Atomistic nature of NaCl nucleation at the solid-liquid interface

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	Atomistic nature of NaCl nucleation at the solid-liquid interface
	Yang, Y ; Meng, S
刊名	JOURNAL OF CHEMICAL PHYSICS
	2007
卷号	126 期号:4
关键词	MOLECULAR-DYNAMICS SIMULATION PARTICLE MESH EWALD CRYSTAL-NUCLEATION POLARIZABLE WATER AQUEOUS-SOLUTIONS FREE-ENERGY CRYSTALLIZATION COLLOIDS SURFACE MODELS
ISSN号	0021-9606
通讯作者	Yang, Y: Chinese Acad Sci, Inst Phys, POB 603, Beijing 100080, Peoples R China.
中文摘要	The early stage of heterogeneous nucleation of NaCl from supersaturated NaCl aqueous solution at the water-NaCl (001) interface has been investigated by molecular dynamics simulations. The critical size of the nuclei for spontaneous growth was found to be as small as two atoms (a Na+-Cl- ion pair) at high supersaturation. Due to the presence of a relatively stable water network and the effect of the hydration force at the interface, the stable nuclei formed on the NaCl (001) are found to contain more Na+ ions than Cl- ions. The different deposition characteristics of the Na+ and Cl- solutes lead to a positively charged substrate and thus may introduce another driving force for nucleation besides the level of solution supersaturation. The role of water was further confirmed by comparison with NaCl epitaxy growth in the vacuum.
收录类别	SCI
语种	英语
公开日期	2013-09-17
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/34060]
专题	物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文
推荐引用方式 GB/T 7714	Yang, Y,Meng, S. Atomistic nature of NaCl nucleation at the solid-liquid interface[J]. JOURNAL OF CHEMICAL PHYSICS,2007,126(4).
APA	Yang, Y,&Meng, S.(2007).Atomistic nature of NaCl nucleation at the solid-liquid interface.JOURNAL OF CHEMICAL PHYSICS,126(4).
MLA	Yang, Y,et al."Atomistic nature of NaCl nucleation at the solid-liquid interface".JOURNAL OF CHEMICAL PHYSICS 126.4(2007).