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Monte Carlo simulation to study surface diffusion and reaction processes on a fractal catalyst
Affiliation:1. Health Physics Division, Institute of Nuclear Energy Research, Taoyuan County, Taiwan;2. Nuclear Science and Technology Development Center, National Tsing Hua University, Hsinchu City, Taiwan;3. Institute of Nuclear Engineering and Science, National Tsing Hua University, Hsinchu City, Taiwan;4. Atomic Energy Council, New Taipei City, Taiwan;5. Dept. of Biomedical Engineering and Environmental Sciences, National Tsing Hua University, Hsinchu, Taiwan;6. Institute for Energy, Joint Research Centre, European Commission, Petten, The Netherlands;7. Dept. of Engineering and System Science, National Tsing Hua University, Hsinchu, Taiwan;1. 44 Innovation Blvd, Canadian Light Source, Saskatoon, SK S7N 2V3, Canada;2. Brookhaven National Laboratory, Photon Sciences Division, Upton, NY 11973, USA
Abstract:The surface of a catalyst is a fractal, and its fractal dimension can strongly influence the performance of a catalytic reaction. By means of the Monte Carlo method, the decompositions of N2O on a square lattice and a fractal surface are investigated in this paper. From the simulation it is found that the fractal surface can change both the reaction rate constant K and the reaction order α in the N2O decomposition, and all of these changes are caused by the abnormal diffusion of the surface species on the fractal surface.
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