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Counter-ion distribution around flexible polyelectrolytes having different molecular architecture



Alexandros Chremos, Jack F. Douglas


We explore the coupling between configurational shape of flexible highly-charged polyelectrolytes of variable topology (linear chain, star, unknotted and trefoil ring) and the counter-ion distribution by molecular dy-namics simulations that include an explicit solvent. Although the counter-ions exert a strong influence on chain configuration that is greatly influenced by polymer topology, we find a universal two-scale localization of the counter-ions about the polymeric structures with correlation lengths on the scale of the Debye length and polymer radius of gyration, respectively.
Soft Matter


polyelectrolyte, charge condensation, stars, rings, knots, topology, counter-ion distribution
Created January 30, 2016, Updated January 27, 2020