物理化学学报 >> 1990, Vol. 6 >> Issue (04): 410-417.doi: 10.3866/PKU.WHXB19900406

研究论文 上一篇    下一篇

封闭型简单反应系统中复杂动力学行为的模拟

李小平; 李如生   

  1. 清华大学化学系
  • 收稿日期:1989-01-13 修回日期:1989-08-14 发布日期:1990-08-15
  • 通讯作者: 李小平

Modelling of Complex Dynamic Behaviors in Closed System with Simple Reactions

Li Xiao-Ping; Li Ru-Sheng   

  1. Department of Chemistry, Tsinghua University
  • Received:1989-01-13 Revised:1989-08-14 Published:1990-08-15
  • Contact: Li Xiao-Ping

摘要: 研究了一个只涉及双分子反应步骤(A+B→C+D, B+C→2B)和单分反应步骤(B→p, E→A, G→B, A→D, C→P)的封闭反应系统的动力学行为, 尤其是各种状态之间的跃迁行为. 在用准定态分析方法得到的准定态分岔图的基础上, 进行了大量的数值模拟, 模拟结果和难定态分岔图预言的结果基本一致. 这些结果能定性解释近年来在封闭反应体系中发现的各种动力学现象, 如化学振荡, 多重稳定性以及定态激发现象等。

Abstract: The complex dynamic behaviors, especially the behavior of transition between different states, of a closed reaction system which involves only bimolecular reactionsteps (A+B→C+D, B+C→2C) and unimolecular ones (B→P, E→A, G→B, A→D,C→P), is studied. By using the quasi-steady state analysis, a quasi-steady state bifurcation diagram, which predicts the existence of bistability between two different steady states or between a steady state and an oscillatory one, is obtained and confirmed by numerioal simulation. The numerical simuiations show that various transition transitions are trigged by external perturbations, and some may occur spontaneously. The numerical simulations also show that the system may exhibit the phenomena of excitation. All these phenomena are similar to those observed exprimentally in realistic closed reaction systems.