Effect of multifractalities of catalyst surface: a Monte Carlo study of catalytic CO oxidation

被引:7
作者
Park, H
Lee, S [1 ]
机构
[1] Seoul Natl Univ, Dept Chem, Seoul 151742, South Korea
[2] Seoul Natl Univ, Ctr Mol Catalysis, Seoul 151742, South Korea
关键词
computer simulations; models of surface kinetics; surface chemical reactions;
D O I
10.1016/S0039-6028(98)00070-3
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
For modeling disordered catalyst surfaces, we propose a method for generating multifractal surfaces with varying fractal dimensionality profiles. For three surfaces generated by the method, Monte Carlo simulations of catalytic CO oxidation are carried out to investigate the effect of morphology of the catalyst surface on its catalytic activity and kinetic phase transitions. The results show that multifractal surfaces with the more symmetric and less dispersive fractal dimensionality profile perform CO oxidation more efficiently. The first-order kinetic phase transition occurs at the higher partial pressure of CO for the surface with the less dispersive dimensionality profile. (C) 1998 Elsevier Science B.V. All rights reserved.
引用
收藏
页码:1 / 9
页数:9
相关论文
共 51 条
[1]  
ADAMSON AW, 1990, PHYSICAL CHEM SURFAC
[2]   MONTE-CARLO SIMULATION OF THE OXIDATION OF CARBON-MONOXIDE ON FRACTAL SURFACES [J].
ALBANO, EV .
SURFACE SCIENCE, 1990, 235 (2-3) :351-359
[3]  
[Anonymous], FRACTAL APPROACH HET
[4]   PHOTOCATALYTIC HYDROGENATION OF CH3CCH WITH H2O ON SMALL-PARTICLE TIO2 - SIZE QUANTIZATION EFFECTS AND REACTION INTERMEDIATES [J].
ANPO, M ;
SHIMA, T ;
KODAMA, S ;
KUBOKAWA, Y .
JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (16) :4305-4310
[5]  
AVNIR D, 1992, NEW J CHEM, V16, P439
[6]   MOLECULAR FRACTAL SURFACES [J].
AVNIR, D ;
FARIN, D ;
PFEIFER, P .
NATURE, 1984, 308 (5956) :261-263
[7]   CHEMISTRY IN NONINTEGER DIMENSIONS BETWEEN 2 AND 3 .2. FRACTAL SURFACES OF ADSORBENTS [J].
AVNIR, D ;
FARIN, D ;
PFEIFER, P .
JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (07) :3566-3571
[8]   MULTIFRACTAL ANALYSIS OF SOLVENT ACCESSIBILITIES IN PROTEINS [J].
BALAFAS, JS ;
DEWEY, TG .
PHYSICAL REVIEW E, 1995, 52 (01) :880-887
[9]  
Barabasi A-Ls, 1995, FRACTAL CONCEPTS SUR, DOI [10.1017/CBO9780511599798, DOI 10.1017/CBO9780511599798]
[10]  
BARNSLEY M, 1988, P S APPL MATH, V39