Prog.EnergyCombust.Sci.1989,Vol.15.pp.287-3380360-1285/~q$0.00+50PnntedinGreatBritain.Allrightsreserved.(1989PergamonPresspLcMECHANISMANDMODELINGOFNITROGENCHEMISTRYINCOMBUSTIONJAMESA.MILLER*+andCRAIGT.BOWMANaf§*CombustionResearchFacility,SandiaNatit,~alLaboratories,Livermore.CA94551,U.S.A.tDepartmentofMechanicalEngineering,StanfordUniversiO,.Stanford,CA94305,U.S.A.Received16June1989Abstract--Ourcurrentunderstandingofthemechanismsandrateparametersforthegas-phasereactionsofnitrogencompoundsthatareapplicabletocombustion-generatedairpollutionisdiscussedandillus-tratedbycomparisonofresultsfromdetailedkineticscalculationswithexperimentaldata.Inparticular,themechanismsandrateparametersforthermalandpromptNOformation,forfuelnitrogenconversion,fortheThermalDe-NO~andRAPRENO,processes,andforNO2andN20formationandremovalprocessesareconsidered.Sensitivityandrate-of-productionanalysesareappliedinthecalculationstodeterminewhichelementaryreactionsare.ofgreatestimportanceinthenitrogenconversionprocess.Availableinformationontherateparametersfortheseimportantelementaryreactionshasbeensurveyed.andrecommendationsfortheratecoefficientsforthesereactionsareprovided.Theprincipalareasofuncertaintyinnitrogenreactionmechanismsandrateparametersareoutlined.CONTENTS1.Introduction2872.ComputationalMethodsandReactionMechanisms2883.ThermalNOMechanism2894.PromptNOMechanism2905.NOProductionfromFuelNitrogen2985.1.Theoxidationofhydrogencyanide2985.2.TheNO--.HCN--*N:mechanism3015.3.TheoxidationofNH33055.4.Fuel-nitrogenconversioninwell-stirredreactors3096.ThermalDe-NO,andRAPRENOxMechanisms3126.1.ThermalDe-NOtmechanism3126.2.RAPRENO,.mechanism3197.NitrogenDioxideMechanism3238.NitrousOxideMechanism3249.ConcludingRemarks327Acknowledgements327References327AppendixA331AppendixB337I.INTRODUCTIONThechemicalreactionsofnitrogencompoundsthatoccurincombustionprocesseshavebeenthesubjectofintensivestudyformorethanfiftyyears.Muchofthisresearchhasbeenmotivatedbytheimpactofthenitrogencompoundsemittedfromcombustionsourc...
