Estudo de reações químicas homogêneas via método de Monte Carlo


Autoria(s): Farias,Ravir Rodrigues; Cardoso,Luiz Augusto Martins; Oliveira-Neto,Nemesio Matos; Nascimento Junior,Baraquizio Braga
Data(s)

01/01/2013

Resumo

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.

Formato

text/html

Identificador

http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422013000500020

Idioma(s)

pt

Publicador

Sociedade Brasileira de Química

Fonte

Química Nova v.36 n.5 2013

Palavras-Chave #Monte Carlo simulation #chemical reactions #chemical equilibrium
Tipo

journal article