高等学校化学学报 ›› 2000, Vol. 21 ›› Issue (11): 1727.

• 论文 • 上一篇    下一篇

CSTR-BZ复杂化学反应的Monte-Carlo模拟

魏庆莉, 王贵昌, 蔡遵生, 赵学庄   

  1. 南开大学化学系, 天津 300071
  • 收稿日期:1999-11-24 出版日期:2000-11-24 发布日期:2000-11-24
  • 通讯作者: 赵学庄(1933年出生),男,教授,博士生导师,从事理论化学研究.E-mail:Zhaoxuezhuang@263.net
  • 基金资助:

    国家自然科学基金(批准号:29573109);教育部留学归国人员启动基金

Stochastic Simulation of CSTR-BZ Reaction System

WEI Qing-Li, WANG Gui-Chang, CAI Zun-Sheng, ZHAO Xue-Zhuang   

  1. Chemistry Department of Nankai University, Tianjin 300071, China
  • Received:1999-11-24 Online:2000-11-24 Published:2000-11-24

摘要: 在Monte-Carlo算法中引入流率项,通过对具有流率分叉结构的CSTR-BZ反应体系SNB(Showalter-Noyes-Bar-Eli)模型的随机分析,讨论了最低反应浓度的意义及流率项连续性的影响.与实验结果及确定性数值积分结果比较表明,对于流动的实际反应体系,基于“质量作用定律”的宏观确定性方法仍具有适用性.

关键词: CSTR-BZ反应, SNB模型, Monte-Carlo模拟, 质量作用定律

Abstract: The CSTR-BZ reaction system described by SNB model, in which oscillatory dynamics is varied with flowrate k f, is studied by stochastic analysis. The implication of the minimum reaction concentration is discussed, and the continuous effect of flow rate is also investigated. Comparison with deterministic analysis approach and the results of experiment in CSTR-BZ reaction shows that deterministic description based on mass action law can still be applied effectively.

Key words: CSTR-BZ reaction, SNB model, Monte-Carlo simulation, Mass action law

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