高等学校化学学报

高等学校化学学报 ›› 1994, Vol. 15 ›› Issue (5): 729.

• 论文 • 上一篇    下一篇

化学动力学中隧道效应的研究(Ⅱ)──甲醛单分子反应渠道间的相互作用研究

陈玉1, 赵小亮1, 赵成大2   

  1. 1. 东北师范大学分析测试中心, 长春, 13002;
    2. 东北师范大学化学系
  • 收稿日期:1993-05-25 修回日期:1994-01-09 出版日期:1994-05-24 发布日期:1994-05-24
  • 通讯作者: 赵成大
  • 作者简介:陈玉,男,29岁,硕士,讲师.

Studies on Tunneling Effect in the Chemical Kinetics(Ⅱ)──Study on Interaction of Channels in Unimolecular Reaction or Formaldehyde

CHEN Yu1, ZHAO Xiao-Liang1, ZHAO Cheng-Da2   

  1. 1. Centre for Analysis and Testing, Northeast Normal University, Changchun, 130024;
    2. Department of Chemistry, Northeast Normal University
  • Received:1993-05-25 Revised:1994-01-09 Online:1994-05-24 Published:1994-05-24

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被引次数

5

摘要： 对甲醛单分子热反应模拟给出了分子渠道Eckart垒,计算了该渠道在不同温度下的隧道校正因子,研究了分子渠道与游离基渠道间的相互作用,计算了存在反应渠道间相互作用时各渠道的Kuni(i)、Ea(i),分子渠道考虑隧道效应,而游离基渠道无隧道效应,计算结果与实验结果一致。

关键词: Eckart垒, 甲醛, 隧道校正因子, 渠道间相互作用

Abstract: In this paper,we have obtained molecular Eckart barrier in thermal unimolecular reaction system,of formaldehyde,calculated the tunneling correction factor for this channel under several different temperatures,which proved the fact that tunneling effect under lower temperature is evident,and studied the interaction of molecular and radical channels,and calculated kuni(i),Ea(i) for each channel when tunneling effect was Considered for molecular channel but not existed in radical channel.The calculated results are in agreement with those from the experiments.

Key words: Eckart barrier, Formaldehyde, Tunneling correction factor, Interaction of channels

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