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1、摘要同时，我们的模拟结果还统计了高分子链穿过微通道所需的时间τ与链长N，流量J和高分子链刚性1λP的关系。结果发现，当高分子链较长时，τ与链长N呈线性关系，且随着流量增大而逐渐变短；而1λP越大，刚性越强，τ越短。关键词：耗散粒子动力学,淬火,“无规线团-塌缩小球”转变,流场驱动,高分子链迁移IIAbstractAbstractTheequilibriumpropertiesanddynamicsbehaviorsofpolymersindilutesolutionundergovariousres
2、ponsestodifferentexternalchanges.Inrecentdecadesofyears,theextensiveinvestigationinthisareaisprimarilymotivatedbytheintensecurrentinterestinthebiophysicsproblems,e.g.proteinfolding;transportofproteinorsingle-strandDNAthroughmembranechannels.Besides,und
3、erstandingthefundamentalprocessofthesephenomenonshasabroadrangeofpotentialapplicationsinBiologicalEngineering,ChemicalEngineeringandsoon.Forexample,ithelpsdiagnosingsomediseaseswhicharecausedbymis-foldingofrelatedproteins;orithelpsrapidDNAsequencingind
4、ucedbyanelectricfield.Inthisarticle,weuseDissipativeParticleDynamicsmethodtoinvestigate“coil-globule”transitionandflowinducedpolymertranslocationthroughmicrochannels.First,weinvestigatethedynamicsbehaviorof“coil-globule”transition.Singlepolymerinsoluti
5、oncollapseswhensolventisquenchedfromgoodtopoor.Researchersgraduallynoticedthathydrodynamicsinteractionandsolvent-inducedmany-bodyeffectplayimportantrolesinthecollapsepathwayandtotalduration.DissipativeParticleDynamicsisamesoscopiccoarse-grainedsimulati
6、onmethodinwhichthetwoeffectsarepreservednaturallybyincorporatingexplicitsolventparticlesinthemodel.Oursimulationsuggestsafive-stagecollapsepathway:localizedclustersformation,clustercoarseninginsitu,coarseninginvolvingglobalbackboneconformationchange,ro
7、undingofaspheroidintoacrumpledglobule,andcompactionoftheglobule.Forallthequenchdepthsandchainlengthsusedinourstudy,collapseproceedsalong“pearl-necklace”pathwaywithoutthechaingettingtrappedinametastable“sausage”configuration,asreportedinsomeearlierstudi
8、es.Weobtainthetimescalesforeachofthefirstfourstages,aswellasitsscalingwiththequenchdepthsξandchainlengthsN.Thetotalcollapsetimescalesasτξ−,withthequenchdepthξanddegreeofpolymerizationN.c~N0.460.98IIIAbstractNext,thedynamicsofflow-induce
