E-); + heatOfReactionDissociation -75500; + heatOfReactionIonisation -107457; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + atomicNitrogenIonisation + { + reactionModel atomElectronIonisation; + + atomElectronIonisationProperties + { + reactionName atomicNitrogenIonisation; + reactants (N E-); + productsOfIonisedAtom (N+ E-); + heatOfReactionIonisation -168613; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + atomicOxygenIonisation + { + reactionModel atomElectronIonisation; + + atomElectronIonisationProperties + { + reactionName atomicOxygenIonisation; + reactants (O E-); + productsOfIonisedAtom (O+ E-); + heatOfReactionIonisation -158053; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + atomicNitrogenIonisation2 + { + reactionModel atomAtomIonisationDissimilarSpecies; + + atomAtomIonisationDissimilarSpeciesProperties + { + reactionName atomicNitrogenIonisation2; + reactants (N N+); + chargedAtom yes; + productsOfIonisedAtom (N+ E-); + heatOfReactionIonisation -168613; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + atomicNitrogenIonisation3 + { + reactionModel atomAtomIonisationDissimilarSpecies; + + atomAtomIonisationDissimilarSpeciesProperties + { + reactionName atomicNitrogenIonisation2; + reactants (N O+); + chargedAtom yes; + productsOfIonisedAtom (N+ E-); + heatOfReactionIonisation -168613; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + atomicOxygenIonisation2 + { + reactionModel atomAtomIonisationDissimilarSpecies; + + atomAtomIonisationDissimilarSpeciesProperties + { + reactionName atomicOxygenIonisation2; + reactants (O N+); + chargedAtom yes; + productsOfIonisedAtom (O+ E-); + heatOfReactionIonisation -158053; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + atomicOxygenIonisation3 + { + reactionModel atomAtomIonisationDissimilarSpecies; + + atomAtomIonisationDissimilarSpeciesProperties + { + reactionName atomicOxygenIonisation3; + reactants (O O+); + chargedAtom yes; + productsOfIonisedAtom (O+ E-); + heatOfReactionIonisation -158053; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + oxygenDissociationIonisation6 + { + reactionModel moleculeIonDissociationIonisation; + + moleculeIonDissociationIonisationProperties + { + reactionName oxygenDissociationIonisation6; + reactants (O2 O2+); + productsOfDissociatedMolecule (O O); + productsOfIonisedMolecule (O2+ E-); + heatOfReactionDissociation -59500; //in Kelvin, converted to Joules in the code + heatOfReactionIonisation -140066; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + nitrogenDissociationIonisation5 + { + reactionModel moleculeIonDissociationIonisation; + + moleculeIonDissociationIonisationProperties + { + reactionName nitrogenDissociationIonisation5; + reactants (N2 N2+); + productsOfDissociatedMolecule (N N); + productsOfIonisedMolecule (N2+ E-); + heatOfReactionDissociation -113500; //in Kelvin, converted to Joules in the code + heatOfReactionIonisation -180798; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + nitrogenDissociationIonisation6 + { + reactionModel moleculeIonDissociationIonisation; + + moleculeIonDissociationIonisationProperties + { + reactionName nitrogenDissociationIonisation6; + reactants (N2 NO+); + productsOfDissociatedMolecule (N N); + productsOfIonisedMolecule (N2+ E-); + heatOfReactionDissociation -113500; //in Kelvin, converted to Joules in the code + heatOfReactionIonisation -180798; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + nitricOxideDissociationIonisation2 + { + reactionModel moleculeIonDissociationIonisation; + + moleculeIonDissociationIonisationProperties + { + reactionName nitricOxideDissociationIonisation2; + reactants (NO NO+); + productsOfDissociatedMolecule (N O); + productsOfIonisedMolecule (NO+ E-); + heatOfReactionDissociation -75500; //in Kelvin, converted to Joules in the code + heatOfReactionIonisation -107457; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + nitricOxideDissociationIonisation4 + { + reactionModel moleculeIonDissociationIonisation; + + moleculeIonDissociationIonisationProperties + { + reactionName nitricOxideDissociationIonisation4; + reactants (NO N2+); + productsOfDissociatedMolecule (N O); + productsOfIonisedMolecule (NO+ E-); + heatOfReactionDissociation -75500; //in Kelvin, converted to Joules in the code + heatOfReactionIonisation -107457; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + nitricOxideDissociationIonisation4 + { + reactionModel moleculeIonDissociationIonisation; + + moleculeIonDissociationIonisationProperties + { + reactionName nitricOxideDissociationIonisation4; + reactants (NO N+); + productsOfDissociatedMolecule (N O); + productsOfIonisedMolecule (NO+ E-); + heatOfReactionDissociation -75500; //in Kelvin, converted to Joules in the code + heatOfReactionIonisation -107457; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + exchangeReaction5 + { + reactionModel dissociationIonisationExchange; + + dissociationIonisationExchangeProperties + { + reactionName forwardExchange3; + reactantMolecules (NO+ N); + chargedAtom no; + chargedMolecule yes; + chargeExchange no; + productsOfExchangeReaction (N2+ O); + productsOfIonisedAtom (N+ E-); + heatOfReactionExch -35501; //in Kelvin, converted to Joules in the code + heatOfReactionIonQ -168613; + aCoeff 0.05; //from QKRates + bCoeff 0.0; //from QKRates + allowSplitting yes; + writeRatesToTerminal no; + } + } + + exchangeReaction6 + { + reactionModel dissociationIonisationExchange; + + dissociationIonisationExchangeProperties + { + reactionName forwardExchange4; + reactantMolecules (NO O+); + chargedAtom yes; + chargedMolecule no; + chargeExchange no; + productsOfExchangeReaction (O2 N+); + productsOfDissociatedMolecule (N O); + productsOfIonisedMolecule (NO+ E-); + heatOfReactionExch -7720; //in Kelvin, converted to Joules in the code + heatOfReactionDiss -75500; + heatOfReactionIonP -107457; +/* heatOfReactionExch 0; //in Kelvin, converted to Joules in the code*/ +/* heatOfReactionDiss 0;*/ +/* heatOfReactionIonP 0;*/ + aCoeff 0.0; //from QKRates + bCoeff 0.0; //from QKRates + allowSplitting yes; + writeRatesToTerminal no; + } + } + + exchangeReaction7 + { + reactionModel dissociationIonisationExchange; + + dissociationIonisationExchangeProperties + { + reactionName reverseExchange3; + reactantMolecules (N2+ O); + chargedAtom no; + chargedMolecule yes; + chargeExchange yes; + productsOfExchangeReaction (NO+ N); + productsOfChargeExchangeReaction (N2 O+); + productsOfIonisedAtom (O+ E-); + heatOfReactionExch 35501; //in Kelvin, converted to Joules in the code + heatOfReactionChargeExch 22800; + heatOfReactionIonQ -158053; +/* heatOfReactionExch 0; //in Kelvin, converted to Joules in the code*/ +/* heatOfReactionChargeExch 0;*/ +/* heatOfReactionIonQ 0;*/ + aCoeff 0.02; //from QKRates + bCoeff 0.8; //from QKRates + aCoeffChargeExchange 0.6; + bCoeffChargeExchange 0.35; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + exchangeReaction8 + { + reactionModel dissociationIonisationExchange; + + dissociationIonisationExchangeProperties + { + reactionName reverseExchange4; + reactantMolecules (N2 O+); + chargedAtom yes; + chargedMolecule no; + chargeExchange yes; + productsOfExchangeReaction (NO+ N); + productsOfChargeExchangeReaction (N2+ O); + productsOfDissociatedMolecule (N N); + productsOfIonisedMolecule (N2+ E-); + heatOfReactionExch 12767; //in Kelvin, converted to Joules in the code + heatOfReactionChargeExch -22800; + heatOfReactionDiss -113500; + heatOfReactionIonP -180798; +/* heatOfReactionExch 0; //in Kelvin, converted to Joules in the code*/ +/* heatOfReactionChargeExch 0;*/ +/* heatOfReactionDiss 0;*/ +/* heatOfReactionIonP 0;*/ + aCoeff 0.0; //from QKRates + bCoeff 0.0; //from QKRates + aCoeffChargeExchange 0.5; + bCoeffChargeExchange 0.2; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + exchangeReaction9 + { + reactionModel dissociationIonisationExchange; + + dissociationIonisationExchangeProperties + { + reactionName reverseExchange5; + reactantMolecules (O2+ N); + chargedAtom no; + chargedMolecule yes; + chargeExchange yes; + productsOfExchangeReaction (NO+ O); + productsOfChargeExchangeReaction (O2 N+); + productsOfIonisedAtom (N+ E-); + heatOfReactionExch 28574; //in Kelvin, converted to Joules in the code + heatOfReactionChargeExch -28601; + heatOfReactionIonQ -168613; +/* heatOfReactionExch 0; //in Kelvin, converted to Joules in the code*/ +/* heatOfReactionChargeExch 0;*/ +/* heatOfReactionIonQ 0;*/ + aCoeff 0.0; //from QKRates + bCoeff 0.0; //from QKRates + aCoeffChargeExchange 0.02; + bCoeffChargeExchange 0.1; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + exchangeReaction10 + { + reactionModel dissociationIonisationExchange; + + dissociationIonisationExchangeProperties + { + reactionName reverseExchange6; + reactantMolecules (O2 N+); + chargedAtom yes; + chargedMolecule no; + chargeExchange yes; + productsOfExchangeReaction (NO O+); + productsOfChargeExchangeReaction (O2+ N); + productsOfDissociatedMolecule (O O); + productsOfIonisedMolecule (O2+ E-); + heatOfReactionExch 26600; //in Kelvin, converted to Joules in the code + heatOfReactionChargeExch 28601; + heatOfReactionDiss -59500; + heatOfReactionIonP -140066; +/* heatOfReactionExch 0; //in Kelvin, converted to Joules in the code*/ +/* heatOfReactionChargeExch 0;*/ +/* heatOfReactionDiss 0;*/ +/* heatOfReactionIonP 0;*/ + aCoeff 0.15; //from QKRates + bCoeff 0.4; //from QKRates + aCoeffChargeExchange 0.0; + bCoeffChargeExchange 0.0; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + associativeIonisation1 + { + reactionModel forwardAssociativeIonisation; + + forwardAssociativeIonisationProperties + { + reactionName forwardAssociativeIonisation1; + reactantAtoms (N N); + productsOfAssociativeIonisation (N2+ E-); + productsOfIonisation (N+ E-); + intermediateMolecule N2; + heatOfReactionRecombination 113550; //in Kelvin, converted to Joules in the code + heatOfReactionIntermediateIonisation -180798.3; //in Kelvin, converted to Joules in the code + heatOfReactionIonisation -168613; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + associativeIonisation2 + { + reactionModel forwardAssociativeIonisation; + + forwardAssociativeIonisationProperties + { + reactionName forwardAssociativeIonisation2; + reactantAtoms (O O); + productsOfAssociativeIonisation (O2+ E-); + productsOfIonisation (O+ E-); + intermediateMolecule O2; + heatOfReactionRecombination 59500; //in Kelvin, converted to Joules in the code + heatOfReactionIntermediateIonisation -140066; //in Kelvin, converted to Joules in the code + heatOfReactionIonisation -158053; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + associativeIonisation3 + { + reactionModel forwardAssociativeIonisationDissimilarSpecies; + + forwardAssociativeIonisationDissimilarSpeciesProperties + { + reactionName forwardAssociativeIonisation3; + reactantAtoms (N O); + productsOfAssociativeIonisation (NO+ E-); + productsOfIonisationP (N+ E-); + productsOfIonisationQ (O+ E-); + intermediateMolecule NO; + heatOfReactionRecombination 75500; //in Kelvin, converted to Joules in the code + heatOfReactionIntermediateIonisation -107457.8; //in Kelvin, converted to Joules in the code + heatOfReactionIonisationP -168613; + heatOfReactionIonisationQ -158053; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + associativeIonisation4 + { + reactionModel reverseAssociativeIonisation; + + reverseAssociativeIonisationProperties + { + reactionName reverseAssociativeIonisation1; + reactants (NO+ E-); + productsOfAssociativeIonisation (N O); + intermediateMolecule NO; + heatOfReactionDissociation -75500; //in Kelvin, converted to Joules in the code + heatOfReactionRecombination 107457.8; //in Kelvin, converted to Joules in the code + allowSplitting yes; + writeRatesToTerminal no; + } + } + + associativeIonisation5 + { + reactionModel reverseAssociativeIonisation; + + reverseAssociativeIonisationProperties + { + reactionName reverseAssociativeIonisation2; + reactants (O2+ E-); + productsOfAssociativeIonisation (O O); + intermediateMolecule O2; + heatOfReactionDissociation -59500; //in Kelvin, converted to Joules in the code + heatOfReactionRecombination 140066.5; //in Kelvin, converted to Joules in the code + allowSplitting yes; + writeRatesToTerminal no; + } + } + + associativeIonisation6 + { + reactionModel reverseAssociativeIonisation; + + reverseAssociativeIonisationProperties + { + reactionName reverseAssociativeIonisation3; + reactants (N2+ E-); + productsOfAssociativeIonisation (N N); + intermediateMolecule N2; + heatOfReactionDissociation -113550; //in Kelvin, converted to Joules in the code + heatOfReactionRecombination 180798.3; //in Kelvin, converted to Joules in the code + allowSplitting yes; + writeRatesToTerminal no; + } + } + + chargeExchange1 + { + reactionModel chargeExchange; + + chargeExchangeProperties + { + reactionName forwardChargeExchange1; + reactants (N2 O2+); + chargeExchangeProducts (O2 N2+); + dissociationProducts (N N); + ionisationProducts (N2+ E-); + heatOfReactionExchange -40699; //in Kelvin, converted to Joules in the code + dissociationPossible yes; + heatOfReactionDissociation -113500; + heatOfReactionIonisation -180798; + aCoeff 0.05; + bCoeff 0.55; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + chargeExchange2 + { + reactionModel chargeExchange; + + chargeExchangeProperties + { + reactionName forwardChargeExchange2; + reactants (N2 N+); + chargeExchangeProducts (N2+ N); + dissociationProducts (N N); + ionisationProducts (N2+ E-); + heatOfReactionExchange -12200; //in Kelvin, converted to Joules in the code + dissociationPossible yes; + heatOfReactionDissociation -113500; + heatOfReactionIonisation -180798; + aCoeff 0.4; + bCoeff 0.1; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + chargeExchange3 + { + reactionModel chargeExchange; + + chargeExchangeProperties + { + reactionName forwardChargeExchange3; + reactants (O2 NO+); + chargeExchangeProducts (NO O2+); + dissociationProducts (O O); + ionisationProducts (O2+ E-); + heatOfReactionExchange -32601; //in Kelvin, converted to Joules in the code + dissociationPossible yes; + heatOfReactionDissociation -59500; + heatOfReactionIonisation -140066; + aCoeff 0.0; + bCoeff 0.0; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + chargeExchange4 + { + reactionModel chargeExchange; + + chargeExchangeProperties + { + reactionName forwardChargeExchange4; + reactants (O O2+); + chargeExchangeProducts (O2 O+); + ionisationProducts (O+ E-); + dissociationPossible no; + heatOfReactionExchange -18000; //in Kelvin, converted to Joules in the code + heatOfReactionIonisation -158053; + aCoeff 0.7; + bCoeff 0.15; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + chargeExchange5 + { + reactionModel chargeExchange; + + chargeExchangeProperties + { + reactionName reverseChargeExchange1; + reactants (O2 N2+); + chargeExchangeProducts (N2 O2+); + dissociationProducts (O O); + ionisationProducts (O2+ E-); + dissociationPossible yes; + heatOfReactionExchange 40699; //in Kelvin, converted to Joules in the code + heatOfReactionDissociation -59500; + heatOfReactionIonisation -140066; + aCoeff 0.2; + bCoeff 0.3; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + chargeExchange6 + { + reactionModel chargeExchange; + + chargeExchangeProperties + { + reactionName reverseChargeExchange2; + reactants (N N2+); + chargeExchangeProducts (N2 N+); + ionisationProducts (N+ E-); + dissociationPossible no; + heatOfReactionExchange 12200; //in Kelvin, converted to Joules in the code + heatOfReactionIonisation -168613; + aCoeff 0.4; + bCoeff 0.25; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + chargeExchange7 + { + reactionModel chargeExchange; + + chargeExchangeProperties + { + reactionName reverseChargeExchange3; + reactants (NO O2+); + chargeExchangeProducts (O2 NO+); + dissociationProducts (N O); + ionisationProducts (NO+ E-); + dissociationPossible yes; + heatOfReactionExchange 39119; //in Kelvin, converted to Joules in the code + heatOfReactionDissociation -75500; + heatOfReactionIonisation -107457; + aCoeff 0.07; + bCoeff 0.5; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + chargeExchange5 + { + reactionModel chargeExchange; + + chargeExchangeProperties + { + reactionName reverseChargeExchange1; + reactants (O2 O+); + chargeExchangeProducts (O2+ O); + dissociationProducts (O O); + ionisationProducts (O2+ E-); + dissociationPossible yes; + heatOfReactionExchange 18000; //in Kelvin, converted to Joules in the code + heatOfReactionDissociation -59500; + heatOfReactionIonisation -140066; + aCoeff 0.5; + bCoeff 0.1; + allowSplitting yes; + writeRatesToTerminal no; + } + } + + + atomIonIonisation1 + { + reactionModel atomIonIonisation; + + atomIonIonisationProperties + { + reactionName atomIonIonisation1; + reactants (O NO+); + productsOfIonisedAtom (O+ E-); + heatOfReactionIonisation -158053; + allowSplitting yes; + writeRatesToTerminal no; + } + } +); + +