物理化学学报 >> 1994, Vol. 10 >> Issue (08): 733-736.doi: 10.3866/PKU.WHXB19940813

研究简报 上一篇    下一篇

N2O分解反应的蒙特卡罗模拟

郭向云, 钟炳   

  1. 中国科学院山西煤炭化学研究所，太原 030001
  • 收稿日期:1993-05-25 修回日期:1993-08-12 发布日期:1994-08-15
  • 通讯作者: 郭向云

Monte Carlo Simulation of N2O Decomposition

Guo Xiang-Yun, Zhong Bing   

  1. Institute of Coal Chemistry,Chinese Academy of Sciences,Taiyuan 030001
  • Received:1993-05-25 Revised:1993-08-12 Published:1994-08-15
  • Contact: Guo Xiang-Yun

PDF

2606

赞

关键词: 蒙特卡罗方法, N2O分解, 振荡反应

Abstract:

Using Monte Carlo (MC) method, we simulate two possible mechanisms of N2O decomposition reaction on a catalyst. One of them is in good agreement with the experiment. On the other hand, we also investigate the nature of the reaction rate oscillation in N2O decomposition. The results show that besides simulating mechanisms of surface reactions, MC method can also be an effective tool to investigate the kinetic behavior of complex reactions.

Key words: Monte carlo method, N2O decomposition, Oscillation reaction