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

被引:28
作者
ATTARD, P
MIKLAVIC, SJ
机构
[1] Department of Physics, Faculty of Science, Australian National University, Canberra
[2] Food Technology, and Physical Chemistry 2, Chemical Center, University of Lund, S-221 00, Lund
关键词
D O I
10.1063/1.465905
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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 includes the effects of ion size and correlations. The bare HNC gives attractions 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 large separation asymptotic regime. The method is less reliable in dilute monovalent electrolyte.
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页码:6078 / 6086
页数:9
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