The solvation of NaCl in model water with different hydrogen bond strength
文献类型：期刊论文
| 作者 | Gu, B.1,2,3; Zhang, F. S.1,2,4; Wang, Z. P.1,2; Zhou, H. Y.1,2 |
| 刊名 | JOURNAL OF CHEMICAL PHYSICS
 |
| 出版日期 | 2008-11-14 |
| 卷号 | 129页码:7 |
| 关键词 | hydrogen bonds reaction kinetics theory sodium compounds solvation solvent effects |
| ISSN号 | 0021-9606 |
| DOI | 10.1063/1.3002485 |
| 英文摘要 | Based on hybrid water models, we design a series of solvent environments with different hydrogen bond strength and study the solvation of NaCl in them. The microstructures and dynamical behaviors of solvents and ion solutes are presented in detail to trace the correlations between the hydrogen bond strength of water and the solvation mechanism of the ions. In the process of the solvation of NaCl, the balance of the competition between breaking original solvent structures and formation of hydration shells around ions is sensitive to the hydrogen bonding ability of water. The results indicate that NaCl is most ideally dissolved in natural water with the strongest hydration effects around both cations and anions. In solvents with both reduced and enhanced hydrogen bond strength, the ions are more inclined to be in contact or aggregate into clusters of different sizes. These phenomena show that appropriate hydrogen bond strength is crucial for water's natural dissolving capacity. |
| WOS关键词 | MOLECULAR-DYNAMICS SIMULATION ; ATMOSPHERIC CONDITIONS ; COMPUTER-SIMULATIONS ; ION-PAIRS ; CLUSTER ; ORDER ; POTENTIALS ; CL |
| 资助项目 | National Natural Science Foundation of China[10575012] ; National Natural Science Foundation of China[10435020] ; Science Foundation of Beijing City ; Beijing Normal University |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000260944300035 |
| 出版者 | AMER INST PHYSICS |
| 资助机构 | National Natural Science Foundation of China ; Science Foundation of Beijing City ; Beijing Normal University |
| 源URL | [http://119.78.100.186/handle/113462/29798]  |
| 专题 | 中国科学院近代物理研究所 |
| 通讯作者 | Zhang, F. S. |
| 作者单位 | 1.Beijing Normal Univ, Coll Nucl Sci & Technol, Minist Educ, Key Lab Beam Technol & Mat Modificat, Beijing 100875, Peoples R China 2.Beijing Radiat Ctr, Beijing 100875, Peoples R China 3.Nanjing Univ Informat Sci & Technol, Coll Math & Phys, Nanjing 210044, Peoples R China 4.Ctr Theoret Nucl Phys, Natl Lab Heavy Ion Accelerator Lanzhou, Lanzhou 730000, Peoples R China |
| 推荐引用方式 GB/T 7714 | Gu, B.,Zhang, F. S.,Wang, Z. P.,et al. The solvation of NaCl in model water with different hydrogen bond strength[J]. JOURNAL OF CHEMICAL PHYSICS,2008,129:7. |
| APA | Gu, B.,Zhang, F. S.,Wang, Z. P.,&Zhou, H. Y..(2008).The solvation of NaCl in model water with different hydrogen bond strength.JOURNAL OF CHEMICAL PHYSICS,129,7. |
| MLA | Gu, B.,et al."The solvation of NaCl in model water with different hydrogen bond strength".JOURNAL OF CHEMICAL PHYSICS 129(2008):7. |
入库方式： OAI收割
来源：近代物理研究所
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