Saturated sodium chloride solution under an external static electric field: A molecular dynamics study
文献类型：期刊论文
| 作者 | Ren, G; Wang, YT
|
| 刊名 | CHINESE PHYSICS B
 |
| 出版日期 | 2015 |
| 卷号 | 24期号:12页码:126402 |
| 关键词 | NaCl solution nucleation static external electric field molecular dynamics simulation |
| 通讯作者 | Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China. |
| 英文摘要 | The behavior of saturated aqueous NaCl solutions under a constant external electric field (E) was studied by molecular dynamics (MD) simulation. Our dynamic MD simulations indicated that the irreversible nucleation process towards crystallization is accelerated by a moderate E but retarded or even prohibited under a stronger E, which can be understood by the competition between self-diffusion and drift motion. The former increases with E, thereby accelerating the nucleation process, whereas the latter pulls oppositely charged ions apart under a stronger E, thereby decelerating nucleation. Additionally, our steady-state MD simulations indicated that a first-order phase transition occurs in saturated solutions at a certain threshold E-c. The magnitude of E-c increases with concentration because larger clusters form more easily when the solution is more concentrated and require a stronger E to dissociate. |
| 学科主题 | Physics |
| 类目[WOS] | Physics, Multidisciplinary |
| 关键词[WOS] | HOMOGENEOUS NUCLEATION ; AQUEOUS-ELECTROLYTE ; SIMULATIONS ; PHASE ; NACL ; CRYSTALLIZATION ; CONDENSATION ; AGGREGATION ; SEPARATION ; CLUSTERS |
| 收录类别 | SCI |
| 语种 | 英语 |
| 源URL | [http://ir.itp.ac.cn/handle/311006/20771]  |
| 专题 | 理论物理研究所_理论物理所1978-2010年知识产出 计算平台成果 |
| 推荐引用方式 GB/T 7714 | Ren, G,Wang, YT. Saturated sodium chloride solution under an external static electric field: A molecular dynamics study[J]. CHINESE PHYSICS B,2015,24(12):126402. |
| APA | Ren, G,&Wang, YT.(2015).Saturated sodium chloride solution under an external static electric field: A molecular dynamics study.CHINESE PHYSICS B,24(12),126402. |
| MLA | Ren, G,et al."Saturated sodium chloride solution under an external static electric field: A molecular dynamics study".CHINESE PHYSICS B 24.12(2015):126402. |
入库方式： OAI收割
来源：理论物理研究所
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