Simulação do equilíbrio: o método de Monte Carlo


Autoria(s): López-Castillo,Alejandro; Souza Filho,José Cândido de
Data(s)

01/01/2007

Resumo

We make several simulations using the Monte Carlo method in order to obtain the chemical equilibrium for several first-order reactions and one second-order reaction. We study several direct, reverse and consecutive reactions. These simulations show the fluctuations and relaxation time and help to understand the solution of the corresponding differential equations of chemical kinetics. This work was done in an undergraduate physical chemistry course at UNIFIEO.

Formato

text/html

Identificador

http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422007000700045

Idioma(s)

pt

Publicador

Sociedade Brasileira de Química

Fonte

Química Nova v.30 n.7 2007

Palavras-Chave #chemical kinetics #Monte Carlo #chemical equilibrium
Tipo

journal article