Transient non-thermal mobility of monomer in a superficial monomer–trimercatalytic reaction: a Monte Carlo simulation study

Abstract

The phase diagram of the monomer–trimer model has already been studied on thebasis of (a thermal) Langmuir–Hinshelwood (LH) mechanism, the details ofwhich can be found in the literature. Here, we have studied the transientnon-thermal mobility of monomer based on Eley–Rideal (ER) and precursormechanisms. With the introduction of the ER process, the continuoustransition of the LH model has been eliminated and production rate has beenincreased. The production rate can be represented by simple mathematicalequations. Introduction of the precursor process reveals a phase diagramsimilar to the monomer–dimer precursor model. The reactive windowwidth increases with an increase in the precursor mobility. When theprecursor mobility is increased to the third-nearest neighbourhood a situationsimilar to the ER model is reproduced. The effect of monomer diffusion anddesorption has also been studied for ER and precursor models. Results havebeen compared and some interesting observations have been reported.