高等学校化学学报 ›› 1990, Vol. 11 ›› Issue (12): 1400.

• 研究论文 • 上一篇    下一篇

O-酰基-α-酮肟光分解反应的Monte Carlo处理

童伟达, 杨玉良, 孙猛, 于同隐   

  1. 复旦大学材料科学系, 200433
  • 收稿日期:1989-04-18 出版日期:1990-12-24 发布日期:1990-12-24
  • 通讯作者: 于同隐

Studies on the Reaction of Photolysis of O-Acyl-a-Oximinoketones by the Method of Monte Carlo Simulation

Tong Wei-da, Yang Yu-liang, Sun Meng, Yu Tong-yin   

  1. Department of Material Science, Fudan University, Shanghai, 200433
  • Received:1989-04-18 Online:1990-12-24 Published:1990-12-24

摘要: 本文首次对光化学反应体系用MonteCarlo方法进行模拟处理。通过5个O-酰基-α-酮肟光分解反应的MonteCarlo模拟,可避免解析解中由于对吸收光强须采用一级近似求解动力学微分方程组,而造成拟合反应在后期产生与实验结果的偏差。

关键词: o-酰基-α-酮肟, Monte Carlo 模拟, 光分解反应

Abstract: Photoreactions were studied by means of Monte Carlo simulation for the first time. The experimental results of photolysis of five O-acyl-a-oximinoketones were compared with the results of Monte Carlo simulation and kinetic method. The conclusion shows that if the first order approximation of absorbed light, which makes the simultaneous differential equations solvable, is used in the kinetic method, the theoretical reaults deviate from the experimental results in the later period of the reaction. However, the Monte Carlo simulation could get rid of this approximation and agreed with the experiments very well.

Key words: O-acyl-a-oximinoketone, Monte Carlo simulation, Photolysis reactions

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