CSTR-BZ复杂化学反应的Monte-Carlo模拟

Stochastic Simulation of CSTR-BZ Reaction System

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 .

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.