NDLI: Kinetic study of photodegradation of methylene blue over P25-graphene and P25-CNT nanocomposites using Monte Carlo simulation

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Kinetic study of photodegradation of methylene blue over P25-graphene and P25-CNT nanocomposites using Monte Carlo simulation

Content Provider	Springer Nature Link
Author	Jalali, Hamed Moradmand
Copyright Year	2017
Abstract	Kinetic Monte Carlo simulation was applied to investigation of kinetics and photodecomposition mechanism of methylene blue over P25, P25-graphene, and P25-CNT nanocomposite catalyst under UV and visible irradiations. The reaction kinetic mechanisms of each abovementioned catalytic systems has been attained. The rate constants values for the each step of the reaction mechanisms (including recombination and charge transfer) were obtained as adjustable parameters by kinetic Monte Carlo simulation. The high value of the rate constant for electron transfer to graphene and CNT exhibits this transmission is occurred fast. The photoinduced electrons and holes can recombine with rate constant value about 0.001 min$^{–1}$, but the rate constant of electron transfer is much higher than recombination. It was shown the rate constant of electron transfer to graphene is equal to CNT. There is a small difference between photocatalytic activity of P25-Gr and P25-CNT. The kinetic Monte Carlo simulation results of this research have satisfactorily agreement with the available experimental data for the methylene blue photodegradation.
Starting Page	1337
Ending Page	1344
Page Count	8
File Format	PDF
ISSN	00360244
Journal	Russian Journal of Physical Chemistry
Volume Number	91
Issue Number	7
e-ISSN	1531863X
Language	English
Publisher	Pleiades Publishing
Publisher Date	2017-06-15
Publisher Place	Moscow
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Monte Carlo kinetic simulation photodegradation graphene methylene blue nanocomposite catalyst Physical Chemistry
Content Type	Text
Resource Type	Article
Subject	Physical and Theoretical Chemistry

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