DICP OpenIR
Ion Pairing Kinetics Does not Necessarily Follow the Eigen-Tamm Mechanism
Zhang, Qiang1,2; Zhang, Bing-bing2,3; Jiang, Ling2; Zhuang, Wei2
关键词Ion Pairing Eigen-tamm Model Potential Of Mean Force
刊名CHINESE JOURNAL OF CHEMICAL PHYSICS
2013-12-01
DOI10.1063/1674-0068/26/06/694-700
26期:6页:694-700
收录类别SCI
文章类型Article
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Physics, Atomic, Molecular & Chemical
研究领域[WOS]Physics
关键词[WOS]MOLECULAR-DYNAMICS SIMULATION ; BIOLOGICAL STRUCTURE ; AQUEOUS-SOLUTIONS ; WATER ; HYDRATION ; POTENTIALS ; PROTEINS ; ENERGY ; MODEL
英文摘要The most recognized and employed model of the solvation equilibration in the ionic solutions was proposed by Eigen and Tamm, in which there are four major states for an ion pair in the solution: the completely solvated state, 2SIP (double solvent separate ion pair), SIP (single solvent separate ion pair), and CIP (contact ion pair). Eigen and Tamm suggested that the transition from SIP to CIP is always the slowest step during the whole pairing process, due to a high free energy barrier between these two states. We carried out a series of potential of mean force calculations to study the pairing free energy profiles of two sets of model monoatomic 1:1 ion pairs 2.0:x and x:2.0. For 2.0:x pairs the free energy barrier between the SIP and CIP states is largely reduced due to the salvation shell water structure. For these pairs the SIP to CIP transition is thus not the slowest step in the ion pair formation course. This is a deviation from the Eigen-Tamm model.
语种英语
WOS记录号WOS:000330591600012
引用统计
被引频次:1[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://cas-ir.dicp.ac.cn/handle/321008/137961
专题中国科学院大连化学物理研究所
作者单位1.Bohai Univ, Dept Chem, Jinzhou 121000, Peoples R China
2.Chinese Acad Sci, State Key Lab Mol React Dynam, Dalian Inst Chem Phys, Dalian 116023, Peoples R China
3.Zhengzhou Univ, Coll Chem & Mol Engn, Zhengzhou 450001, Peoples R China
推荐引用方式
GB/T 7714
Zhang, Qiang,Zhang, Bing-bing,Jiang, Ling,et al. Ion Pairing Kinetics Does not Necessarily Follow the Eigen-Tamm Mechanism[J]. CHINESE JOURNAL OF CHEMICAL PHYSICS,2013,26(6):694-700.
APA Zhang, Qiang,Zhang, Bing-bing,Jiang, Ling,&Zhuang, Wei.(2013).Ion Pairing Kinetics Does not Necessarily Follow the Eigen-Tamm Mechanism.CHINESE JOURNAL OF CHEMICAL PHYSICS,26(6),694-700.
MLA Zhang, Qiang,et al."Ion Pairing Kinetics Does not Necessarily Follow the Eigen-Tamm Mechanism".CHINESE JOURNAL OF CHEMICAL PHYSICS 26.6(2013):694-700.
条目包含的文件
条目无相关文件。
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Zhang, Qiang]的文章
[Zhang, Bing-bing]的文章
[Jiang, Ling]的文章
百度学术
百度学术中相似的文章
[Zhang, Qiang]的文章
[Zhang, Bing-bing]的文章
[Jiang, Ling]的文章
必应学术
必应学术中相似的文章
[Zhang, Qiang]的文章
[Zhang, Bing-bing]的文章
[Jiang, Ling]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。