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题名: Saturated sodium chloride solution under an external static electric field: A molecular dynamics study
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
学科分类: Physics
DOI: http://dx.doi.org/10.1088/1674-1056/24/12/126402
通讯作者: Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
文章类型: Article
合作性质: 国内
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.
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
项目资助者: National Basic Research Program of China [2013CB932804] ;  National Natural Science Foundation of China [91227115, 11274319, 11421063]
语种: 英语
Citation statistics: 
内容类型: 期刊论文
URI标识: http://ir.itp.ac.cn/handle/311006/21247
Appears in Collections:理论物理所计算集群成果_计算集群论文-标明致谢

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Recommended Citation:
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.
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