Atomistic nature of NaCl nucleation at the solid-liquid interface
文献类型：期刊论文
| 作者 | Yang, Y ; Meng, S |
| 刊名 | JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 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 |
| 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). |
入库方式： OAI收割
来源：物理研究所
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