简介：Twooxo-vanadium(IV)complexes,[VO(C2O4)(2,2′-bipy)(H2O)]·C2H5OH(1)andVO(C2O4)(phen)(H2O)(2),where2,2′-bipy=2,2′-bipyridyl,phen=1,10-phenanthroline,weresynthesizedaspotentialfunctionalmodelsofvanadiumhaloperoxidases(VHPOs)inmixedsolventofethanolandwateratroomtemperature.Thecomplexeswerecharacterizedbyelementalanalysis,infrared(IR),UV-VisandX-raycrystallography.Structuralanalysesshowedthatvanadiumatomwascoordinatedbyaterminaloxygen,oneoxygenatomfromcoordinatedwater,twooxygenatomsfromthecarboxylategroupofoxalicacid,andtwonitrogenatoms(N1andN2)from2,2′-bipy/phen.Centralvanadiumatomsincomplexes1and2werebothinadistorted-octahedralenvironment,andsomeintermolecularhydrogenbondinglinkageswerealsoobservedineachcomplex.BrominationreactionactivityofthetwocomplexeswasevaluatedwithphenolredasorganicsubstrateinthepresenceofH2O2,Br-andphosphatebuffer,indicatingthattheycanbeconsideredasapotentialfunctionalmodelofVHPO.Inaddition,thermalanalysiswasalsoperformedanddiscussedindetail.

简介：在未采取预电离措施的情况下，研究了纯sf6气体及sf6/h29sf6/c2h6两种混合气体激光介质脉冲放电特性。实验结果表明，无预电离时SF68其混合气体介质可以实现自引发体放电，气体介质体放电维持电压主要由SF,;含量决定，C2H6具有抑制电弧的作用，可以有效延长体放电维持时间。分析认为，sf66体高折合场强E/P导致的放电通道电流密度受限和高电负度■引起的放电通道中负离子分解产生二次电子，是介质实现自引发体放电的重要机理。

简介：含有ONO给体原子的N-邻甲氧基苯甲酰基水杨酰肼配体与[VO(acac)2]在乙醇中反应得到钒(V)酰配合物VO[(C15H12N2O4)(OC2H5)].标题化合物晶体属三斜晶系,空间群Pī,晶胞参数:a＝0.89411(5)nm,b＝1.0063(2)nm,c＝1.0392(2)nm,α＝110.171(7)°,β＝95.219(3)°,γ＝93.822(2)°;V＝0.8692(2)nm3,Z＝2,R1＝0.0513,wR＝0.1532.研究结果表明:钒原子具有扭曲的四方锥配位构型,钒酰氧原子处在锥顶位置,配体的3个给体原子与溶剂分子形成锥底平面.

简介：利用水热方法制备了一个新的过渡金属镉配合物[Cd（1，3-BDC）（L）（H2O）2]·H2O（1，3-H2BDC=间苯二甲酸，L=2-（3-吡啶基）-1H-苯并咪唑），并通过元素分析、红外光谱和X-射线单晶衍射方法确定了该配合物的晶体结构．结构分析表明该配合物属于单斜晶系，P21／c空间群，晶胞参数a=1．01641（6）nm，b=2．08842（12）nm，C=1．00l38（6）nm，β=106．3360（10）°，V=2．0398（2）nm3，Z=4，R1=0．0207，wR2=0．494．配合物中CdⅡ“离子与L配体的1个吡啶N原子、1，3-BDC的4个氧原子和2个配位水的O原子配位，形成七配位的扭曲十面体结构．配体1，3-BDC的桥连相邻的CdⅡ离子形成一维聚合物链，相邻链间通过氢键和π…π作用形成三维超分子网络，并对该配合物的热稳定性和荧光性质进行了研究．

简介：摘要随着我国经济的不断发展，我国网络自动化技术的发展也在逐步加快。在实际电网运营的过程中，广大自动化设备也会发挥着自身的额作用。目前，10kV的配电自动化设备在运行的过程中存在诸多问题，其分布的区域、网络节点和其他内容都会存在诸多困难。本文全面分析10kV配电自动化设备与一体化运维模式的运作方式。

简介：SelectivelyconvertingCOandH2togasolineproduct(isoparaffinandolefin)inonestepstillremainsagreatchallenge.WedemonstrateeffectiveH-USYzeolitesupportednano-cobaltbifunctionalcatalystsforthiscatalyticreaction,whicharepreparedbythenovelphysicalsputteringprocess.Particlesofthesputteredcobaltexistinnano-levelandarewell-dispersedonacidUSYzeolite.Easyactivationoftheloadednano-cobaltisalsoachievedinalow-temperaturehydrogenreductionatmosphere.Inthetandemcatalyticreaction,thesputteredbifunctionalCo/USYcatalystexhibitsamuchhigherCOconversionandhigherisoparaffinselectivitythantheconventionalimpregnatedone.ComparedwithH-Mor,H-Betaandotherzeolitessupportedcatalysts,H-USYzeolitesupportedcobaltcatalystshowstheclearestpromotionaleffectontheactivityofFischerTropschsynthesis.Thedescribedsynthesishereinprovidesanewpathwaytosolvetheproblemcausedbythestrongmetal-supportinteraction(MSI)inheterogeneouscatalysis.

简介：介绍h--有限元素方法在混合变化明确的表达之上基于为的p三地司烧方程和线性化的非牛顿的流动。从问题H产生的代数学的系统的计算[潜水艇h]；方法论；结果和讨论。

简介：￣１ＨＡＮＤ￣（１３）ＣＮＭＲＳＴＵＤＹＯＦＩＮＣＬＵＳＩＯＮＣＯＭＰＬＥＸＡＴＩＯＮＯＦＤＳＳＷＩＴＨβ－ＣＹＣＬＯＤＥＸＴＲＩＮ￥ＱｉｎｇＸｉａｎｇＧＵＯ；ＴａｎＲＥＮ；ＺｉＺｈｏｎｇＬＩａｎｄＹｏｕＣｈｅｎｇＬＩＵ（ＮａｔｉｏｎａｌＬａｂｏｒａ...

简介：Inthispaper,weinvestigatethefiniteelementA-φmethodtoapproximatetheeddycurrentequationswithdiscontinuouscoefficientsingeneralthree-dimensionalLipschitzpolyhedraleddycurrentregion.Nonmatchingfiniteelementmeshesontheinterfaceareconsideredandoptimalerrorestimatesareobtained.

简介：对凸角域上的Neumann问题△u+au＝finΩ，эu/эn＝0onэΩ，这里α≥0是Ω上的有界可测函数且不恒为0，我们证明了：若f∈L^2（Ω)，则解u∈H^2(Ω)，且有正则性估计‖u‖2.0≤C‖f‖0.Ω。

简介：PhotocatalyticH2productionhasemergedasoneofthemostcleanandpromisingrenewableenergysources.InspiteoftheeffortstoobtainefficientphotocatalystsabletoproduceH2fromSunlightandwater,thereisstilltheneedtopreparecheaperandenvironmentalfriendlierphotocatalysts.Phosphatebasedmaterialscouldbegoodcandidatestofulfilltheserequirements.InthismanuscriptwehavepreparedasetofmixedTi3+/Ti4+valence,open-frameworktitaniumphosphates（of-TiPO4）andmixedtitaniumoxide/phosphatederivatives（cr-TiP）,correlatingtheirstructureandcompositionwiththephotocatalyticactivityforH2production.Wedeterminedthatmixedtitaniumoxide/phosphatecrystallinephasesproducedenhancedH2evolutionunderSunsimulatedlightirradiationthanmixedTi3+/Ti4+valence,open-frameworktitaniumphosphatesandtitaniumoxidephases.

简介：InthispaperwestudytheconvergencenfaclassofmeansonHp（G）（0

简介：Inamixedsolventofaceticacid(AcOH)/water,methylenediphenyldicarbamate(MDC)wassynthesizedbythecondensationofmethylphenylcarbamate(MPC)andformaldehydeinthepresenceofaninorganicacidcatalyst.BasedonthedifferentsolubilitiestoMPCandMDC,themixedsolventshowedhighercatalyticperformancethanpurewater.ThemixedsolventnotonlypromotedthecondensationofMPCbutasloexhibitedtheadvantageoftheproductseparationwiththereactants.Undertheoptimizedconditions:aH_2SO_4massfractionof31%,areactiontemperatureof95℃andreactiontimeof3.5h,theyieldofMDCreached74.3%.Inaddition,therecycleofthesolventwasalsoinvestigated.

简介：

简介：OpticallypureL-butyllactatewassynthesizedbynormaltransesterificationusingnafion-Hcatalystinmoderateyield.Variousreactionconditionswereinvestigated,includingthereactiontemperature,reactiontime,ratioofthestartingmaterialandamountofthenafioncatalyst.

简介：利用Gaussian-94计算程序中的B3LYP方法,在6-311+G(2d)6d基组下,对Si5,Si5H3,Si5H6,Si5Li3和Si5Na3原子簇的几何结构进行优化和频率计算.结果表明,Si5原子簇中最稳定的具有D3h对称性的结构中,位于同一平面上的3个Si原子确实具有剩余的成键能力,可以与3个H,Li,Na原子和6个H原子形成稳定的化合物.研究还发现,虽然H,Li和Na都属同一主族,但它们与Si5原子簇中Si原子的键连方式却不同,而且它们的加入,对Si5原子簇的'三角双锥'结构也有不同的影响.

简介：三聚氰胺并且poly，vinylpyrrolidone(PVP)乐意地与整洁的硫磺的酸反应了也就是形成二新器官的稳固的酸三聚氰胺--(H2SO4)3并且PVP-(H2SO4)n。这些稳固的酸面对NH4NO3象另外的酚一样被用于bisphenolA的第一硝代。Mono-nitro和di-nitrobisphenolA与红外和1HNMR技术被描绘了。

简介：Thecombinationofboth4,4′-bipyridine(4,4′-bipy)anddihydrogenphosphateanionligandswithcopper(Ⅱ)resultsintheformationofanovellayeredcompoundCu(4,4′-bipy)2(H2PO4)2(H2O)2.ThecrystalstructurecomprisesdiscreteneutralCu(4,4′-bipy)2(H2PO4)2(H2O)2units.Thecopperatom,locatedonthecrystallographictwofoldaxis,iscoordinatedwithtwonitrogenatomsofterminal4,4′-bipyligandsandtwowatermoleculesattheequatorialpositions,andtwodihydrogenphosphateoxygenatomsattheaxialpositions,forminganelongatedoctahedron.Thecomplexisatwo-dimensionaldistortedrhomboidalnetworkpossessingtwokindsofrhomboidswithdimensionsofca.1.6792nm×0.3203nmand1.2778nm×0.3198nm,respectively.Thetwo-dimensionalnetworksarestackedparallellyoneachotheralongc-axistogiveanextendedthree-dimensionalchannelnetworkwithaninterlayerdistanceofca.0.5030nm.Crystaldata:triclinic,spacegroupP-1,a=1.0253(2)nm,b=1.4501(3)nm,c=0.79715(16)nm,α=97.91(3)°,β=90.99(3)°,γ=85.54(3)°,V=1.1703(4)nm3,Z=2,R=0.0892,wR=0.2451.

简介：用量子化学B3LYP/6-311＋G（d,p）方法优化了H2ClCS单分子分解反应驻点物种的几何构型,并在相同水平上通过频率计算和内禀反应坐标（IRC）分析对过渡态结构及连接性进行了验证.用QCISD（T）/6-311＋＋G（d,p）方法计算各物种的单点能,并对总能量进行了零点能校正.利用经典过渡态理论（TST）与变分过渡态理论（CVT）并结合小曲率隧道效应模型（SCT）,计算了主反应通道在200K～2000K温度范围内的速率常数kTST,kCVT和kCVT/SCT.结果表明,H2ClCS存在8条可能的裂解通道,可生成产物P1（HCS＋HCl）,P2（CSH＋HCl）,P3（H2S＋CCl）和P4（ClHCS＋H）.所有反应均为吸热反应.相对于H2ClCS,各产物能量分别为60.9,222.9,275.7和156.9kJ.mol-1.通道H2ClCS→TS3→P1的反应势垒为81.5kJ.mol-1,是标题反应的主反应通道,其余通道为次反应通道.在200K～2000K温度区间内得到主反应通道的表观反应速率常数三参数表达式为.kCVT/SCT=8.7610T0.79exp（-4053.6/T）s-1.

简介：Duetolowactivationcharacteristics,desirablehigh-temperaturestrength,goodresistancetoradiationdamageandusablefabricationproperties,vanadium(V)alloysareattractivecandidatestructuralmaterialsforfusionreactors[1].Irradiationinducedhardening/embrittlementatlowtemperatureisamajorproblemforthematerialsapplicationinfusionreactor[2].Inthisstudy,H/Heionswithvariousenergieswereusedtoirradiateapurevanadium(V)andaValloy(V-4Ti)toobtainadamageplateaufromsamplesurfacetothedepthof1.5m,asshowninFig.1[3].Thedetailsofirradiationparameters(energies,fluences)forHandHeionsareshowninTable1.NanoindentationwasperformedtoinvestigatethehardeningbehaviorofV-4TialloyandpureVunderirradiation.