PHOTOCATALYTIC CONVERSION OF METHANE INTO METHANOL OVER THE MoO3(010) SURFACE USING A SIMULATION METHOD
In this investigation, we have studied the kinetics and mechanism of photocatalytic conversion of methane into methanol reaction over the MoO 3(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 CH 4 and O 2 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≥Eg. The selectivity of CH 3 OH was increased with increasing partial pressure of CH 4, while the selectivity of CHOH was decreased. The effect of light intensity on the CH 3 OH selectivity was also studied under different P CH 4/P O 2 ratios, namely 0.9, 1.5 and 2.6. The highest CH 3 OH selectivity was obtained at 1.5 ratio.