THE ELECTRICAL DOUBLE-LAYER IN WALL-WALL HYPERNETTED-CHAIN APPROXIMATION WITH BRIDGE FUNCTIONS

Citation
P. Attard et Sj. Miklavic, THE ELECTRICAL DOUBLE-LAYER IN WALL-WALL HYPERNETTED-CHAIN APPROXIMATION WITH BRIDGE FUNCTIONS, The Journal of chemical physics, 99(8), 1993, pp. 6078-6086
Citations number
38
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
99
Issue
8
Year of publication
1993
Pages
6078 - 6086
Database
ISI
SICI code
0021-9606(1993)99:8<6078:TEDIWH>2.0.ZU;2-B
Abstract
The wall-wall Ornstein-Zernike equation is formulated for the case of charged walls in a primitive model electrolyte. Numerical results are presented for the modified hypernetted chain (HNC) closure, which incl udes the effects of ion size and correlations. The bare HNC gives attr actions between like-charged surfaces rather too readily, but this is ameliorated by the inclusion of the first bridge diagram. The singlet approach is shown to be accurate in divalent electrolyte, and in the l arge separation asymptotic regime. The method is less reliable in dilu te monovalent electrolyte.