Acessibilidade / Reportar erro

Numerical simulation of the kinetics of the selective catalytic reduction of NO by NH3

In this work we study a model of a catalytic reaction among three monomers in order to understand the kinetics of the selective catalytic reduction of NO by ammonia (4NO + 4NH3 + O2 -> 4N2 + 6H2O). Our model takes into account the formation of the intermediate species in the global scheme of the reaction. Using the Monte Carlo method we simulated the model on a square lattice and determined its phase diagram.


Sociedade Brasileira de Física Caixa Postal 66328, 05315-970 São Paulo SP - Brazil, Tel.: +55 11 3091-6922, Fax: (55 11) 3816-2063 - São Paulo - SP - Brazil
E-mail: sbfisica@sbfisica.org.br