Saturated sodium chloride solution under an external static electric field: A molecular dynamics study

	Saturated sodium chloride solution under an external static electric field: A molecular dynamics study
	Ren, G; Wang, YT
刊名	CHINESE PHYSICS B
	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.
合作状况	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.
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
内容类型	期刊论文
源URL	[http://ir.itp.ac.cn/handle/311006/21247]
专题	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.