Kinetic Monte Carlo simulation of 2, 4, 6-thrichloro phenol ozonation in the presence of ZnO nanocatalyst
Joint Authors
Source
Journal of Saudi Chemical Society
Issue
Vol. 20, Issue 4 (31 Jul. 2016), pp.474-479, 6 p.
Publisher
Publication Date
2016-07-31
Country of Publication
Saudi Arabia
No. of Pages
6
Main Subjects
Topics
Abstract EN
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 mechanism of catalytic ozonation of TCP in the presence of ZnO nanocatalyst was suggested and rate constants of each step were obtained.
The simulated kinetic data were in good agreement with experimental data.
By using the obtained mechanism and kinetic parameters, the effect of nanocatalyst, ozone and TCP initial concentrations on the rate of ozonation was studied.
American Psychological Association (APA)
Bashiri, Hadis& Rifii, Marzih. 2016. Kinetic Monte Carlo simulation of 2, 4, 6-thrichloro phenol ozonation in the presence of ZnO nanocatalyst. Journal of Saudi Chemical Society،Vol. 20, no. 4, pp.474-479.
https://search.emarefa.net/detail/BIM-693343
Modern Language Association (MLA)
Bashiri, Hadis& Rifii, Marzih. Kinetic Monte Carlo simulation of 2, 4, 6-thrichloro phenol ozonation in the presence of ZnO nanocatalyst. Journal of Saudi Chemical Society Vol. 20, no. 4 (Jul. 2016), pp.474-479.
https://search.emarefa.net/detail/BIM-693343
American Medical Association (AMA)
Bashiri, Hadis& Rifii, Marzih. Kinetic Monte Carlo simulation of 2, 4, 6-thrichloro phenol ozonation in the presence of ZnO nanocatalyst. Journal of Saudi Chemical Society. 2016. Vol. 20, no. 4, pp.474-479.
https://search.emarefa.net/detail/BIM-693343
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references : p. 479
Record ID
BIM-693343