Kinetic Monte Carlo Simulation of Statistical Mechanical Models and Coarse-Grained Mesoscale Descriptions of Catalytic Reactionâ•fiDiffusion Processes: 1D Nanoporous and 2D Surface Systems
نویسندگان
چکیده
منابع مشابه
Kinetic Monte Carlo Simulation of Statistical Mechanical Models and Coarse-Grained Mesoscale Descriptions of Catalytic Reaction-Diffusion Processes: 1D Nanoporous and 2D Surface Systems.
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 ...
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