Kinetic Monte Carlo simulation of 4-nitrophenol ozonation in the presence of ZnO nanocatalyst

Kinetics and mechanism of 4-nitrophenol (4NP) ozonation in the presence of ZnO nanocatalyst were investigated by kinetic Monte Carlo simulation. A mechanism for catalytic ozonation of 4NP with ZnO nanocatalyst was suggested and the rate constants of each step were obtained. It was shown that the sim...

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Veröffentlicht in:	Russian Journal of Physical Chemistry A 2015-06, Vol.89 (6), p.982-986
Hauptverfasser:	Rafiee, Marzieh, Bashiri, Hadis
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical Kinetics and Catalysis Chemistry Chemistry and Materials Science Physical Chemistry
Online-Zugang:	Volltext
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