Three-body potential amongst similarly or differently charged cylinder colloids immersed in a simple electrolyte solution

被引:24
作者
Zhou, S. [1 ]
机构
[1] Cent S Univ, Sch Phys & Elect, Changsha 410083, Hunan, Peoples R China
来源
JOURNAL OF STATISTICAL MECHANICS-THEORY AND EXPERIMENT | 2015年
基金
中国国家自然科学基金;
关键词
charged fluids (theory); ASYMMETRIC ELECTROLYTES; ATTRACTION; LIMIT; MODEL;
D O I
10.1088/1742-5468/2015/11/P11030
中图分类号
O3 [力学];
学科分类号
08 ; 0801 ;
摘要
2D classical density functional theory (CDFT) calculations are performed for three similarly or differently charged cylinder colloids immersed in a 1 : 1 electrolyte solution. Three-body potential is extracted from the calculated grand potential information and main conclusions reached for the three-body potential are summarized as follows: (i) It is indicated that even in the electrostatic systems only involved with the 1 : 1 electrolyte solution and characterized with coupling parameters less than 1.0, wherein the Poisson-Boltzmann equation (PBE) is generally believed to be reliable, the PBE predicts the three-body potential to be in partial conflict with those calculated by the CDFT, whereas the CDFT calculations are in qualitative agreement with computer simulations in similar situations; (ii) The CDFT three-body potential is characterized with a repulsion at short distances plus an attraction even in the 1 : 1 electrolyte solution or a repulsion at large distances (depending on solution conditions) and a continuous decay to zero at longer distances, and the attraction tends to become weaker with the counter-ion diameter; (iii) Given a constant total surface charge magnitude on the three cylinder rods, the three-body potential tends to become less repulsive when the three rods are similarly charged, and conversely, tends to be less attractive when the three rods are differently charged; and (iv) When the three-rod system is differently charged, the three-body potential is relatively insensitive to the counter-ion diameter. Based on analysis of the 3D density profiles of the salt ions calculated by the CDFT, the above findings are explained by a 'hydrogen-bond' type mechanism augmented by an aggregation repulsion effect.
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页数:27
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