/*--------------------------------*- C++ -*----------------------------------*\
| =========                 |                                                 |
| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
|  \\    /   O peration     | Version:  2.4.0-MNF                             |
|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
|    \\/     M anipulation  |                                                 |
\*---------------------------------------------------------------------------*/
FoamFile
{
    version     2.0;
    format      ascii;
    class       dictionary;
    location    "system";
    object      chemReactDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

reactions
(
	//////////////////////////////////////////////////////////////////////////////////
	//	1	N2+N2	→	N+N+N2		dissociation type I Same	//
	//	2	N2+O2	→	N+N+O2		dissociation type I Diss	//
	//	3	N2+NO	→	N+N+NO		dissociation type I Diss	//
	//	4	N2+N	→	N+N+N		dissociation type II		//
	//	5	N2+O	→	N+N+O		dissociation type II		//
	//										//
	//	6	O2+N2	→	O+O+N2		dissociation type I Diss	//
	//	7	O2+O2	→	O+O+O2		dissociation type I Same	//
	//	8	O2+NO	→	O+O+NO		dissociation type I Diss	//
	//	9	O2+N	→	O+O+N		dissociation type II		//
	//	10	O2+O	→	O+O+O		dissociation type II		//
	//										//
	//	11	NO+N2	→	N+O+N2		dissociation type I Diss	//
	//	12	NO+O2	→	N+O+O2		dissociation type I Diss	//
	//	13	NO+NO	→	N+O+NO		dissociation type I Same	//
	//	14	NO+N	→	N+O+N		dissociation type II		//
	//	15	NO+O	→	N+O+O		dissociation type II		//
	//										//
	//	31	N2+O	→	NO+N		exchange reaction forward(Endo) //
	//	32	NO+N	→	N2+O		exchange reaction reverse(Exo)	//
	//	33	NO+O	→	O2+N		exchange reaction forward(Endo)	//
	//	34	O2+N	→	NO+O		exchange reaction reverse(Exo)  //
	//////////////////////////////////////////////////////////////////////////////////


	// ============================================================================ //
	//	1	N2+N2	→	N+N+N2		dissociation type I Same	//
	// ============================================================================ //
	reaction1
	{
		reactionModel		dissociationIonisationTypeISameSpecies;
		dissociationIonisationTypeISameSpeciesProperties
		{
			reactionName				reaction1;
			reactantMolecules			(N2 N2);
			productsOfDissociatedMolecule		(N N);	
			productsOfIonisedMolecule		(N2+ E-); 	// Redundant
			heatOfReactionDissociation		-113062.8; 	// = -1.561E-18 J
			heatOfReactionIonisation		-180798; 	// Redundant
			allowSplitting				yes;
			writeRatesToTerminal			no;
		}
	}


	// ============================================================================ //
	//	7	O2+O2	→	O+O+O2		dissociation type I Same	//
	// ============================================================================ //
	reaction7
	{
		reactionModel		dissociationIonisationTypeISameSpecies;
		dissociationIonisationTypeISameSpeciesProperties
		{
			reactionName				reaction7;
			reactantMolecules			(O2 O2);
			productsOfDissociatedMolecule		(O O);		
			productsOfIonisedMolecule		(O2+ E-); 	// Redundant
			heatOfReactionDissociation		-59370.6; 	// = -8.197E-19 J
			heatOfReactionIonisation		-140066; 	// Redundant
			allowSplitting			  	yes;
		    	writeRatesToTerminal			no;
        	}
	}


	// ============================================================================ //	
	//	13	NO+NO	→	N+O+NO		dissociation type I Same	//
	// ============================================================================ //
	reaction13
	{
		reactionModel		dissociationIonisationTypeISameSpecies;
		dissociationIonisationTypeISameSpeciesProperties
		{
			reactionName				reaction13;
		    	reactantMolecules			(NO NO);
			productsOfDissociatedMolecule		(N O);		
			productsOfIonisedMolecule		(NO+ E-);	// Redundant
			heatOfReactionDissociation		-75544.2; 	// = -1.043E-18 J
			heatOfReactionIonisation		-107457; 	// Redundant
			allowSplitting			  	yes;
			writeRatesToTerminal			no;
       		}
	}


	// ============================================================================ //
	//	2	N2+O2	→	N+N+O2		dissociation type I Diss	//
	//	6	O2+N2	→	O+O+N2		dissociation type I Diss	//
	// ============================================================================ //
	reactions2and6
	{
		reactionModel		dissociationIonisationTypeIDissimilarSpecies;
		dissociationIonisationTypeIDissimilarSpeciesProperties
		{
			reactionName				reactions2and6;
			reactantMolecules			(N2 O2);
			productsOfDissociatedMolecule		((N N) (O O));
			productsOfIonisedMolecule		((O2+ E-) (N2+ E-));	// Redundant
			heatOfReactionDissociationAB		-113062.8; 		// = -1.561E-18 J
			heatOfReactionIonisationAB		-180798; 		// Redundant
			heatOfReactionDissociationCD		-59370.6;  		// = -8.197E-19 J
			heatOfReactionIonisationCD		-140066; 		// Redundant
		    	allowSplitting			  	yes;
			writeRatesToTerminal			no;
       		}
	}


	// ============================================================================ //
	//	3	N2+NO	→	N+N+NO		dissociation type I Diss	//
	//	11	NO+N2	→	N+O+N2		dissociation type I Diss	//
	// ============================================================================ //
	reactions3and11
	{
		reactionModel		dissociationIonisationTypeIDissimilarSpecies;
		dissociationIonisationTypeIDissimilarSpeciesProperties
		{
			reactionName				reactions3and11;		
			reactantMolecules			(N2 NO);
			productsOfDissociatedMolecule		((N N) (N O));
			productsOfIonisedMolecule		((N2+ E-) (NO+ E-));	// Redundant
			heatOfReactionDissociationAB		-113062.8;		// = -1.561E-18	J
			heatOfReactionIonisationAB		-180798; 		// Redundant
			heatOfReactionDissociationCD		-75544.2; 		// = -1.043E-18 J
			heatOfReactionIonisationCD		-107457; 		// Redundant
		    	allowSplitting				yes;
			writeRatesToTerminal			no;
       		}
	}


	// ============================================================================ //
	//	8	O2+NO	→	O+O+NO		dissociation type I Diss	//
	//	12	NO+O2	→	N+O+O2		dissociation type I Diss	//
	// ============================================================================ //
	reactions8and12
	{
		reactionModel		dissociationIonisationTypeIDissimilarSpecies;
		dissociationIonisationTypeIDissimilarSpeciesProperties
		{
			reactionName				reactions8and12;
		   	reactantMolecules			(O2 NO);
		    	productsOfDissociatedMolecule		((O O) (N O));
            		productsOfIonisedMolecule		((O2+ E-) (NO+ E-)); 	// Redundant
			heatOfReactionDissociationAB		-59370.6; 		// = -8.197E-19 J
            		heatOfReactionIonisationAB		-140066; 		// Redundant
            		heatOfReactionDissociationCD		-75544.2; 		// = -1.043E-18 J
            		heatOfReactionIonisationCD		-107457; 		// Redundant
		   	allowSplitting			  	yes;
			writeRatesToTerminal			no;
    		}
	}


	// ============================================================================ //
	//	4	N2+N	→	N+N+N		dissociation type II		//
	// ============================================================================ //
	reaction4
	{
		reactionModel		moleculeAtomDissociationIonisation;
		moleculeAtomDissociationIonisationProperties
		{
			reactionName				reaction4;
		    	reactants				(N2 N);
		    	productsOfDissociatedMolecule		(N N);
           		productsOfIonisedMolecule		(N2+ E-);	// Redundant
            		productsOfIonisedAtom			(N+ E-); 	// Redundant
			heatOfReactionDissociation		-113062.8; 	// = -1.561E-18 J
            		heatOfReactionIonisationMolecule	-180798; 	// Redundant
            		heatOfReactionIonisationAtom		-168613; 	// Redundant
		    	allowSplitting			  	yes;
			writeRatesToTerminal			no;
     		}
	}


	// ============================================================================ //
	//	10	O2+O	→	O+O+O		dissociation type II		//
	// ============================================================================ //
	reaction10
	{
		reactionModel		moleculeAtomDissociationIonisation;
		moleculeAtomDissociationIonisationProperties
		{
			reactionName				reaction10;
		    	reactants				(O2 O);
		   	productsOfDissociatedMolecule		(O O);
            		productsOfIonisedMolecule		(O2+ E-);	// Redundant
            		productsOfIonisedAtom			(O+ E-); 	// Redundant
			heatOfReactionDissociation		-59370.6; 	// = -8.197E-19 J
            		heatOfReactionIonisationMolecule	-140066; 	// Redundant
            		heatOfReactionIonisationAtom		-158053; 	// Redundant
		    	allowSplitting			  	yes;
			writeRatesToTerminal			no;
       		}
	}


	// ============================================================================ //
	//	31	N2+O	→	NO+N		exchange reaction forward(Endo) //
	//	5	N2+O	→	N+N+O		dissociation type II		//
	// ============================================================================ //
	reactions31and5
	{
		reactionModel		dissociationIonisationExchange;
		dissociationIonisationExchangeProperties
		{
			reactionName				reactions31and5;
		    	reactantMolecules			(N2 O);
		    	productsOfExchangeReaction		(NO N);
			productsOfDissociatedMolecule		(N N);
            		productsOfIonisedMolecule		(N2+ E-);	// Redundant
            		productsOfIonisedAtom			(O+ E-);	// Redundant
		    	heatOfReactionDiss			-113062.8;	// = -1.561E-18 J
		    	heatOfReactionExch			-37482.4; 	// = -5.175E-19 J
            		heatOfReactionIonP			-180798; 	// Redundant
            		heatOfReactionIonQ			-158053; 	// Redundant
		    	aCoeff					0.15; 		// from QKRates found in Open Source DSMC for Hypersonic Flows
		    	bCoeff					0.15; 		// from QKRates found in Open Source DSMC for Hypersonic Flows
            		chargedAtom				no;
            		chargedMolecule				no;
            		chargeExchange				no;
		    	allowSplitting				yes;
			writeRatesToTerminal			no;
     		}
	}


	// ============================================================================ //
	//	32	NO+N	→	N2+O		exchange reaction reverse(Exo)	//
	//	14	NO+N	→	N+O+N		dissociation type II		//
	// ============================================================================ //
	reactions32and14
	{
		reactionModel		dissociationIonisationExchange;
		dissociationIonisationExchangeProperties
		{
			reactionName				reactions32and14;			
		    	reactantMolecules			(NO N);
		    	productsOfExchangeReaction		(N2 O);
			productsOfDissociatedMolecule		(N O);
            		productsOfIonisedMolecule		(NO+ E-);	// Redundant
            		productsOfIonisedAtom			(N+ E-);	// Redundant
		    	heatOfReactionDiss			-75544.2; 	// = -1.043E-18
		    	heatOfReactionExch			37482.4;	// =  5.175E-19
            		heatOfReactionIonP			-107457;	// Redundant
            		heatOfReactionIonQ			-168613;	// Redundant
			aCoeff					0.033; 		// from QKRates found in Open Source DSMC for Hypersonic Flows
			bCoeff					0.8; 		// from QKRates found in Open Source DSMC for Hypersonic Flows
            		chargedAtom				no;
            		chargedMolecule				no;
            		chargeExchange				no;
		    	allowSplitting				yes;
			writeRatesToTerminal			no;
     		}
	}


	// ============================================================================ //
	//	33	NO+O	→	O2+N		exchange reaction forward(Endo) //
	//	15	NO+O	→	N+O+O		dissociation type II		//
	// ============================================================================ //
	reactions33and15
	{
		reactionModel		dissociationIonisationExchange;
		dissociationIonisationExchangeProperties
		{
			reactionName				reactions34and15;
		    	reactantMolecules			(NO O);
		    	productsOfExchangeReaction		(O2 N);
			productsOfDissociatedMolecule		(N O);
            		productsOfIonisedMolecule		(NO+ E-);	// Redundant
            		productsOfIonisedAtom			(O+ E-);	// Redundant
			heatOfReactionDiss			-75544.2; 	// = -1.043E-18 J
		    	heatOfReactionExch			-19693.6; 	// = -2.719E-19 J
            		heatOfReactionIonP			-107457; 	// Redundant
            		heatOfReactionIonQ			-158053; 	// Redundant
		    	aCoeff					0.085; 		// from QKRates found in Open Source DSMC for Hypersonic Flows
		    	bCoeff					0.65; 		// from QKRates found in Open Source DSMC for Hypersonic Flows
			chargedAtom				no;
            		chargedMolecule				no;
            		chargeExchange				no;
			allowSplitting				yes;
			writeRatesToTerminal			no;
       		}
	}


	// ============================================================================ //
	//	34	O2+N	→	NO+O		exchange reaction reverse(Exo)	//
	//	9	O2+N	→	O+O+N		dissociation type II		//
	// ============================================================================ //
	reactions34and9
	{
		reactionModel		dissociationIonisationExchange;
		dissociationIonisationExchangeProperties
		{
			reactionName				reactions33and9;
		    	reactantMolecules			(O2 N);
		    	productsOfExchangeReaction		(NO O);
			productsOfDissociatedMolecule		(O O);
            		productsOfIonisedMolecule		(O2+ E-);	// Redundant
            		productsOfIonisedAtom			(N+ E-);	// Redundant
		    	heatOfReactionDiss			-59370.6; 	// = -8.197E-19 J
		   	heatOfReactionExch			19693.6;	// =  2.719E-19 J
            		heatOfReactionIonP			-140066; 	// Redundant
            		heatOfReactionIonQ			-168613; 	// Redundant
		    	aCoeff					0.1; 		// from QKRates found in Open Source DSMC for Hypersonic Flows
		    	bCoeff					0.1; 		// from QKRates found in Open Source DSMC for Hypersonic Flows
           		chargedAtom				no;
            		chargedMolecule				no;
            		chargeExchange				no;
		    	allowSplitting				yes;
			writeRatesToTerminal			no;
       		}
	}
);