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Ren, G; Shi, R; Wang, YT; 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.
Structural, Dynamic, and Transport Properties of Concentrated Aqueous Sodium Chloride Solutions under an External Static Electric Field
Source PublicationJOURNAL OF PHYSICAL CHEMISTRY B
Language英语
KeywordParticle Mesh Ewald Electrolyte-solutions Osmotic Coefficients Dielectric Friction Molecular Simulation Ionic Liquids Monte-carlo Water Nacl Thermodynamics
AbstractIn 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.
2014
ISSN1520-6106
Volume118Issue:16Pages:4404-4411
Subject AreaPhysics
DOI10.1021/jp4118387
Indexed BySCI
Funding OrganizationNational 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) ; 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) ; 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) ; 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)
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Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/15779
Collection理论物理所科研产出_SCI论文
Corresponding AuthorWang, 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.
Recommended Citation
GB/T 7714
Ren, G,Shi, R,Wang, YT,et al. 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 Ren, G,Shi, R,Wang, YT,&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 Ren, G,et al."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.
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