Study of homogeneous chemical reactions using monte carlo simulation

摘要

By using the Monte Carlo simulation platform with probabilistic mathematical functions of the Boltzmann type, Px=ehaving activation energy and temperature as parameters, it was possible to assess important dynamic aspects of homogeneous chemical reactions of the types A → B and A B. The protocol proved a useful tool in work with the basic concepts of Kinetics and Thermodynamics allowing its application both in class activities and for assisting experimental procedures.