Acessibilidade / Reportar erro

Study of homogeneous chemical reactions using Monte Carlo simulation

By using the Monte Carlo simulation platform with probabilistic mathematical functions of the Boltzmann type, <img src="/img/revistas/qn/v36n5/a20res.jpg" align="absmiddle"/>, 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 <img src="/img/revistas/qn/v36n5/20s01.jpg" align="absmiddle"/> 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.

Monte Carlo simulation; chemical reactions; chemical equilibrium


Sociedade Brasileira de Química Secretaria Executiva, Av. Prof. Lineu Prestes, 748 - bloco 3 - Superior, 05508-000 São Paulo SP - Brazil, C.P. 26.037 - 05599-970, Tel.: +55 11 3032.2299, Fax: +55 11 3814.3602 - São Paulo - SP - Brazil
E-mail: quimicanova@sbq.org.br