Modeling the kinetics of heterogeneous catalysis

Journal Article · Mon May 01 04:00:00 EDT 1995 · Chemical Reviews

DOI:https://doi.org/10.1021/cr00035a010· OSTI ID:69978

Kang, H C ^[1]; Weinberg, W H ^[2]

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1. National Univ. of Singapore (Singapore). Dept. of Chemistry
2. Univ. of California, Santa Barbara, CA (United States). Dept. of Chemical Engineering

A variety of microscopic processes occurring at the gas-solid interface (for example, adsorption, desorption, diffusion, reaction, surface reconstruction, and adsorbed layer ordering) play essential roles in heterogeneous catalysis. Much of the work devoted to studying these phenomena involves determining their kinetics. In this paper the authors provide a review of how the kinetics of these processes can be modeled. The methods which have been used to treat the kinetics of surface rate processes can be broadly divided into two categories, analytical and numerical. In the analytical approach, rate equations describing the time dependence of the fractional surface coverages, for instance, are written down. Generally, various approximations need to be made before these equations can be solved. In the numerical approach, which depends largely upon Monte Carlo techniques, the properties of various lattice gas models are studied using computer simulations. The authors focus on the numerical approach in this paper. 65 refs.

• Sponsoring Organization: USDOE
• DOE Contract Number: FG03-89ER14048
• OSTI ID: 69978
• Journal Information: Chemical Reviews, Journal Name: Chemical Reviews Journal Issue: 3 Vol. 95; ISSN CHREAY; ISSN 0009-2665
• Country of Publication: United States
• Language: English

Related Subjects

40 CHEMISTRY
COMPUTERIZED SIMULATION
DESORPTION
HETEROGENEOUS CATALYSIS
KINETIC EQUATIONS
MATHEMATICAL MODELS
MONTE CARLO METHOD
REVIEWS
TEMPERATURE CONTROL
TIME DEPENDENCE