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 M0O3(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 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/cm(2) incident light intensity with energy hv greater than or equal to Eg. 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 CH3 OH selectivity was obtained at 1.5 ratio.