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果糖在酸性环境中脱水制备5-羟甲基糠醛的理论研究(英文) Thetheoreticalresearchonthedehydrationoffructoseinacidicenvironmentforthepreparationof5-hydroxymethylfurfural Introduction: 5-hydroxymethylfurfural(HMF)isaversatileplatformchemicalthathasattractedmuchattentioninrecentyearsduetoitspotentialapplicationsintheproductionofvariouschemicals,includingbiofuels,polymers,andpharmaceuticals.HMFcanbesynthesizedfromdifferentbiomassfeedstocks,andoneofthemostpromisingsourcesisfructose.FructoseisanaturalsugarfoundinfruitsandhoneyandcanbeeasilyconvertedtoHMFbydehydrationinanacidicenvironment.ThepurposeofthispaperistopresentatheoreticalstudyonthedehydrationoffructosetoHMFinanacidicenvironment,focusingonthereactionmechanism,theeffectofvariousparameters,andtheoptimizationoftheprocess. Reactionmechanism: ThedehydrationoffructosetoHMFinanacidicenvironmentfollowsastepwisereactionmechanism.Thefirststepistheprotonationofthefructosemoleculebytheacidcatalyst,whichgeneratesafructosecation.Thisstepisconsideredtobetherate-determiningstep,andthereactionrateishighlydependentontheacidconcentration.Thefructosecationthenundergoesdehydrationtoformacyclicintermediatecalledfructosedehydrationproduct(FDP).FDPisakeyintermediateinthereaction,anditsformationisfollowedbyitsrearrangementtoform5-hydroxymethyl-2-furaldehyde(HMF).Theoverallreactionschemeisshownbelow: Fructose→Fructosecation→FDP→HMF Effectofvariousparameters: SeveralparameterscaninfluencethedehydrationoffructosetoHMFinanacidicenvironment,includingtheacidconcentration,temperature,reactiontime,andwatercontent.Theeffectofeachparameteronthereactionrateandyieldisdiscussedbelow. Acidconcentration:Theacidconcentrationisthemostcriticalparameteraffectingthereactionrateandyield.Toolowacidconcentrationresultsinaslowreactionrate,whiletoohighacidconcentrationcanleadtosidereactionsandloweryields.Generally,asulfuricacidconcentrationof0.1-0.5MisusedforfructosedehydrationtoHMF,andtheoptimumconcentrationdependsonthereactionconditionsandthefructosesource. Temperature:Thetemperaturealsoaf