Effect of colloidal charge discretization in the primitive model

被引:57
|
作者
Messina, R [1 ]
Holm, C [1 ]
Kremer, K [1 ]
机构
[1] Max Planck Inst Polymerforsch, D-55128 Mainz, Germany
来源
EUROPEAN PHYSICAL JOURNAL E | 2001年 / 4卷 / 03期
关键词
D O I
10.1007/s101890170119
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 effect of fixed discrete colloidal charges in the primitive model is investigated for spherical macroions. Instead of considering a central bare charge, as it is traditionally done, we distribute discrete charges randomly on the sphere. We use molecular dynamics simulations to study this effect on various properties such as overcharging, counterion distribution and diffusion. In the vicinity of the colloid surface the electrostatic potential may considerably differ from the one obtained with a central charge. In the strong Coulomb coupling, se showed that the colloidal charge discretization qualitatively influences the counterion distribution and leads to a strong colloidal charge-counterion pair association. However we found that charge inversion still persists even if strong pair association is observed.
引用
收藏
页码:363 / 370
页数:8
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