MOLECULAR-DYNAMICS SIMULATIONS OF OSCILLATIONS IN A MODEL CHEMICAL-SYSTEM

The results of molecular dynamics (MD) simulations for a simple, but r ealistic model of a chemical system exhibiting oscillatory behavior ar e presented. The period of oscillations and the phase portrait of the system obtained in simulations are in agreement with phenomenology. Tw o types of fluctuations seem to appear in simulations: at short time s cale fluctuations depend on the size of the system, whereas at the lon g time scale they are related to the random motion of the MD trajector y in the phase space.