简介:Concerningthetheoreticalestimationofinternalreorganizationenergycontributedbythetortionalmotionbetweenbiphenylandbiphenylanionradical,directcalculationofself-exchangeelectrontransferreactionwasinvestigated.Withtheintroductionofaproperaveragebondlengthandangleparameters,amultiplesteprelaxationNelsonmethodwasdevelopedtodealwiththetorsionalreorganizationenergyλt.pwithanapproximationofλt,1wasachieved.Theresultsof0.140and0.125eVoftorsionalreorganizationenergyforacross-reactionatthelevelsof4-31GandHP/DZP,respectively,areingoodagreenmentwiththevalueof0.13eVobtainedbyMilleretal.fromtheratemeasurements.ThisimpliestheefficiencyandvalidityofoourmethodtoestimatethereorganizationenergycontributedbypuretorisonalmotionofBp.
简介:EthylN-cyanomethytbenzenecarboximidatereactedwithaliphaticaldehydesunderthesolid-liquidPTCconditiontogirea-ethoxyphenylmethylene-aminoacrylonitrilederivativesandoxazolinederivatives.Itisaconvenientandnewmethodforsynthesisofβ,β’-dihyroxy-a-aminoacidsbyhydrolysisoftheoxazolinederivatives.
简介:Heattransferintheevacuatedcollectortubeisathree-dimensionallaminarnaturalconvectionproblemdrivenbybuoyancy.Becauseofitscomplexity,noeffectivetheoreticalmodelisavailabledespiteoflimitedexperimentalworkwhichisconfinedtooneaspect.Thepresentworkaimstodepicttheconvectiveheattransferinsideatwo-endedinclinedtubewithEast-Westsymmetricheatinputusingnumericalmethods,Basedonreasonableassumptions,governingequationsoftheinsidefluidareestablished.Thecorrespondingdiscretizatedequationsaresolvedbyemplogyingnumericalmetholds.Thecalculatedresultsaredisplayedforvelocityandtemperatureprofilesondifferentcross-sectionalplasnes.whichpresenttheflowpatterncharacterizedbyupflowanddownflowalongtheaxialdirectionandadherentflowalongtheperipheraldirection,andtheheattransferrpocessfromthewalltothecenter,Furthermore,thetransientNusseltnumberandaveragetemperaturelevelareshownanddiscussed.Finally,theparametriceffectsofthetuberadiusandtheheatinputontheflowandheattransferarealsogiven.
简介:BasedonthePennes’bioheattransferequation,asimplifiedone-dimensionalbioheattransfermodelofthecylindricallivingtissuesinthesteadystatehasbeensetupforapplicationinlimbandwholebodyheattransferstudies,andbyusingtheBessel’sequation,itscorrespondinganalyticsolutionhasbeenderivedinthispaper.Withtheobtainedanalyticsolution,theeffectsofthethermalconductivity,thebloodperfusion,themetabolicheatgeneration,andthecoefficientofheattransferonthetemperaturedistributioninlivingtissuesareanalyzed.Theresultsshowthatthederivedanalyticsolutionisusefultoeasilyandaccuratelystudythethermalbehaviorofthebiologicalsystem,andcanbeextendedtosuchapplicationsasparametermeasurement,temperaturefieldreconstructionandclinicaltreatment.
简介:Theboilingbehavioroftheliquidnitrogen(LN2)underthetransienthighheatfluxurgentlyneedstoberesearchedsystematically.Inthispaper,thehighpowershortpulsedurationlaserwasusedtoheatthesaturatedLN2rapidly,andthehigh-speedphotographyaidedbythesparklightsystemwasemployedtotakeseriesofphotoswhichdisplayedtheprocessofLN2'sboilingbehaviorundersuchconditions.Also,aspecialtemperaturemeasuringsystemwasappliedtorecordthetemperaturevariationoftheheatingsurface.TheexperimentsindicatedthatanexplosiveboilinghappenedwithinLN2bythelaserheating,andaconventionalboilingfollowedupafterthenewly-definedchangeovertime.Byanalyzingthetemperaturevariationoftheheatingsurface,itisfoundthatthelatentheatreleasedbythecrackofthebubblesinthebubbleclusterinducedbytheexplosiveboilingisanimportantfactorthatgreatlyinfluencestheboilingheattransfermechanism.
简介:Asasuccessiveworkofourpreviouspaper,^1theelectrontransfermatrixelement(Vrp)intheoxidationofthesimplifiedmodelmoleculeofα-aminocarbon-centeredradicalbyO2hasbeeninvestigatedwithabinitiocalculationatthelevelofUHF/6-31G**.Basedontheoptimizedgeometriesofthereactgantandtheion-paircomplexobtainedpreviously,thereactionheatandtheiunerreorganizationenergyhavebeenobtainedbyconstructingthepotentialenergycurvesofreactantandproductstatesconsideringthesolventeffectwiththeconductor-likescreeningmodel(COSMO).ThesolventreorganizationenergyhasbeenestimatedusingLippert-Matagarelationship.ThecalculatedresultsshowthatthevalueofVrpisseveraltimeslargerthanthatofRT,whichmeansthatthemodelreactionisanadiabaticone.Theoreticalinvestigationindicatesthatthesolventeffectonthedirectelectrontransfer(ET)processofoxidationofα-aminocarbon-centeredradicalbyoxygenisremarkable.
简介:ThecharacteristicsofradiationanddryingpropertiesofTiO2bulbinthefixedbedwithinfraredradiationhavebeenstudiedinthispaper,andtheexperimentsondryingdynamicshasbeenanalysedalso.Theoptimizationofheatandmasstransferdatahasbeendetermined,whichcouldprovidethescientificbasisengineeringdesign.
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。
简介:Asaspecialgeologicalphenomenon,thecharacterofcollapsibleloessfoundationiscollapsiblewhenpenetratedbywater.Thischaracterleadstothesoillosingloadbearingcapacitylargelyandmayleadtofoundationfailure.Pileisapopularfoundationusedincollapsibleloess.Thesqueezedbranchandplatepileisanewtypeofpiledevelopedinrecentyearsandhasnotbeusedinaprojectbefore.Inthispaperthreesqueezedbranchandplatepilesaretestedincollapsibleloessafterimmersionprocessing.Theresultsmaybeusedforreferenceinsimilarconstructionproject,andtoprovidetheoreticalreferencesforde-signingofthesqueezedbranchandplatepilesinengineeringpractice.
简介:Thefirstorderdifferentialmatrixequationsofthehostshellandconstrainedlayerforasandwichrotationalshellarederivedbasedonthethinshelltheory.Employingthelayerwiseprincipleandfirstordersheardeformationtheory,onlyconsideringtheshearingdeformationoftheviscoelasticlayer,theintegratedfirstorderdifferentialmatrixequationofapassiveconstrainedlayerdampingrotationalshellisestablishedbycombiningwiththenormalequilibriumequationoftheviscoelasticlayer.Ahighlyprecisetransfermatrixmethodisdevelopedbyextendedhomogeneouscapacityprecisionintegrationtechnology.Thenumericalresultsshowthatpresentmethodisaccurateandeffective.
简介:DensityFunetionalTheory(DFT)methodwasusedinthispapertostudyone-carbontransferfrom1.10-tetrahydroquinoxalinc,ananalogucoftetrahydrofolicaeid,tomethylamine.Thisreaetioncanbecompletedviatwopaths.Fromthecomputationresultwecanconcludethaiageneral-aeidcatalysisexistsinthisreaction.BycomputationwefindDFThasitslimitationindeseribinganewlyincorporatedstructurewithaunitcharge.
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。
简介:ThelaserphotolysisofN-diisopropylphosphoryltryptophyltyrosinedipeptidemethylester(N-DiPP-TrpH-TyrOH)hasbeencarriedoututilizingaKrF(248nm)laser.ThedirectintramolecularETbetweenTrpH+residueandTyrOHresiduewasdetectedfirstandtheETbetweenTrpandTyrOHbecameslow.Itwassuggestedthatphosphorylgroupstabilizeneighbourradicalofaromaticringbyhyperconjugation.IncombinationwithcomputermodelingweobtainedthekineticparametersoftheETandprovedthatphosphorylgroupstookpartintheprocessofET.Theresultsshouldbesignificantforbiologicalsystemsinceeverybiologicalprocessinvolvesthephosphorylationornonphosphorylation.
简介:Thispaperstudiesmixedconvection,doubledispersionandchemicalreactioneffectsonheatandmasstransferinanon-Darcynon-Newtonianfluidoveraverticalsurfaceinaporousmediumundertheconstanttemperatureandconcentration.Thegoverningboundarylayerequations,namely,momentum,energyandconcentration,areconvertedtoordinarydifferentialequationsbyintroducingsimilarityvariablesandthenaresolvednumericallybymeansoffourth-orderRunge-Kuttamethodcoupledwithdouble-shootingtechn...
简介:Thispaperproposesanexperimentallyfeasibleschemeforimplementingquantumdensecodingoftrapped-ionsystemindecoherence-freestates.Asthephasechangesduetotimeevolutionofcomponentswithdifferenteigenenergiesofquantumsuperpositionarecompletelyfrozen,quantumdensecodingbasedonthismodelwouldbeperfect.TheschemeisinsensitivetoheatingofvibrationalmodeandBellstatescanbeexactlydistinguishedviadetectingtheionicstate.