Kinetic Monte Carlo simulation of 2,4,6-thrichloro phenol ozonation in the presence of ZnO nanocatalyst

In the present study, kinetic Monte Carlo simulation has been used to study the mechanism of 2,4,6-thrichloro phenol (TCP) ozonation in the presence of ZnO nanocatalyst. Adsorption of ozone molecules on ZnO nanocatalyst and TCP degradation in O3–ZnO-catalytic system was simulated. Then, the mechanis...

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Bibliographic Details
Main Authors: Hadis Bashiri, Marzieh Rafiee
Format: Article
Language:English
Published: Elsevier 2016-07-01
Series:Journal of Saudi Chemical Society
Subjects:
Online Access:http://www.sciencedirect.com/science/article/pii/S1319610314001744