Ion-ion correlations: an improved one-component plasma correction

Details Ion-ion correlations: an improved one-component plasma correction Ion-ion correlations: an improved one-component plasma correction

1999-10-22

arxiv.org/abs/cond-mat/9910364v1

Europhys. Lett. 52 (2000) 80

Physics

Condensed Matter

Soft Condensed Matter

5 pages, 2 figures, revtex style

Scientific paper

10.1209/epl/i2000-00407-y

Based on a Debye-Hueckel approach to the one-component plasma we propose a new free energy for incorporating ionic correlations into Poisson-Boltzmann like theories. Its derivation employs the exclusion of the charged background in the vicinity of the central ion, thereby yielding a thermodynamically stable free energy density, applicable within a local density approximation. This is an improvement over the existing Debye-Hueckel plus hole theory, which in this situation suffers from a "structuring catastrophe". For the simple example of a strongly charged stiff rod surrounded by its counterions we demonstrate that the Poisson-Boltzmann free energy functional augmented by our new correction accounts for the correlations present in this system when compared to molecular dynamics simulations.

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