Estudo de reações químicas homogêneas via método de Monte Carlo

Química Nova

Ravir Rodrigues Farias¹  Luiz Augusto Martins Cardoso¹  Nemesio Matos Oliveira-neto¹  Baraquizio Braga Nascimento Junior¹ 

[1] ,Universidade Estadual do Sudoeste da Bahia Departamento de Química e Exatas Jequié Bahia ,Brasil

关键词: Monte Carlo simulation;    chemical reactions;    chemical equilibrium;   

DOI  :  10.1590/S0100-40422013000500020

来源: SciELO

【 摘 要 】

By using the Monte Carlo simulation platform with probabilistic mathematical functions of the Boltzmann type, , having 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.

【 授权许可】

CC BY-NC   
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