Diffusion behavior of polyelectrolytes in dilute solution: coupling effects of hydrodynamic and Coulomb interactions

doi:10.1007/s11426-014-5125-8

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	Diffusion behavior of polyelectrolytes in dilute solution: coupling effects of hydrodynamic and Coulomb interactions
	Liu LiJun; Chen JiZhong; Chen WenDuo; Li LiangYi; An LiJia
刊名	SCIENCE CHINA-CHEMISTRY
	2014-07-01
卷号	57 期号:7 页码:1048-1052
关键词	Polyelectrolytes Diffusion Coefficient Hydrodynamic Interactions Coulomb Interactions Bjerrum Length
ISSN号	1674-7291
DOI	10.1007/s11426-014-5125-8
英文摘要	The diffusion behavior of polyelectrolytes in dilute salt-free solution is studied through a hybrid mesoscale simulation technique that combines the molecular dynamics method and the multiparticle collision dynamics approach. To elucidate the effects of hydrodynamic interactions (HI), we compare results for hydrodynamic and random solvents. When HI are taken into account, we find that the chain diffusivity decreases initially and then increases gradually with the increasing strength of the Coulomb interaction. By contrast, when HI are switched off, the electrostatic-dependent diffusivity shows three distinct regions, and a plateau of approximately constant diffusivity manifests between two decreasing regions. The findings reveal that the dynamics of polyelectrolytes in dilute solution depend on the coupling effects of hydrodynamic and Coulomb interactions, and that these dynamics can be understood by considering the conformational changes of chains, the counterion condensation, and the dynamics of counterions.
语种	英语
出版者	SCIENCE PRESS
WOS记录号	WOS:000338450800018
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/52551]
专题	中国科学院化学研究所
通讯作者	Chen JiZhong
作者单位	Chinese Acad Sci, Changchun Inst Appl Chem, State Key Lab Polymer Phys & Chem, Changchun 130022, Peoples R China
推荐引用方式 GB/T 7714	Liu LiJun,Chen JiZhong,Chen WenDuo,et al. Diffusion behavior of polyelectrolytes in dilute solution: coupling effects of hydrodynamic and Coulomb interactions[J]. SCIENCE CHINA-CHEMISTRY,2014,57(7):1048-1052.
APA	Liu LiJun,Chen JiZhong,Chen WenDuo,Li LiangYi,&An LiJia.(2014).Diffusion behavior of polyelectrolytes in dilute solution: coupling effects of hydrodynamic and Coulomb interactions.SCIENCE CHINA-CHEMISTRY,57(7),1048-1052.
MLA	Liu LiJun,et al."Diffusion behavior of polyelectrolytes in dilute solution: coupling effects of hydrodynamic and Coulomb interactions".SCIENCE CHINA-CHEMISTRY 57.7(2014):1048-1052.