2A + B2 →2AB catalytic reaction over rough surface: the effect of Eley-Rideal mechanism

Monte Carlo simulations have been used to explore the effect of surface roughness and the Eley-Rideal (ER) mechanism on the simple Langmuir–Hinshelwood (LH) model for the 2A + B2 →2AB monomer–dimer reaction. The rough surface is generated by a random deposition with surface diffusion model. It is found that the steady-state reactive window for the rough surface is narrower than that for the smooth surface. It has been seen that introduction of the ER process in the LH model changes the production rate significantly.