Molecular dynamics study of homogeneous and inhomogeneous phase in charged colloids: The influence of surface charge density

	Molecular dynamics study of homogeneous and inhomogeneous phase in charged colloids: The influence of surface charge density
	欧阳文泽; Zhou HW(周宏伟); Xu SH(徐升华); Sun ZW(孙祉伟)
刊名	COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
	2014-01-20
通讯作者邮箱	xush@imech.ac.cn;sunzw@imech.ac.cn
卷号	441 页码:598-605
关键词	Molecular dynamics Charged colloids Crystallization Voids
ISSN号	0927-7757
通讯作者	Xu, SH (reprint author), Chinese Acad Sci, Inst Mech, Natl Micrograv Lab, Key Lab Micrograv, Beijing 100190, Peoples R China.
产权排序	[Ouyang, Wenze; Zhou, Hongwei; Xu, Shenghua; Sun, Zhiwei] Chinese Acad Sci, Inst Mech, Natl Micrograv Lab, Key Lab Micrograv, Beijing 100190, Peoples R China
中文摘要	Compared with previous Mote Carlo (MC) simulations with 432 particles, molecular dynamics (MD) simulations with much larger number of particles have been carried out to investigate the dynamic process of the structural ordering and voids formation in charge stabilized colloidal suspensions. Sogami and Ise (SI) potential which has a long-range attraction is used to represent the interaction between colloidal particles. As increasing the surface charge density on the colloidal particles, the data obtained from the simulations, such as the crystallization, bcc-fcc phase transition, homogeneous to inhomogeneous transition and the voids formation, are in agreement with previous observations of MC simulations and experiments. The effects of particle number used in the simulations are studied in detail. MD simulations in highly charged colloidal system with small sizes show very few crystallized particles, in accord with the results of MC simulations. However, the structure in the system with larger number of particles is always the voids coexisting crystallites instead of a glasslike or disordered inhomogeneous phase, indicating that the glasslike or disordered phase region obtained at very high charge density in small system is an artifact produced by very limited number of particles used in the simulations. Therefore, SI potential is not applicable for explaining the reentrant transition of highly charged colloidal systems.
学科主题	物理力学
分类号	Q3
收录类别	SCI ; EI
资助信息	National Natural Science Foundation of China [11172302, 20903112, 11302226, 10972217, 11032011]
原文出处	http://dx.doi.org/10.1016/j.colsurfa.2013.10.013
语种	英语
WOS记录号	WOS:000329260800077
公开日期	2014-02-21
内容类型	期刊论文
源URL	[http://dspace.imech.ac.cn/handle/311007/48252]
专题	力学研究所_国家微重力实验室
推荐引用方式 GB/T 7714	欧阳文泽,Zhou HW,Xu SH,et al. Molecular dynamics study of homogeneous and inhomogeneous phase in charged colloids: The influence of surface charge density[J]. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,2014,441:598-605.
APA	欧阳文泽,周宏伟,徐升华,&孙祉伟.(2014).Molecular dynamics study of homogeneous and inhomogeneous phase in charged colloids: The influence of surface charge density.COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS,441,598-605.
MLA	欧阳文泽,et al."Molecular dynamics study of homogeneous and inhomogeneous phase in charged colloids: The influence of surface charge density".COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS 441(2014):598-605.