An improved closure for the Born–Green–Yvon equation for the electric double layer
- 15 March 1986
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 84 (6) , 3327-3335
- https://doi.org/10.1063/1.450267
Abstract
An extensive series of calculations are made to compare an improved closure of the Born–Green–Yvon (BGY) equation for the electric double layer of primitive electrolytes to existing Monte Carlo simulation and other theories, such as the modified Poisson–Boltzmann (version 5) (MPB5) and the hypernetted chain/mean spherical approximation (HNC/MSA), and its recent improvements. In contrast to these theories the BGY equation satisfies the contact theorem always. Furthermore, the bulk pair correlation functions used are the most accurate available, namely, the HNC bulk results. The results show very good general agreement to the computer work for high densities and surface charges. In particular, we are able to go to higher densities than those hitherto published in the literature. For low density 2–2 and 2–1 electrolytes, the agreement is not as good as for the other theories.Keywords
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