Discrete aqueous solvent effects and possible attractive forces

Details Discrete aqueous solvent effects and possible attractive forces Discrete aqueous solvent effects and possible attractive forces

2000-07-03

arxiv.org/abs/cond-mat/0007035v1

J. Chem. Phys. 114, 3271 (2001)

Physics

Condensed Matter

Soft Condensed Matter

12 figures in 16 files. 19 pages. Submitted to J. Chem. Phys., July 2000

Scientific paper

10.1063/1.1331569

We study discrete solvent effects on the interaction of two parallel charged surfaces in ionic aqueous solution. These effects are taken into account by adding a bilinear non-local term to the free energy of Poisson-Boltzmann theory. We study numerically the density profile of ions between the two plates, and the resulting inter-plate pressure. At large plate separations the two plates are decoupled and the ion distribution can be characterized by an effective Poisson-Boltzmann charge that is smaller than the nominal charge. The pressure is thus reduced relative to Poisson-Boltzmann predictions. At plate separations below ~2 nm the pressure is modified considerably, due to the solvent mediated short-range attraction between ions in the the system. For high surface charges this contribution can overcome the mean-field repulsion giving rise to a net attraction between the plates.

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