简介:密度功能的理论(DFT)被采用了调查电子struc-turgsEMM+(1-emyl-3-methylimidazolium+),CuCl_2~-,Cu2Cl3~-CuCl_2~-,EMIM+-Cu2Cl3-和EMIM+-CuCl_2~-,EMIM+-Cu2Cl3-对。完整,EMIM~+的优化和频率分析,CuCl2,Cu2Cl_3~-,八起始的EMIM+-CuCl_2~-,并且六起始,EMTM+-Cu2Cl_3~-几何学在6-31+G用Gaussian-94软件包裹被执行了(d,p)基础,为氢的集合水平,碳,氮,氯原子和Hay-Wadt为铜原子的有效核心潜力。EMIM+-CuCl_2~-的最低精力的电子结构,EMIM+-Cu2Cl_3~-pairs,单身地,EMIM+,CuCl_2~-,和Cu_2Cl_3~-比较地被学习了。计算结果证明最低精力的优化EMIM+-CuCl_2~-对conformer是到有距离的CuCl_2~-飞机的五戒指一半平行在3.5A附近,当最低精力的EMIM+-Cu2Cl_3~-对conformer是对有在终端氯原子和EMIM+.The的5戒指飞机之间的约3.0A的距离的Cu2Cl_3~-飞机垂直的EMIM+的五戒指一半时,在阳离子和阴离子之间的结合是静电的相互作用和C-H-Cl氢键被费用帮助增强。频率分析建议因为想象的频率的缺席,所有静止的点是最小的点。EMIM~+的笨重不对称现象引起的相互作用的低精力,和阳离子和阴离子的费用分散产生离子的液体EMTM+-CuCl_2~-,和EMTM+-Cu2Cl_3~-的低融化的点;在阳离子和阴离子之间的距离引起的.The相互酌能被单个点精力调查扫描。
简介:以2,3-二氯萘醌与氨气为原料,甲醇作溶剂,制备了2-氨基-3-氯-1,4-茶醌。考察了反应条件对产品收率的影响,得到最件工艺条件:在二氯萘醌用量为0.1mol,氨与二氯萘醌的物质的量比为6,氨甲醇溶液含量15%~17%,反应温度20~25℃,反应时间4h,产品收率可达96%。
简介:研究了用N,N-二乙胺基偶氮二异丁脒盐酸盐(ABEP)和NaHSO3组成的复合引发体系,以丙烯酰胺(AM)和二甲基二烯丙基氯化铵(DMDAAC)为单体,失水山梨醇脂单油酸酯(Span-80)和壬基酚聚氧乙烯醚(OP-10)为复合乳化剂,以液体石蜡为连续相,在反相微乳液中制备PAM/DMDAAC阳离子型共聚物。探讨了乳化剂用量、单体摩尔比、引发剂用量、油水比、溶液的pH对共聚物的特性粘数和转化率的影响。结果表明,在优化反应条件下可得到转化率为98.7%、特性粘数为1879.4mL·g^-1的共聚物。
简介:Nitrobenzene-containingindustrialwastewaterwasdegradedinthepresenceofozonecoupledwithH2O2byhighgravitytechnology.Theeffectofhighgravityfactor,H2O2concentration,pHvalue,liquidflow-rate,andreactiontimeontheefficiencyforremovalofnitrobenzenewasinvestigated.TheexperimentalresultsshowthatthehighgravitytechnologyenhancestheozoneutilizationefficiencywithO3/H2O2showingsynergisticeffect.ThedegradationefficiencyintermsoftheCODremovalrateandnitrobenzeneremovalratereached45.8%and50.4%,respectively,underthefollowingreactionconditions,viz.:ahighgravityfactorof66.54,apHvalueof9,aH2O2/O3molarratioof1:1,aliquidflowrateof140L/h,anozoneconcentrationof40mg/L,aH2O2multipledosingmodeof6mL/h,andareactiontimeof4h.Comparedwiththeperformanceofconventionalstirredaerationmixers,thehighgravitytechnologycouldincreasetheCODandnitrobenzeneremovalraterelatedwiththenitrobenzene-containingwastewaterby22.9%and23.3%,respectively.
简介:研究了Pd/Nb2O5—Al2O3催化剂的制备方法及用于丙酮加氢合成MIBK的催化性能。实验结果表明,在反应温度160℃,反应压力4MPa条件下,丙酮单程转化率为40%,MIBK选择性为92%。
简介:Throughimprovingtheagingprocessduringsynthesisofthesupport,γ-Al2O3withlargeporevolumeandhighsurfaceareawassynthesizedbyafacilesecondaryreformingmethod.Thesynthesisparameters,suchasthereactiontemperature,thefirstagingtemperatureandthesecondagingtemperature,wereinvestigated.Thetexturalpropertiesofγ-Al2O3werecharacterizedbymeansofN2adsorption-desorptionisotherms,X-raypowderdiffractometry(XRD),scanningelectronmicroscopy(SEM),Fouriertransforminfrared(FTIR)spectroscopyandthermogravimetry(TG).TheexperimentalresultsindicatedthatAACHandamorphousAlOOHweretheprecursorsofalumina,whichwereformedviaprecipitationfromsolutionsafterreactionofaluminumsulphatewithammoniumhydrogencarbonate.Theprecursornanocrystallitesgrewandre-assembledduringthesecondaryreformingprocess,whichresultedinanincreasedporesizeandporevolumeandadecreasedbulkdensity.Theas-synthesizedγ-Al2O3materialsfeaturedmeso/macroporosity,largeporevolume(2.175cm3/g),highsurfacearea(237.8m2/g),andlowbulkdensity(0.284g/mL).
简介:Inthisstudy,titaniumdioxidesupportedbymulti-walledcarbonnanotubes(MWCNTs/TiO2)andCr-dopedTiO2supportedbyMWCNTs(MWNTs/Cr-TiO2)weresynthesizedbythesol-gelmethod.Thepreparedsampleswerecharacterizedbytransmissionelectronmicroscopy,X-rayphotoelectronspectroscopy,X-raydiffraction,theBrunauerEmmett-Telleranalysis,andtheRamanspectroscopy.TheoxidationandefficiencyforremovalofSO2inasimulatedfluegaswereinvestigatedexperimentallyinafixed-bedreactor.The15%MWCNTs/Cr-Ti02sampledisplayedexcellentadsorptionproperties,andaSO2removalrateequatingto30.4151mg/gfromthesimulatedfluegascontaining2300μg/gofSO2,8%of02,and5%ofH20wasachievedunderoptimalconditionscoveringatemperatureof333.15K,andaspacevelocityof1275h^-1.TheadsorptionprocesswasenhancedbecauseCrdopingmodifiedtheporestructureandinhibitedthegraingrowthofTiO2.Inaddition,theFreundlichandLangmuirmodelsrevealedthatSO2wasmainlyadsorbedthroughchemicaladsorptiononthesamplesurfaces,andthethermodynamicmodelanalysisindicatedthattheadsorptionwasaspontaneous,exothermic,andentropy-reducingprocess.TheadsorptionkineticsofSO2canbedescribedbythepseudosecond-orderkineticandtheBanghamdynamicsmodels.Thepossiblereactionmechanisminvolvedindesulfurizationprocesswasalsoproposed.