THE MONTE-CARLO SIMULATION METHOD - A POWERFUL TOOL FOR THE STUDY OF REACTION PROCESSES

The study of reaction processes using computer simulation techniques h as very recently experienced a rapid growth, Within this context the M onte Carlo method emerges as a powerful approach for the understanding of a great variety of systems, In fact, knowing a relatively small nu mber of relevant microscopic mechanisms, it is possible to implement s imulation algorithms and to obtain results which allow insight into th e macroscopic behavior of the studied reactions. Such behavior frequen tly includes bistability, chaos, chemical waves, reversible and irreve rsible phase transitions, reactant segregation, poisoning, etc. Due to the huge amount of work already done on these subjects, even consider ing Monte Carlo simulations alone, the present review is restricted to recent progress in three specific fields involving far from equilibri um heterogeneous reactions: (a) the study of irreversible phase transi tions in reaction systems, (b) reactions at interfaces, and (c) a brie f look at diffusion-controlled reaction processes.