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.
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| Main Authors: | , |
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| Format: | Digital revista |
| Language: | English |
| Published: |
Sociedade Brasileira de Física
2004
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| Online Access: | http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332004000300019 |
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