Journal of Chemical Physics, Vol.105, No.4, 1402-1408, 1996
Particle Simulation of Chemical Chaos
A microscopic computer experiment is set up to investigate the statistical properties of a homogeneous chemical system undergoing chaos at the macroscopic level. A specific model, the Willamowski-Rossler having a well-defined microscopic counterpart is used, Quantitative comparison with both the prediction of the deterministic description based on the rate equations and the results of the stochastic analysis is carried out. Dynamical and static properties obtained from these three procedures are in very good agreement and confirm the robustness of the underlying deterministic attractor even when microscopic aspects are taken into account.
Keywords:MICROSCOPIC SIMULATION;MOLECULAR-DYNAMICS;DILUTE GAS;FLUCTUATIONS;SYSTEMS;OSCILLATIONS;INSTABILITY;DIFFUSION;AUTOMATON;EQUATIONS