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The oxidation of hydrogen cyanide and related chemistry

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ProgressinEnergyandCombustionScience34(2008)1–46TheoxidationofhydrogencyanideandrelatedchemistryPhilippeDagauta,�,PeterGlarborgb,MariaU.AlzuetacaCentreNationaldelaRechercheScientifique,1c,AvenuedelaRechercheScientifique,45071Orle´ansCedex2,FrancebDepartmentofChemicalEngineering—Bldg.229,TechnicalUniversityofDenmark,2800Lyngby,DenmarkcDepartmentofChemicalandEnvironmentalEngineering,Arago´nInstituteofEngineeringResearch.,UniversityofZaragoza.,CampusRı´oEbro.C/Marı´adeLuna,3.50018Zaragoza,SpainReceived7July2006;accepted22February2007Availableonline11April2007AbstractFormodelingtheformationofnitrogenoxidesincombustionviaboththeprompt-NOandthefuel-NOmechanisms,aswellasformodelingthereductionofnitrogenoxidesviareburning,agoodknowledgeofthekineticsofoxidationofhydrogencyanide(HCN)isrequired.TheformationroutestoHCNandthethermochemistryofHCN-relatedspeciesarereviewed.TheavailablekineticdatafortheoxidationofHCNarepresentedandacomprehensivedetailedchemicalkineticreactionmechanismfortheoxidationofHCNisproposedanddiscussed.r2007ElsevierLtd.Allrightsreserved.Keywords:Hydrogencyanide;HCN;Nitrogenoxide;NOx;Pollutants;Oxidation;Combustion;Kinetics;Reburning;Prompt-NO;Fuel-NO;ModelingContents1.Introduction22.HCNformation..33.NOxformationviaHCN...44.HCNoxidation:availableexperimentaldataandkineticmodels...44.1.Experimentalresults..44.2.Kineticmodels..55.NOxreductionviaHCNintermediateformationorbyHCNinjection...86.UpdatedkineticschemeforHCNoxidation..96.1.Chemicalkineticmodel96.2.Thermodynamicpro

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