کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
229377 | 465024 | 2016 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Kinetic Monte Carlo simulation of 2,4,6-thrichloro phenol ozonation in the presence of ZnO nanocatalyst
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی شیمی
مهندسی شیمی (عمومی)
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
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.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Saudi Chemical Society - Volume 20, Issue 4, July 2016, Pages 474–479
Journal: Journal of Saudi Chemical Society - Volume 20, Issue 4, July 2016, Pages 474–479
نویسندگان
Hadis Bashiri, Marzieh Rafiee,