学科分类
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336 个结果
  • 简介:Concerningthetheoreticalestimationofinternalreorganizationenergycontributedbythetortionalmotionbetweenbiphenylandbiphenylanionradical,directcalculationofself-exchangeelectrontransferreactionwasinvestigated.Withtheintroductionofaproperaveragebondlengthandangleparameters,amultiplesteprelaxationNelsonmethodwasdevelopedtodealwiththetorsionalreorganizationenergyλt.pwithanapproximationofλt,1wasachieved.Theresultsof0.140and0.125eVoftorsionalreorganizationenergyforacross-reactionatthelevelsof4-31GandHP/DZP,respectively,areingoodagreenmentwiththevalueof0.13eVobtainedbyMilleretal.fromtheratemeasurements.ThisimpliestheefficiencyandvalidityofoourmethodtoestimatethereorganizationenergycontributedbypuretorisonalmotionofBp.

  • 标签: 电子转移反应 能量 有机体系 反应机理
  • 简介:边界层转移一个完全倾斜的盘子借助于热转移大小被学习了。一个热流动传感器被开发了,为表面或流动的各种各样的类型转以便测量对流的热的效率。它在经常的温度的操作允许热流动的直接、快的大小。现在的纸报导传感器的发展并且在取决于外部流动的入射角的边界层介绍它的应用程序给转变的学习。在批评雷纳兹数字和压力坡度参数之间的一种指数的关系被发现了。

  • 标签: 层流 湍流 边界层 传热测量 斜板 对流
  • 简介:EthylN-cyanomethytbenzenecarboximidatereactedwithaliphaticaldehydesunderthesolid-liquidPTCconditiontogirea-ethoxyphenylmethylene-aminoacrylonitrilederivativesandoxazolinederivatives.Itisaconvenientandnewmethodforsynthesisofβ,β’-dihyroxy-a-aminoacidsbyhydrolysisoftheoxazolinederivatives.

  • 标签: HYDROLYSIS ETHYL SOLID aromatic ALDEHYDES condensation
  • 简介:Heattransferintheevacuatedcollectortubeisathree-dimensionallaminarnaturalconvectionproblemdrivenbybuoyancy.Becauseofitscomplexity,noeffectivetheoreticalmodelisavailabledespiteoflimitedexperimentalworkwhichisconfinedtooneaspect.Thepresentworkaimstodepicttheconvectiveheattransferinsideatwo-endedinclinedtubewithEast-Westsymmetricheatinputusingnumericalmethods,Basedonreasonableassumptions,governingequationsoftheinsidefluidareestablished.Thecorrespondingdiscretizatedequationsaresolvedbyemplogyingnumericalmetholds.Thecalculatedresultsaredisplayedforvelocityandtemperatureprofilesondifferentcross-sectionalplasnes.whichpresenttheflowpatterncharacterizedbyupflowanddownflowalongtheaxialdirectionandadherentflowalongtheperipheraldirection,andtheheattransferrpocessfromthewalltothecenter,Furthermore,thetransientNusseltnumberandaveragetemperaturelevelareshownanddiscussed.Finally,theparametriceffectsofthetuberadiusandtheheatinputontheflowandheattransferarealsogiven.

  • 标签: 自然对流 热传导 主热管道
  • 简介:BasedonthePennes’bioheattransferequation,asimplifiedone-dimensionalbioheattransfermodelofthecylindricallivingtissuesinthesteadystatehasbeensetupforapplicationinlimbandwholebodyheattransferstudies,andbyusingtheBessel’sequation,itscorrespondinganalyticsolutionhasbeenderivedinthispaper.Withtheobtainedanalyticsolution,theeffectsofthethermalconductivity,thebloodperfusion,themetabolicheatgeneration,andthecoefficientofheattransferonthetemperaturedistributioninlivingtissuesareanalyzed.Theresultsshowthatthederivedanalyticsolutionisusefultoeasilyandaccuratelystudythethermalbehaviorofthebiologicalsystem,andcanbeextendedtosuchapplicationsasparametermeasurement,temperaturefieldreconstructionandclinicaltreatment.

  • 标签: bioheat transfer Pennes’ equation ANALYTIC solution
  • 简介:Theboilingbehavioroftheliquidnitrogen(LN2)underthetransienthighheatfluxurgentlyneedstoberesearchedsystematically.Inthispaper,thehighpowershortpulsedurationlaserwasusedtoheatthesaturatedLN2rapidly,andthehigh-speedphotographyaidedbythesparklightsystemwasemployedtotakeseriesofphotoswhichdisplayedtheprocessofLN2'sboilingbehaviorundersuchconditions.Also,aspecialtemperaturemeasuringsystemwasappliedtorecordthetemperaturevariationoftheheatingsurface.TheexperimentsindicatedthatanexplosiveboilinghappenedwithinLN2bythelaserheating,andaconventionalboilingfollowedupafterthenewly-definedchangeovertime.Byanalyzingthetemperaturevariationoftheheatingsurface,itisfoundthatthelatentheatreleasedbythecrackofthebubblesinthebubbleclusterinducedbytheexplosiveboilingisanimportantfactorthatgreatlyinfluencestheboilingheattransfermechanism.

  • 标签: 爆炸沸腾 脉冲激光加热 液态氮气 状态转换时间
  • 简介:StudiesontheElectronTransferCentersofAminoOxidaseImmobilizedonSelf┐AsemblyMonolayerUsingElectrochemicalMethods*LIJing-hong,CH...

  • 标签: Direct ELECTROCHEMISTRY SELF assembled MONOLAYER AMINO
  • 简介:Asasuccessiveworkofourpreviouspaper,^1theelectrontransfermatrixelement(Vrp)intheoxidationofthesimplifiedmodelmoleculeofα-aminocarbon-centeredradicalbyO2hasbeeninvestigatedwithabinitiocalculationatthelevelofUHF/6-31G**.Basedontheoptimizedgeometriesofthereactgantandtheion-paircomplexobtainedpreviously,thereactionheatandtheiunerreorganizationenergyhavebeenobtainedbyconstructingthepotentialenergycurvesofreactantandproductstatesconsideringthesolventeffectwiththeconductor-likescreeningmodel(COSMO).ThesolventreorganizationenergyhasbeenestimatedusingLippert-Matagarelationship.ThecalculatedresultsshowthatthevalueofVrpisseveraltimeslargerthanthatofRT,whichmeansthatthemodelreactionisanadiabaticone.Theoreticalinvestigationindicatesthatthesolventeffectonthedirectelectrontransfer(ET)processofoxidationofα-aminocarbon-centeredradicalbyoxygenisremarkable.

  • 标签: 溶解能 电子转移 理论研究 基体元素 氧化物 反应机理
  • 简介:ThecharacteristicsofradiationanddryingpropertiesofTiO2bulbinthefixedbedwithinfraredradiationhavebeenstudiedinthispaper,andtheexperimentsondryingdynamicshasbeenanalysedalso.Theoptimizationofheatandmasstransferdatahasbeendetermined,whichcouldprovidethescientificbasisengineeringdesign.

  • 标签: 热传导 TiO2 烘干 红外辐照
  • 简介:有在粒子沉重的狂暴的隧道流动的热转移上的不同的特定的热的惯性的粒子的效果用直接数字的模拟(DNS)和追踪方法的Lagrangian粒子被学习。模拟使用一个双向联合模型考虑在粒子和骚乱之间的动量和热相互作用。温度回答的学习表演与不同的特定的热粒子和没有粒子的流动显示粒子沉重的流动之间的差别,显示特定的热是的粒子在粒子沉重的流动影响热转移进程的一个重要因素。粒子沉重的流动的热转移能力逐渐地随粒子的增加增加特定的热,这被发现。这由于对热转移的粒子增加的积极贡献。另外,粒子沉重的流动的Nusselt数字与没有粒子的流动的相比。有大特定的热的粒子加强狂暴的流动的热转移,这被发现,当那些与小特定的热削弱狂暴的流动的热转移时。

  • 标签: 指导数字模拟(DNS ) 追踪途径的 Lagrangian 加热转移 粒子沉重的狂暴的流动 O359 76T20
  • 简介:Asaspecialgeologicalphenomenon,thecharacterofcollapsibleloessfoundationiscollapsiblewhenpenetratedbywater.Thischaracterleadstothesoillosingloadbearingcapacitylargelyandmayleadtofoundationfailure.Pileisapopularfoundationusedincollapsibleloess.Thesqueezedbranchandplatepileisanewtypeofpiledevelopedinrecentyearsandhasnotbeusedinaprojectbefore.Inthispaperthreesqueezedbranchandplatepilesaretestedincollapsibleloessafterimmersionprocessing.Theresultsmaybeusedforreferenceinsimilarconstructionproject,andtoprovidetheoreticalreferencesforde-signingofthesqueezedbranchandplatepilesinengineeringpractice.

  • 标签: 静电理论 建筑结构 负载 岩土力学
  • 简介:Thefirstorderdifferentialmatrixequationsofthehostshellandconstrainedlayerforasandwichrotationalshellarederivedbasedonthethinshelltheory.Employingthelayerwiseprincipleandfirstordersheardeformationtheory,onlyconsideringtheshearingdeformationoftheviscoelasticlayer,theintegratedfirstorderdifferentialmatrixequationofapassiveconstrainedlayerdampingrotationalshellisestablishedbycombiningwiththenormalequilibriumequationoftheviscoelasticlayer.Ahighlyprecisetransfermatrixmethodisdevelopedbyextendedhomogeneouscapacityprecisionintegrationtechnology.Thenumericalresultsshowthatpresentmethodisaccurateandeffective.

  • 标签: 旋转壳 矩阵法分析 阻尼特性 阻尼振动 一阶剪切变形理论 传递
  • 简介:DensityFunetionalTheory(DFT)methodwasusedinthispapertostudyone-carbontransferfrom1.10-tetrahydroquinoxalinc,ananalogucoftetrahydrofolicaeid,tomethylamine.Thisreaetioncanbecompletedviatwopaths.Fromthecomputationresultwecanconcludethaiageneral-aeidcatalysisexistsinthisreaction.BycomputationwefindDFThasitslimitationindeseribinganewlyincorporatedstructurewithaunitcharge.

  • 标签: DFT 密度泛函理论 量子化学 1 10-四氢喹喔啉 一碳单元转移反应 反应机理
  • 简介:试验性的研究长证明了在在热力学的状态不是的supercritical的液体的围住墙的狂暴的流动的力量对流的热转移精确地由关联预言在subcritical为单相的液体被开发了热力学的状态。在现在的计算学习,狂暴的流动的统计性质以及在zero-pressure-gradient平板边界层的协调流动结构的开发当身体力量不在时被调查,在工作液体在supercritical是热力学的状态的地方。模仿的边界层为二热流动被开发到250的一个磨擦雷纳兹数字到相应于正常的热转移和改进的热转移被观察的案例的集体流动的比率。在改进的热转移被观察的地方,在情况中,近墙的协调流动结构的spanwise间距被减少由于一相对不太稳定的流动环境源于墙正常粘性坡度侧面的更低的大小。

  • 标签: 直接数值模拟 平板边界层 超临界水 对流换热 压力梯度 热力学状态
  • 简介:ThelaserphotolysisofN-diisopropylphosphoryltryptophyltyrosinedipeptidemethylester(N-DiPP-TrpH-TyrOH)hasbeencarriedoututilizingaKrF(248nm)laser.ThedirectintramolecularETbetweenTrpH+residueandTyrOHresiduewasdetectedfirstandtheETbetweenTrpandTyrOHbecameslow.Itwassuggestedthatphosphorylgroupstabilizeneighbourradicalofaromaticringbyhyperconjugation.IncombinationwithcomputermodelingweobtainedthekineticparametersoftheETandprovedthatphosphorylgroupstookpartintheprocessofET.Theresultsshouldbesignificantforbiologicalsystemsinceeverybiologicalprocessinvolvesthephosphorylationornonphosphorylation.

  • 标签: Electron TRANSFER phosphorylated PEPTIDE PHOTOLYSIS
  • 简介:Thispaperstudiesmixedconvection,doubledispersionandchemicalreactioneffectsonheatandmasstransferinanon-Darcynon-Newtonianfluidoveraverticalsurfaceinaporousmediumundertheconstanttemperatureandconcentration.Thegoverningboundarylayerequations,namely,momentum,energyandconcentration,areconvertedtoordinarydifferentialequationsbyintroducingsimilarityvariablesandthenaresolvednumericallybymeansoffourth-orderRunge-Kuttamethodcoupledwithdouble-shootingtechn...

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  • 简介:为-bromo--keto酉旨的合成的一个有效bromination协议被开发了。在PEG-400(poly(乙烯glycol-400)),许多-keto酉旨在房间温度与NBS(N-bromosuccinimide)被对待有选择地在优秀收益负担得起相应-monobromination产品。反应在温和、环境地良性、没有催化剂的条件下面被进行,是引人注目的。

  • 标签: 溴化作用 Β-酮酸酯 α-溴-β-酮酸酯 N-溴琥珀酰亚胺 PEG-400
  • 简介:Thispaperproposesanexperimentallyfeasibleschemeforimplementingquantumdensecodingoftrapped-ionsystemindecoherence-freestates.Asthephasechangesduetotimeevolutionofcomponentswithdifferenteigenenergiesofquantumsuperpositionarecompletelyfrozen,quantumdensecodingbasedonthismodelwouldbeperfect.TheschemeisinsensitivetoheatingofvibrationalmodeandBellstatescanbeexactlydistinguishedviadetectingtheionicstate.

  • 标签: 量子密度编码 截留离子 自由脱离状态 量子学