NO-CO-O2 Heterogeneous Catalytic Surface Reaction: A Monte-Carlo Study

摘要

The effect of NO on the heterogeneous catalytic surface reaction CO-O2 and the effect of O2 on the CO-NO reaction is studied by the Monte Carlo simulation technique. The overall kinetic behavior of the three component reaction is seen to be dominated by the characteristics of the CO-NO reaction rather than by the CO-O2 reaction. The experimentally observed blocking effect of NO on the CO-O2 reaction is not observed in their simulation. For the blocking effect to be realized the undissociated NO on the surface plays a crucial role. The authors simplified model assumes complete dissociation of NO, consequently the blocking effect is not observed. The process has great practical importance because of its common use in chemical industry and in controlling toxic emissions into the environment.