BOC-MP study on the mechanism of partial oxidation of CH 3OH to HCHO over a silver surface and the promoting effect of halogen to the catalyst
The mechanism of partial oxidation of methanol to formaldehyde over a silver surface and the promoting halogen to the catalyst have been systematically analyzed by the BOC-MP model. The analysis showed that the oxidehydrogenation of methanol to formaldehyde is preferable to the direct dehydrogenation pathway. The promoting effect of halogen to the catalyst has also been interpreted. The modifying atom could not only control the concentration of surface atomic oxygen (not too high), but also promotes the replenishing of surface atomic oxygen and maintains its concentration, to some extent, during the processing of the reaction. Thus, it could increase both the catalytic activity and the selectivity to the formation of formaldehyde.