Density functional theory for polyelectrolytes near oppositely charged surfaces.
We report a nonlocal density functional theory of polyelectrolyte solutions that faithfully accounts for both short- and long-range correlations neglected in a typical mean-field method. It is shown that for systems with strong electrostatic interactions, the long-range correlations are subdued by direct Coulomb attractions, thereby manifesting strong local excluded-volume effects. The theory has also been used to describe the influence of the polyion chain length and small ion valence on charge inversion due to the adsorption of polyelectrolytes at an oppositely charged surface.
Department of Chemical and Environmental Engineering, University of California, Riverside, California 92521-0444, USA.
Zhidong
Z
Li
Jianzhong
J
Wu
D004573:Electrolytes / Q000737:chemistry*; D007477:Ions / Q000737:chemistry*; D008956:Models, Chemical; D009010:Monte Carlo Method; D011108:Polymers / Q000737:chemistry*; D055672:Static Electricity
D004573:Electrolytes; D007477:Ions; D011108:Polymers