Campus Units
Physics and Astronomy, Mathematics, Ames Laboratory
Document Type
Article
Publication Version
Published Version
Publication Date
4-24-2015
Journal or Book Title
Chemical Reviews
Volume
115
Issue
12
First Page
5979
Last Page
6050
DOI
10.1021/cr500453t
Abstract
Traditional mean-field rate equations of chemical kinetics for spatially uniform systems1−3 and the corresponding reaction−diffusion equations describing spatial heterogeneity4−6 have proved immensely useful in elucidating catalytic processes. However, it is well-recognized that standard mean-field rate expressions neglect spatial correlations in the reactant and/or product distribution. It is less well appreciated that the standard treatment of diffusion is generally applicable only at low concentrations and in unrestricted environments.
Copyright Owner
American Chemical Society
Copyright Date
2015
Language
en
File Format
application/pdf
Recommended Citation
Liu, Da-Jiang; Garcia, Andrés; Wang, Jing; Ackerman, David M.; Wang, Chi-Jen; and Evans, James W., "Kinetic Monte Carlo Simulation of Statistical Mechanical Models and Coarse-Grained Mesoscale Descriptions of Catalytic Reaction–Diffusion Processes: 1D Nanoporous and 2D Surface Systems" (2015). Physics and Astronomy Publications. 176.
https://lib.dr.iastate.edu/physastro_pubs/176
Included in
Astrophysics and Astronomy Commons, Biological and Chemical Physics Commons, Mathematics Commons
Comments
Reprinted (adapted) with permission from Chemical Reviews 115 (2015): 5979,doi:10.1021/cr500453t . Copyright 2015 American Chemical Society.