带电高分子以与嵌段共聚物自组装行为的模拟

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1、复旦大学硕士学位论文摘要AbstractManykindsofsoftmattersarewatersolubleastheionizationofthesurfacecharge，whichmakesthemself-assemblywithoppositelychargedobject．Incolloidscience，polyelectrolyteCallcomplexwithoppositelychargedcolloids，whichcanbeusedaspolymerbondtoaggregatethedisp

2、ersedparticles．Inbiologicalscience，DNAandRNAarepolyelectrolytewithnegativechargewhichCallformthebasicstructuresbythecomplexationwithoppositelychargedprotein．Thisisofgreatimportantingenedelivery,ofwhichthemainproblemistointroducegeneticmaterialintopatients’cellnucl

3、ei．Astheexistingofelectrostaticinteractions,alargenumberofchargedpointscallformspecialconfigurationonasphericalsurface．T11eclassical"Thomsonproblem”hasbeenstudiedforahundredyearsthoughitSOelnstObeverysimple．Alltheproblemsabovea”veryhotinrecentyears．Therearemanynew

4、fieldsinthestudyoftheself-assemblycausedbyelectrostaticinteractions．Thcresearchcontentofthethesisisarrangedinthefollowing：nefirstchapterisanintroduction．Wesummedupdifferenttheoriesusedintheresearchofself-assemblycausedbyelectrostaticinteractionandtheresearchofself

5、-assemblyofblockcopolymers．UsingLangevindynamics．wedothesimulationoftwokindsofsystemsiIlthesecondandthirdchapter：complexesofpolyelectrolytechainwithanumberofoppositelychargedspheres，andpolyelectrolytechainwithfiniteoppositelychargedcylinder．Wefmdthatthecomplexesof

6、polyelectrolytechainwithanumberofoppositelychargedspheresCallformthebeads-on-a-stringoraggregateconfiguration．Thedistancebetweeneachconnectedspherearenearlythesanleandincreasesastheincreaseofthesaltconcentration．Whenexternalforceisappliedattheendofthechain，thesphe

7、reswillunwindformthechain．TheunwindprocessCanbedividedintotwostepswhicharedifferentfordifferentsaltconcentration．Webuildafinitechargedcylinderbydiscretemethodandstudythedynamicsbetweenwhichandpolyelectrolytechain．Wefmdthathelicalconfigurationonlyexistsatspecialcon

8、ditions：thechainisdgid,thesurfacechargeddensityissmallandthecylinderisshort．Wediscussthereasonbycomparingthecontributionofeachitemintheenergy．Asforanexp