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.
polyelectrolyte, charge condensation, stars, rings, knots, topology, counter-ion distribution