简介:ConstructingareasonablereactionkineticmodelforCr-containingwasteincinerationisofhighsignificancetostudytheeffectofvariousfactors,suchastemperature,Cl,onitshexavalentchromiumcompounds.Inthispaper,aprimaryCr/H/Air/ClreactionkineticmodelisbuiltandstudiedbyGaussian03codewithquantumchemistrytheory.Numericalresultsshowthattherearetwooverallreactionsinthemodel,eachofthetwooverallreactionsconsistsoftheirrespectivetwoelementaryreactions.Sothetwooverallreactionsshouldbeomittedfromthemodel.Instead,thefourelementaryreactionsshouldbeaddedintheCr/H/Air/Clreactionkineticmodel.Theactivationenergiesofthefourelementaryreactionsarealsocalculated.
简介:IntroductionInthepastseveralyears,muchresearchworkhasbeendoneforthesynthesisofC-fusedbicyclo-β-lactamcompoundsandaconcise“DoubleAnnulation”procedurehasbeendeveloped.Theβ-lactamringisformedbytheclassicalStaudingerreaction[1—3]betweenα-(alkylthio)acylchlorideandanequivalentα,β-unsaturatedimine.Thesulfurringissubsequentlyfusedontotheβ-lactamunitbymeansofahalogen-promotedheterocyclizationprocess[4—6].ThisprocedurewasappliedtothesynthesisofpenemasillustratedinFig.1.TheobtainedX-penemsareakindofimportantintermediatesforsynthesizingaseriesofβ-lactamcompounds,forexample,theyarecarboxylatedbycouplingreactionsontheCatomwhichislinkedtohalagen,formingpenem[7].Animportantpurposeintheresearchfieldistoprobeintonewβ-lactammedicines.
简介:为了明确团聚现象及表面性质对ZnS纳米材料发光性质的影响,采用SiO2对ZnS材料进行了表面修饰,并对ZnS及ZnS/SiO2复合材料的光学性质进行对比研究。采用吸收光谱分析了包覆前后光吸收性质的差异,发现SiO2包覆后ZnS纳米材料的带边由333nm红移至360nm。为了研究ZnS纳米材料与ZnS/SiO2纳米复合材料的光发射性质,分别对含纳米材料的水溶液样品及粉末样品的发光光谱进行了采集。对比研究的结果表明,SiO2包覆后ZnS纳米材料在蓝紫光区的发光得到了明显增强。以氙灯作为激发光源所获得荧光光谱显示ZnS/SiO2粉末样品发光的积分强度增大为原来的17.5倍,但相同条件下针对溶液样品的测试结果显示其发光强度只增大了1.1倍,这种增强可用SiO2的存在抑制了ZnS纳米粒子间的团聚来解释,且这一推断由325nm紫外激光激发下获得的光致发光数据进行了验证。
简介:IntheinterlayerexpansionofthelayeredzeoliteprecursorCOK-5,aSn,salt,bis(2,4-pentanedionate)-dichlorotin[Sn(acac)2Cl2],insteadofasilylatingagentwasusedtolinkthelayersat180°C.Theobtainedmaterial,whichisdesignedasSn-COE-5,showsashiftofthefirstXRDreflection,whichisverysimilartothatofCOK-5interlayerexpandedwithdichlorodimethylsilane(DCDMS),indicatinganincreaseininterlayerdistance.X-raydiffraction(XRD),N2sorptionisotherms,inductivelycoupledplasma(ICP),andX-rayphotoelectronspectroscopy(XPS)supporttheincorporationofisolatedSnsitesinthesample.Intheconversionofglucosetolevulinicacid,Sn-COE-5exhibitsmuchhigheractivitythanCOK-5,whichisduetothepresenceofLewisacidicsitesintheSn-COE-5.
简介:Acylationreactionofanthracenewithoxalylchlorideinthepresenceof[Emim]C1-A1C13ionicliquidhasbeeninvestigated.Pure1,2-aceanthryenedione,whichisusedasintermediateoffunctionalaromaticpolymermaterial,wasobtainedbyrecrystallingthereactionmixturewithaetherandwasdeterminedbyGC/MS,1HNMRandFTIRanalysis.Theinfluencesofvariousparameters,suchasthecontentsofAlCl3in[Emim]C1-A1C13,theamountofacylationagent,amountof[Emim]C1-A1C13,reactiontemperatureandreactiontimewereinvestigated.Theoptimumconditionswereasfollows:themolarfractionofA1C13inionicliquid[x(AlCl3)]being0.67,molarratioofionicliquidtoanthracenebeing2:1,molarratioofoxalylchloridetoanthracenebeing2:1,reactiontemperaturebeing40℃andreactiontimebeing6h.Underaboveconditions,theyieldandselectivityof1,2-aceanthrylenedionecanreach91.5%and98.3%respectively.Furthermore,[Emim]C1-A1C13ionicliquid,comparedwithmetalhalidessuchasAlCl3,wasfoundtocatalyzethereactionasanovelenvironmentalfriendlycatalystandsolventandcanbereused.
简介:Variousagriculturalcropresiduesincludingcornstover,corncob,andsorghumstalkwithamoisturecontentof75wt%weresubjectedtoalongpretreatment(12-60h)withsupercriticalCO2(scCO2),atlowtemperature(50-80℃)andapressureof17.5-25.0Mpa.Thesugaryieldsfromtheenzymatichydrolysis(EH)ofthepretreatedsampleswereasmuchasthree-tofourfoldgreaterthanthoseaffordedbytherawmaterials.However,whenpretreatmentwasconductedwithinashorttime(e.g.0.5h),aspreviouslyreportedintheliterature,onlyaslightincreaseintheEHsugaryieldswasobserved.TheproposedscCO2pretreatmentmechanismdemonstratedtheroleofmoistureinthesystem.Wetting,softening,andswellingwereobservedtomainlyaffectthelignocellulosewhenasuitableamountofwaterwasadded.Finally,thesampleswereanalysedbyX-raydiffractionandscanningelectronmicroscopy,beforeandafterpretreatment,toinvestigatethechangesinthemicroscopicstructureofthebiomass.
简介:Kineticsofchloride/sulfate,chloride/nitrateandnitrate/sulfateforwardexchangesandreverseexchangesatsolutionconcentrationsof1N,0.2Nand0.02Non201×7strongbaseanionexchangeresin,respectively,havebeenexaminedat25℃.Itisfoundthattheforwardandthereverseexchangeratesofthetwogivenionsatlowsolutionconcentration,respectively,underidenticalconditionscanbecontrolledbydifferentmechanisms,whilethoseathighsolutionconcentrationareallcontrolledbyparticlediffusion.Theternaryexchangeratesofsulfate/(chloride+nitrate)andnitrate/(chloride+sulfate)havealsobeenexamined.
简介:Anovelgas-phaseelectrocatalyticcellcontainingalow-temperatureprotonexchangemembrane(PEM)wasdevelopedtoelectrochemicallyconvertCO2intoorganiccompounds.TwodifferentCu-basedcathodecatalysts(CuandCu-C)werepreparedbyphysicalvapordepositionmethod(sputtering)andsubsequentlyemployedforthegas-phaseelectroreductionofCO2atdifferenttemperatures(70-90℃).ThepreparedelectrodesCuandCu-CwerecharacterizedbyX-raydiffraction(XRD),X-rayphotoemissionspectroscopy(XPS)andscanningelectronmicroscopy(SEM).Asrevealed,CuispartiallyoxidizedonthesurfaceofthesamplesandtheCuandCu-Ccathodiccatalystswerecomprisedofaporous,continuous,andhomogeneousfilmwithnanocrystallineCuwithagrainsizeof16and8nm,respectively.Theinfluenceoftheappliedcurrentandtemperatureontheelectro-catalyticactivityandselectivityofthesematerialswasinvestigated.Amongthetwoinvestigatedelectrodes,thepureCucatalystfilmshowedthehighestCO2specificelectrocatalyticreductionratesandhigherselectivitytomethanolformationcomparedtotheCu-Celectrode,whichwasattributedtothehigherparticlesizeoftheformerandlowerCuO/Curatio.Theobtainedresultsshowpotentialinterestforthepossibleuseofelectrical「enewableenergyforthetransformationofCO2intovaluableproductsusinglowmetalloadingCubasedelectrodes(0.5mgCucm2)preparedbysputtering.
简介:Inthiswork,MoOxpromotedIr/SiO2catalystswerepreparedandusedfortheselectivehydrogenolysisoftetrahydrofurfurylalcohol(THFA)to1,5-pentanediolinacontinuousflowreactor.Theeffectsofdifferentnoblemetals(Ir,Pt,Pd,Ru,Rh),supportsandIrcontentswerescreened.Amongtheinvestigatedcatalysts,4wt%Ir-MoOx/SiO2withaMo/Iratomicratioof0.13exhibitedthebestcatalyticperformance.ThesynergybetweenIrparticlesandthepartiallyreducedisolatedMoOxspeciesattachedonthemisessentialfortheexcellentcatalyticperformanceofIr-MoOx/SiO2.ThecatalystexhibitedabetterhydrogenolysisefficiencyofTHFAwiththeselectivityof1,5-pentanediolof65%–74%ataconversionofTHFAof70%–75%whentheinitialTHFAconcentrationisrangingfrom20wt%and40wt%.AndhighersystempressurewasalsoinfavoroftheconversionofTHFA.Duringastabilitytest,theconversionofTHFAand1,5-pentanediolyieldoverIr-MoOx/SiO2decreasedwithreactiontime,whichcanbeexplainedbytheleachingofMospeciesduringthereaction.