A (N,V,T) Monte Carlo study of the long-range electrostatic coupling between a large collection of charged colloidal platelets

被引:12
作者
Meyer, S [1 ]
Levitz, P [1 ]
Delville, A [1 ]
机构
[1] CNRS, CRMD, 1B Rue Ferollerie, F-45071 Orleans 02, France
关键词
D O I
10.1021/jp011439w
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 [物理化学]; 081704 [应用化学];
摘要
Monte Carlo simulations of the organization of charged anisotropic colloids are performed to illustrate the possible electrostatic origin of the microsegregation and the flocculation recently detected for aqueous suspensions of Laponite clay. In the framework of a hierarchical approach, the long-range electrostatic coupling is treated by a multipole expansion. A set a simulation biases (cavity, orientation, and Rosenbluth samplings) are used to improve the acceptance ratio of the particle displacements. The potential of mean force, obtained from the ratio of the radial distribution functions calculated for charged and neutral platelets, exhibits an attraction resulting from the electrostatic coupling only.
引用
收藏
页码:9595 / 9602
页数:8
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