Structural, Dynamic, and Transport Properties of Concentrated Aqueous Sodium Chloride Solutions under an External Static Electric Field

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	Structural, Dynamic, and Transport Properties of Concentrated Aqueous Sodium Chloride Solutions under an External Static Electric Field
	Wang, YT
刊名	JOURNAL OF PHYSICAL CHEMISTRY B
	2014
卷号	118 期号:16 页码:4404-4411
关键词	PARTICLE MESH EWALD ELECTROLYTE-SOLUTIONS OSMOTIC COEFFICIENTS DIELECTRIC FRICTION MOLECULAR SIMULATION IONIC LIQUIDS MONTE-CARLO WATER NACL THERMODYNAMICS
ISSN号	1520-6106
通讯作者	Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, 55 East Zhongguancun Rd,POB 2735, Beijing 100190, Peoples R China.
英文摘要	In the absence of an external electric field, it has already been known that ion clusters are formed instantaneously in moderately concentrated ionic solutions. In this work, we use molecular dynamics (MD) simulations to investigate the changes of structural, dynamic, and transport properties in a sodium chloride solution under an external electric field from the ion cluster perspective. Our MD simulation results indicate that, with a strong external electric field E (>= 0.1 V/nm) applied, ion clusters become smaller and less net charged, and the structures and dynamics as well as transport properties of the ion solution become anisotropic. The influence of the cluster structure and shell structure to transport properties was analyzed and the Einstein relation was found invalid in this system.
学科主题	Physics
收录类别	SCI
资助信息	National Basic Research Program of China (973 Program) [2013CB932804]; National Natural Science Foundation of China [91227115, 11121403]; Hundred Talent Program of the Chinese Academy of Sciences (CAS)
原文出处	http://dx.doi.org/10.1021/jp4118387
语种	英语
WOS记录号	WOS:000335113600016
公开日期	2015-06-03
内容类型	期刊论文
源URL	[http://ir.itp.ac.cn/handle/311006/15779]
专题	理论物理研究所_理论物理所1978-2010年知识产出
推荐引用方式 GB/T 7714	Wang, YT. Structural, Dynamic, and Transport Properties of Concentrated Aqueous Sodium Chloride Solutions under an External Static Electric Field[J]. JOURNAL OF PHYSICAL CHEMISTRY B,2014,118(16):4404-4411.
APA	Wang, YT.(2014).Structural, Dynamic, and Transport Properties of Concentrated Aqueous Sodium Chloride Solutions under an External Static Electric Field.JOURNAL OF PHYSICAL CHEMISTRY B,118(16),4404-4411.
MLA	Wang, YT."Structural, Dynamic, and Transport Properties of Concentrated Aqueous Sodium Chloride Solutions under an External Static Electric Field".JOURNAL OF PHYSICAL CHEMISTRY B 118.16(2014):4404-4411.