带电高分子以与嵌段共聚物自组装行为的模拟

带电高分子以与嵌段共聚物自组装行为的模拟

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时间:2019-06-25

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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

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