Citethis:NewCarbonMaterials,2024,39(2):354-366DOI:10.1016/S1872-5805(22)60597-3Theoxidationreactionmechanismanditskineticsforacarbonaceousprecursorpreparedfromethylenetarforuseasananodematerialforlithium-ionbatteriesGUOTian-rui,CHENRong-qi,GAOWei,WANGYan-li,ZHANLiang*（StateKeyLaboratoryofChemicalEngineering,EastChinaUniversityofScienceandTechnology,Shanghai200237,China）Abstract：TheoxidationreactionmechanismanditskineticsforethylenetarwereinvestigatedinordertoobtainasuitableanodematerialforLi-ionbatteries.Theoxidationofethylenetarwasdividedinto3stages(350–550,550–700and700–900K)accordingtothethermogravimetriccurve.Torevealtheoxidationreactionmechanism,thecomponentsofthegasesevolvedatdifferentstageswereanalyzedbymassspectrometryandinfraredtechnology.Basedontheseresultsthereactionwasdividedinto4stages(323–400,400–605,605–750and750–860K)toperformsimulationcalculationsofthekinetics.Usingtheiso-conversionmethod(Coats-Red-fern)toanalyzethelinearregressionrates(R2)between17commonreactionkineticsmodelsandexperimentaldata,anoptimumre-actionkineticsmodelforexpressingtheoxidationofethylenetarwasdeterminedandtheresultswereasfollows.(1)Duringoxida-tion,thesidechainsofaromaticcompoundsfirstreactwithoxygentoformalcoholsandaldehydes,leavingperoxy-radicalsonaro-maticrings.Subsequently,thearomaticcompoundswithperoxy-radicalsundergopolymerization/condensationreactionstoformlar-germolecules.(2)Afourth-orderreactionmodelwasusedtodescribethefirst3stagesintheoxidationprocess,andtheactivationenergiesare47.33,18.69and9.00kJ·mol−1at323–400,400–605,605–750K,respectively.Athree-dimensionaldiffusionmodelwasappliedtothefourthstageoftheoxidationprocess,andtheactivationenergyis88.37kJ·mol−1at750–860K.Ahighsofteningpointpitchwasalsoproducedforuseasacoatingofthegraphiteanode,andafterithadbeenappliedthecapacityretentionafter300cyclesincreasedfrom51.54%to79.07%.Keywords:Ethylenetar；Oxidationreactionmechanism；Reactionkinetics；Carbonaceousprecursor；Lithium-ionbatteries1Introducti...
