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Saturated sodium chloride solution under an external static electric field: A molecular dynamics study
Ren, G; Wang, YT; Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
2015
发表期刊CHINESE PHYSICS B
卷号24期号:12页码:126402
文章类型Article
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.
关键词Nacl Solution Nucleation Static External Electric Field Molecular Dynamics Simulation
学科领域Physics
资助者National Basic Research Program of China [2013CB932804] ; National Basic Research Program of China [2013CB932804] ; National Natural Science Foundation of China [91227115, 11274319, 11421063] ; National Natural Science Foundation of China [91227115, 11274319, 11421063] ; National Basic Research Program of China [2013CB932804] ; National Basic Research Program of China [2013CB932804] ; National Natural Science Foundation of China [91227115, 11274319, 11421063] ; National Natural Science Foundation of China [91227115, 11274319, 11421063]
DOIhttp://dx.doi.org/10.1088/1674-1056/24/12/126402
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
资助者National Basic Research Program of China [2013CB932804] ; National Basic Research Program of China [2013CB932804] ; National Natural Science Foundation of China [91227115, 11274319, 11421063] ; National Natural Science Foundation of China [91227115, 11274319, 11421063] ; National Basic Research Program of China [2013CB932804] ; National Basic Research Program of China [2013CB932804] ; National Natural Science Foundation of China [91227115, 11274319, 11421063] ; National Natural Science Foundation of China [91227115, 11274319, 11421063]
WOS类目Physics, Multidisciplinary
引用统计
文献类型期刊论文
条目标识符http://ir.itp.ac.cn/handle/311006/20771
专题理论物理所2015年知识产出
通讯作者Wang, YT (reprint author), Chinese Acad Sci, Inst Theoret Phys, State Key Lab Theoret Phys, Beijing 100190, Peoples R China.
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GB/T 7714
Ren, G,Wang, YT,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,&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.
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