A Good Alternative to Numerical Methods of Integration for the Simulation of Chemical Kinetics:The Monte Carlo Method

摘要

This paper illustrates the ways in which Monte-Carlo method provides a powerful tool for a simulation of complex reactions.New software using this method is described and tested on complex systems.The most important improvement in this software is the suppression of limitations on number of species and number of steps of the reaction mechanism.Although we frequently find it in the simulation and modelling of the homogeneous,and more particularly heterogeneous,reacting systems,the Monte Carlo method is used for the treatment of particular cases and is not used as a general method as is the case for the numerical methods of integration which