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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); Xu, SH (reprint author), Chinese Acad Sci, Inst Mech, Natl Micrograv Lab, Key Lab Micrograv, Beijing 100190, Peoples R China.
Source PublicationCOLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
2014-01-20
Volume441Pages:598-605
ISSN0927-7757
AbstractCompared 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.
KeywordMolecular Dynamics Charged Colloids Crystallization Voids
Subject Area物理力学
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Indexed BySCI ; EI
Language英语
WOS IDWOS:000329260800077
Funding OrganizationNational Natural Science Foundation of China [11172302, 20903112, 11302226, 10972217, 11032011]
DepartmentNML复杂流体
ClassificationQ3
Citation statistics
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/48252
Collection国家微重力实验室
Corresponding AuthorXu, SH (reprint author), Chinese Acad Sci, Inst Mech, Natl Micrograv Lab, Key Lab Micrograv, Beijing 100190, Peoples R China.
Recommended Citation
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,&Xu, SH .(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.
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