Polyelectrolyte electrophoresis and sedimentation of polymers [Elektronische Ressource] : a mesoscale simulation study / vorgelegt von Sandra Frank

Polyelectrolyte electrophoresis andsedimentation of polymers: a mesoscalesimulation studyVon der Fakult¨at fu¨r Mathematik, Informatik und Naturwissenschaften derRWTH Aachen University zur Erlangung des akademischen Grades einerDoktorin der Naturwissenschaften genehmigte Dissertationvorgelegt vonDiplom-PhysikerinSandra Frankaus TrierBerichter: apl. Prof. Dr. Roland G. WinklerProf. Dr. Walter SelkeTag der letzten mu¨ndlichen Pru¨fung: 27.06.2008Diese Dissertation ist auf den Internetseiten der Hochschulbibliothek onlineverfu¨gbar.AbstractIn order to gain insight into sedimentation of polymers and polyelectrolyteelectrophoresis in presence of hydrodynamic interactions, computer simulations(MD and MPCD) are applied. We investigate dynamical and conformationalproperties of the polymer chains by determining characteristic quantities like,e.g., mobility, diffusion coefficient, radius of gyration, and end-to-end distance.Weobtainadetailedpicturebyvaryingchainlengthandstrengthoftheexternal(gravitationalorelectric)field. Intheelectrophoresisstudy,weadditionallyvarythe Coulomb interaction strength.As for sedimentation, we find that for weak gravitational fields the mobilitiesof small chains can be described within the Zimm model for polymers with ex-cluded volume interactions. Above a critical chain length, as well as for largergravitational fields, a completely different behavior is found.