Monte Carlo simulation of the oscillatory behavior in partial oxidation of methane on nickel catalyst under nonisothermal conditions

Abstract

The Monte Carlo method has been used to simulate the kinetic oscillations during partial oxidation of methane under nonisothermal conditions. The oscillatory behavior can be found with the selected parameters by using oxide formation and removal model. From the simulation, the temperature variation during the reaction synchronizes well with the oscillations of product formation rates, and also with the rates of oxide formation and reduction processes. Compared with the isothermal simulation results, the oscillations under the nonisothermal conditions are observed to have a slightly shorter period, lower maximum carbon coverage and higher nickel oxide coverage.