首页 | 本学科首页   官方微博 | 高级检索  
     检索      


Monte Carlo simulations of catalytic CO oxidation on fractal surfaces of dimension between two and three
Authors:Hwangseo Park  Hojing Kim  Sangyoub Lee  
Institution:

Department of Chemistry and Center for Molecular Catalysis, Seoul National University, Seoul 151-742, South Korea

Abstract:We present a method for generating fractal surfaces of dimension between two and three. By using the method, five fractal surfaces with dimension 2.262, 2.402, 2.524, 2.631, and 2.771 are created. For each of these surfaces, the reaction of carbon monoxide and oxygen is simulated by using a Monte Carlo method based on the ZGB model Phys. Rev. Lett. 24 (1986) 2553]. The results show that the catalytic CO oxidation proceeds more efficiently on a surface with higher fractal dimension. It is also found that as the fractal dimension of the surface becomes higher, the first-order kinetic phase transition point (y2) is shifted to a higher partial pressure of CO. This implies that poisoning of the catalyst surface due to CO segregation sets in at a higher CO partial pressure for surfaces with more complexity.
Keywords:Catalysis  Computer simulations  Fractile surfaces  Models of surface chemical reactions
本文献已被 ScienceDirect 等数据库收录!
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号