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Abstract: The dynamic behavior of polyelectrolyte chains in the oligomer range isinvestigated with coarse-grained molecular dynamics simulation and compared todata obtained by two different experimental methods, namely capillaryelectrophoresis and electrophoresis NMR. We find excellent agreement ofexperiments and simulations when hydrodynamic interactions are accounted for inthe simulations. We show that the electrophoretic mobility exhibits a maximumin the oligomer range and for the first time illustrate that this maximum isdue to the hydrodynamical shielding between the chain monomers. Our findingsdemonstrate convincingly that it is possible to model dynamic behavior ofpolyelectrolytes using coarse grained models for both, the polyelectrolytechains and the solvent induced hydrodynamic interactions.



Author: Kai Grass, Ute Böhme, Ulrich Scheler, Hervé Cottet, Christian Holm

Source: https://arxiv.org/







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