The solvation of NaCl in model water with different hydrogen bond strength

doi:10.1063/1.3002485

	The solvation of NaCl in model water with different hydrogen bond strength
	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
	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.
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关键词	MOLECULAR-DYNAMICS SIMULATION ; ATMOSPHERIC CONDITIONS ; COMPUTER-SIMULATIONS ; ION-PAIRS ; CLUSTER ; ORDER ; POTENTIALS ; CL
WOS研究方向	Physics
语种	英语
出版者	AMER INST PHYSICS
WOS记录号	WOS:000260944300035
资助机构	National Natural Science Foundation of China ; Science Foundation of Beijing City ; Beijing Normal University
内容类型	期刊论文
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.