Qiang Zhang, Bing-bing Zhang, Ling Jiang, Wei Zhuang. Ion Pairing Kinetics Does not Necessarily Follow the Eigen-Tamm Mechanism[J]. Chinese Journal of Chemical Physics , 2013, 26(6): 694-700. doi: 10.1063/1674-0068/26/06/694-700
Citation: Qiang Zhang, Bing-bing Zhang, Ling Jiang, Wei Zhuang. Ion Pairing Kinetics Does not Necessarily Follow the Eigen-Tamm Mechanism[J]. Chinese Journal of Chemical Physics , 2013, 26(6): 694-700. doi: 10.1063/1674-0068/26/06/694-700

Ion Pairing Kinetics Does not Necessarily Follow the Eigen-Tamm Mechanism

doi: 10.1063/1674-0068/26/06/694-700
Funds:  This work was supported by the National Natural Sci-ence QingNian Foundation of China (No.21003117), the National Natural Science Foundation (No.21033008), and the Science and Technological Ministry of China (No.2011YQ09000505). Qiang Zhang thanks the sup-port of Scientific Research Foundation for Returned Scholars, Ministry of Education of China
  • 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 mono-atomic 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. Thisis a deviation from the Eigen-Tamm model
  • 加载中
  • 加载中
通讯作者: 陈斌, bchen63@163.com
  • 1. 

    沈阳化工大学材料科学与工程学院 沈阳 110142

  1. 本站搜索
  2. 百度学术搜索
  3. 万方数据库搜索
  4. CNKI搜索

Article Metrics

Article views(1849) PDF downloads(1493) Cited by()

Proportional views
Related

Ion Pairing Kinetics Does not Necessarily Follow the Eigen-Tamm Mechanism

doi: 10.1063/1674-0068/26/06/694-700
Funds:  This work was supported by the National Natural Sci-ence QingNian Foundation of China (No.21003117), the National Natural Science Foundation (No.21033008), and the Science and Technological Ministry of China (No.2011YQ09000505). Qiang Zhang thanks the sup-port of Scientific Research Foundation for Returned Scholars, Ministry of Education of China

Abstract: 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 mono-atomic 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. Thisis a deviation from the Eigen-Tamm model

Qiang Zhang, Bing-bing Zhang, Ling Jiang, Wei Zhuang. Ion Pairing Kinetics Does not Necessarily Follow the Eigen-Tamm Mechanism[J]. Chinese Journal of Chemical Physics , 2013, 26(6): 694-700. doi: 10.1063/1674-0068/26/06/694-700
Citation: Qiang Zhang, Bing-bing Zhang, Ling Jiang, Wei Zhuang. Ion Pairing Kinetics Does not Necessarily Follow the Eigen-Tamm Mechanism[J]. Chinese Journal of Chemical Physics , 2013, 26(6): 694-700. doi: 10.1063/1674-0068/26/06/694-700

Catalog

    /

    DownLoad:  Full-Size Img  PowerPoint
    Return
    Return