Micro-kinetic analysis and Monte Carlo simulation in methane partial oxidation into synthesis gas

The mechanism outlined in literature for methane steam reforming over nicke l catalysts is reviewed. Activation energy of this set of elementary steps for methane conversion into synthesis gas is obtained on the basis of bond order conservation Morse potential (BOC-MP), and the pre-exponential factor s of the rate expressions of these elementary steps are then estimated acco rding to the reported ranges in literature. A real-time Monte Carlo approac h is developed to simulate the micro-kinetic trends for this catalytic proc ess. (C) 2000 Elsevier Science B.V. All rights reserved.