期刊
MOLECULAR PHYSICS
卷 107, 期 4-6, 页码 343-347出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/00268970902758649
关键词
second contact theorem; planar double layer; Monte Carlo; modified Poisson-Boltzmann
A generalization of a recently advanced second contact theorem [Henderson and Boda, J. Electroanal. Chem. 582, 16 (2005)], a local contact condition for the charge profile of a symmetric valency restricted primitive model planar double layer at low electrode charge, is proposed to cater to asymmetric 2:1/1:2 electrolytes. Monte Carlo simulations performed for such asymmetric electrolytes at a set of physical states with different concentrations and temperatures present convincing evidence that the generalization of the Henderson-Boda expression is valid at low electrode charge. Theoretical support is provided by the corresponding modified Poisson-Boltzmann results, which are seen to follow the simulation data closely.
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