王建昕+清华+缸内直喷发动机氧化模型预测ProceedingsCombustionInstitute/locate/procioftheProceedingsoftheCombustionInstitute33(2021)3151–3158Adetailedoxidationmechanismforthepredictionofformaldehydeemissionfrommethanol-gasolineSIenginesFanZhang,ShijinShuai,ZhiWang,XiaZhang,JianxinWangStateKeyLaboratoryofAutomotiveSafetyandEnergy,TsinghuaUniversity,Beijing100084,ChinaAbstractIflow-contentmethanol-gasolineblendedfuelsareutilizedincurrentPFIgasolineengines,formalde-hydeemissionneedstobeintensivelyevaluated.Inthisstudy,adetailedcomprehensivemethanoloxida-tionmechanismwasdeveloped,basedonpresentreactionrateconstantandpathinformation.TheinuenceofCH,CH2(S),andCH2(T)radicalspeciesandnitricoxidewasconsideredinthemechanism.Shock-tubeandow-reactordatawereusedtovalidatethemechanism.Numericalsimulationsofallsys-temswereconductedbyCHEMKIN-basedprograms.Inordertoconstructamethanol-gasolinemecha-nism,anoxidationmechanismofgasolinesurrogatewascombinedwiththemethanolmechanism.Thegasolinesurrogatemechanismwasformedwithiso-octane(iso-paranrepresentative),toluene(aromaticrepresentative),and1-hexene(olenrepresentative).Themethanol-gasolinemechanismwasvalidatedbythejet-stirredreactor(JSR)experimentdata.Thesimulationresultsoftheproposedmechanismhaveagenerallygoodagreementwiththeexperimentaldata.Sequentially,theBoostenginecyclemodelwasestablishedandcoupledwiththemethanol-gasolinemechanismtosimulatetheformaldehydeemissionsofthelow-percentmethanol-gasolineblendedfuelsfromaSIengine,andalsoappliedtopredicttheemis-sionsofthehigh-percentblendedfuels.TheexperimentaldatafromtheSIenginewereobtainedbytheFTIR(Fouriertransforminfrared)spectrometer.ThesimulationresultsofSIenginesachieveagoodcon-sistencywiththeexperimentalresults.2021TheCombustionInstitute.PublishedbyElsevierInc.Allrightsreserved.Keywords:Methanol;Gasoline;Oxidationmechanism;Emissions;Formaldehyde1.IntroductionAsaliquidfuel,methanolcanbeproducedfromagreatnumberofdierentrawandrenew-ablematerialresources.Theutilizationofcoal-generatedmethanolasapracticalalternativefuelisoneofthemostrealisticoptionsforChina,dueCorrespondingauthor.Fax:+861062772515.E-mail(S.Shuai).address:sjshuai@tothe“oil-lean,gas-lacking,andcoal-rich”struc-tureofChineseenergyresources[1].However,formaldehydeemissionfrommethanolenginesisharmfultotheenvironmentaswellastohumanhealth.Thus,iflow-contentmethanol-gasolineblendedfuelsareutilizedincurrentPFI(PortFuelInjection)gasolineengines,formaldehydeemissionneedstobeintensivelyevaluated.Thenumericalsimulationmethodcouldbedevelopedasausefulengineeringtooltoinvesti-gateunburnedmethanolandformaldehydeemissionsfrommethanolengines.Thus,detailed1540-7489/$-seefrontmatter2021TheCombustionInstitute.PublishedbyElsevierInc.Allrightsreserved.doi:10.1016/j.proci.2021.07.0293152F.Zhangetal./ProceedingsoftheCombustionInstitute33(2021)3151–3158chemicalkineticmechanismsformethanoloxida-tionshouldberesearched.Thereareabout10kindsofmethanoloxidationmechanismsshowninthepastliterature.Bowman[2]developedtherstdetailedmechanismsbasedonshock-tubeexperiments,despitefacingdicultiesinpredict-ingmethanolignitiondelayperiodinlowtemper-ature(1800K)causedbyalackofelementaryratedata.Subsequently,WestbrookandDryer[3]developedtherstcomprehensivekineticmodelofmethanoloxidation,whichhadasuc-cessfulvericationwithow-reactorandshock-tubedatainawidetemperaturerange.The...