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PHOTOCATALYTIC CONVERSION OF METHANE INTO METHANOL OVER THE MoO₃(010) SURFACE USING A SIMULATION METHOD

A. Z. MOSHFEGH

Department of Physics, Sharif University of Technology, P.O. Box 11365-9161, Tehran, Iran

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and

M. DASHTI

Department of Physics, Sharif University of Technology, P.O. Box 11365-9161, Tehran, Iran

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https://doi.org/10.1142/S0218625X04005871Cited by:1 (Source: Crossref)

Abstract

In this investigation, we have studied the kinetics and mechanism of photocatalytic conversion of methane into methanol reaction over the MoO₃(010) surface using a computer simulation method. Methane and oxygen as the reactants are used at room temperature and atmospheric pressure under UV photoirradiation of the catalyst. According to our data analysis, the order of methanol formation reaction with respect to CH₄ and O₂ was determined to be l=0.30 and m=-1.03, respectively. The highest methanol formation rate (TOF) value was obtained at about 0.05 molecule/s.site in a range of 25–35 W/cm² incident light intensity with energy hν≥E_g. The selectivity of CH₃OH was increased with increasing partial pressure of CH₄, while the selectivity of CHOH was decreased. The effect of light intensity on the CH₃OH selectivity was also studied under different P_CH₄/P_O₂ ratios, namely 0.9, 1.5 and 2.6. The highest CH₃OH selectivity was obtained at 1.5 ratio.

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