Electrostatic correlations near charged planar surfaces

被引:3
|
作者
Deng, Mingge [1 ]
Karniadakis, George Em [1 ]
机构
[1] Brown Univ, Div Appl Math, Providence, RI 02912 USA
来源
JOURNAL OF CHEMICAL PHYSICS | 2014年 / 141卷 / 09期
关键词
POISSON-BOLTZMANN EQUATION; ELECTRIC DOUBLE-LAYERS; IONS; COUNTERIONS; INVERSION; FORCES; SIZES;
D O I
10.1063/1.4894053
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
Electrostatic correlation effects near charged planar surfaces immersed in a symmetric electrolytes solution are systematically studied by numerically solving the nonlinear six-dimensional electrostatic self-consistent equations. We compare our numerical results with widely accepted mean-field (MF) theory results, and find that the MF theory remains quantitatively accurate only in weakly charged regimes, whereas in strongly charged regimes, the MF predictions deviate drastically due to the electrostatic correlation effects. We also observe a first-order like phase-transition corresponding to the counterion condensation phenomenon in strongly charged regimes, and compute the phase diagram numerically within a wide parameter range. Finally, we investigate the interactions between two likely-charged planar surfaces, which repulse each other as MF theory predicts in weakly charged regimes. However, our results show that they attract each other above a certain distance in strongly charged regimes due to significant electrostatic correlations. (C) 2014 AIP Publishing LLC.
引用
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页数:8
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