Transition state theory
Transition state theory
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过渡态理论
DOI：
10.1351/goldbook.t06470
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发表时间：
1981
影响因子：
--
通讯作者：
A. Lasaga
中科院分区：
文献类型：
--
作者：
A. Lasaga
活性络合物的引入使得跨越势垒的模型变得简单。利用这个模型，只要活化络合物的结构已知，就可以计算出任何基元反应的速率常数。过渡态理论的一般结果导致了对一些重要的地球化学预测的理解。例如，离子强度对速率或补偿律的影响可以用过渡态理论来分析。该理论还可以应用于凝聚介质中的传输以及多相反应。虽然计算地球化学反应速率所需的势能面只能粗略地估计，但过渡态理论提供了一个重要的框架，它允许用分子方法来研究动力学。正是这一理论的统一特性使其值得用于地球化学动力学。(JMT)
The introduction of the activated complex permits a simple model of the crossing of potential barriers. With this model, the rate constant of any elementary reaction can be calculated, if the structure of the activated complex is known. The general results of transition state theory lead to an understanding of some important predictions of geochemical interest. For example, the effect of ionic strength on rates or the compensation law can be analyzed using transition state theory. The theory can also be applied to transport in condensed media as well as to heterogeneous reactions. Although the potential energy surfaces needed to calculate the rates of geochemical reactions can only be estimated in a rough way, transition state theory provides an important framework, which allows a molecular approach to kinetics. It is this unifying characteristic of the theory that makes it worthwhile for use in geochemical kinetics. (JMT)