Ion-ion correlations: an improved one-component plasma correction
Abstract
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.
Cite
@article{arxiv.cond-mat/9910364,
title = {Ion-ion correlations: an improved one-component plasma correction},
author = {Marcia C. Barbosa and Markus Deserno and Christian Holm},
journal= {arXiv preprint arXiv:cond-mat/9910364},
year = {2009}
}
Comments
5 pages, 2 figures, revtex style