首页> 外文会议>American Chemical Society National Meeting >Theory of Unimolecular Reactions in Confined Volumes
【24h】

Theory of Unimolecular Reactions in Confined Volumes

机译:狭窄体积的单分子反应理论

获取原文

摘要

A theory for treatment of reaction kinetics in confined spaces is developed using Transition State Theory as a guide. The technique employs modifying the partition functions for the reactant and transition state based on the geometric restrictions posed by the confining medium. The result of the calculation is a term which corresponds to an effective excluded volume for the reactants and transition state. Models for calculation of the restriction factor are proposed within two limiting cases which correspond to a "spherical" molecule and a "linear" molecule, where it is assumed that the potential can be treated as separable. The two limiting cases are related to possible reaction mechanisms.
机译:利用过渡状态理论作为指导,开发了一种在受限空间中处理受限空间中的反应动力学理论。该技术采用基于由限制介质提出的几何限制来修改反应物和过渡状态的分区功能。计算结果是术语,其对应于反应物和转变状态的有效排除的体积。用于计算限制因子的模型在两个限制性情况下,对应于“球形”分子和“线性”分子,其中假设电位可以被视为可分离的。两个限制性病例与可能的反应机制有关。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号