The non-ideal solvation of NaCl in solvent: a simulation study

doi:10.1080/00268970802112152

	The non-ideal solvation of NaCl in solvent: a simulation study
	Gu, B.1,2; Zhang, F. S.1,2,3; Wang, Z. P.1,2; Zhou, H. Y.1,2
刊名	MOLECULAR PHYSICS
	2008
卷号	106 页码:1047-1054
关键词	ionic liquid molecular dynamics simulations biomolecules
ISSN号	0026-8976
DOI	10.1080/00268970802112152
英文摘要	The non-ideality of the solvation of NaCl in a family of modified hybrid water solvent environments with varying local structural order is investigated using intensive molecular dynamics simulations. The results show that there are ion clusters of different size in all environments studied. The size distribution of the ion clusters is sensitive to the local structure of the solvent, which is determined by the hydrogen bonding strength. The ions are inclined to be in contact in solvents with high translational order, for competition between structure breaking among solvent molecules and structure formation around hydrated ions.
WOS关键词	AQUEOUS-ELECTROLYTE SOLUTIONS ; CLUSTER FORMATION ; WATER ; DYNAMICS ; FORCE ; ORDER ; IONS ; ASSOCIATION ; POTENTIALS ; MODELS
WOS研究方向	Physics
语种	英语
出版者	TAYLOR & FRANCIS LTD
WOS记录号	WOS:000257899800010
内容类型	期刊论文
源URL	[http://119.78.100.186/handle/113462/29513]
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, Inst Low Energy Nucl Phys, Minist Educ, Key Lab Beam Technol & Mat Modificat, Beijing 100875, Peoples R China 2.Beijing Radiat Ctr, Beijing 100875, Peoples R China 3.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 non-ideal solvation of NaCl in solvent: a simulation study[J]. MOLECULAR PHYSICS,2008,106:1047-1054.
APA	Gu, B.,Zhang, F. S.,Wang, Z. P.,&Zhou, H. Y..(2008).The non-ideal solvation of NaCl in solvent: a simulation study.MOLECULAR PHYSICS,106,1047-1054.
MLA	Gu, B.,et al."The non-ideal solvation of NaCl in solvent: a simulation study".MOLECULAR PHYSICS 106(2008):1047-1054.