Lattice model studies of CO oxidation kinetic oscillation over nano-scaled Pt particle: Effect of temperature variation and diffusion

Monte-Carlo technique was applied to simulate the nonisothermal oxide formation/removal model for kinetic oscillation of carbon monoxide oxidation over nano-scaled catalysts. The nonisothermal oxide model interprets kinetic oscillation more properly with shorter oscillatory period and lower maximum CO coverage. Two channels transferring the system back and forth between low and high rate states are necessary to achieve kinetic oscillation. Oxide formation switches the state from high to low rate and found no changes in nonisothermal condition. Oxide removal reverses the process and it is accelerated in nonisothermal simulations cutting low rate period. The role of CO diffusion was found important for the kinetic oscillation. Without CO diffusion, oxide formation rate is increased keeping oxide coverage constant. Thus, the nondiffusive system is always in low reactive state.