Structural, Dynamic, and Transport Properties of Concentrated Aqueous Sodium Chloride Solutions under an External Static Electric Field
文献类型：期刊论文
| 作者 | Wang, YT
|
| 刊名 | JOURNAL OF PHYSICAL CHEMISTRY B
 |
| 出版日期 | 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 |
| 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. |
入库方式： OAI收割
来源：理论物理研究所
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