AN APPROACH TO THE KINETICS AND THERMODYNAMICS OF ELEMENTARY CHEMICAL REACTIONS USING A STOCHASTIC MODEL

AN APPROACH TO THE KINETICS AND THERMODYNAMICS OF ELEMENTARY CHEMICAL REACTIONS USING A STOCHASTIC MODEL

A mathematical model is proposed to investigate the kinetics and equilibrium of homogeneous elementary first- and second-order chemical reactions. The dynamics is defined by the Monte Carlo method (MCM), with the Metropolis update, and the Ehrenfest urn model (EUM). MCM is an important step that acc...

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Bibliographic Details
Main Authors: Francis Pereira Nascimento, Baraquízio Braga do Nascimento Junior, Luiz Augusto Martins Cardoso, Rodrigo Veiga Tenório de Albuquerque, Nemesio Matos Oliveira-Neto
Format: Article
Language:English
Published: Sociedade Brasileira de Química
Series:Química Nova
Subjects:
chemical reaction
kinetics
thermodynamics
Monte Carlo method
Ehrenfest urn model
Online Access:http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422018000901083&lng=en&tlng=en

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http://www.scielo.br/scielo.php?script=sci_arttext&pid=S0100-40422018000901083&lng=en&tlng=en

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