N2O分解反应中复杂动力学行为的模拟

在多相催化反应中，自ZO多年前第一次在实验中观察到反应的振荡现象以来，现已发现在许多催化反应中都存在振荡现象山．N。O分解是一个振荡反应问．我们在用MonteCarloMC）方法研究N20分解反应机理时，曾发现反应速率和表面覆盖度在一定条件下都会出现振荡现象＊．非统性理论的研究表明，体系内部只要存在非线性的相互作用就可能表现出一些复杂的动力学行为，如振荡和混饨等．N。O分解反应中的振荡行为，也是由于体系内部非线性相互作用的结果·本文用非线性动力学的方法研究N。O分解反应中表面氧覆盖度的振荡行为，发现振荡在一定条…

Simulation of Complex Dynamic Behavior during N_2O Catalytic Decomposition

The decomposition of N2O on a catalytic surface was simulated by the Monte Carlo method. The results show that both reaction rate and surface coverage oscillate with time. Fractal analysis of the time-series of surface coverages indicates that the oscillation observed has an attractor. The oscillation is chaotic in nature and the attractor is a fractal with a dimension about 3.5 when the rate constant k2 of the elementary step which produces O2 is large enough.