Kinetic Monte Carlo Simulation of Statistical Mechanical Models and Coarse-Grained Mesoscale Descriptions of Catalytic Reaction–Diffusion Processes: 1D Nanoporous and 2D Surface Systems

Liu et al explore kinetic Monte Carlo simulation of statistical mechanical models and coarse-grained mesoscale descriptions of catalytic reaction-diffusion processes. They focus on topics such as catalytic reaction-diffusion systems and spatially discrete Stochastic models, basic irreversible first-...

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Bibliographic Details
Published inChemical reviews Vol. 115; no. 12; pp. 5979 - 6050
Main Authors Liu, Da-Jiang, Garcia, Andres, Wang, Jing, Ackerman, David M, Wang, Chi-Jen, Evans, James W
Format Journal Article
LanguageEnglish
Published United States American Chemical Society 24.06.2015
Subjects
Catalysis
Catalysts
Chemical reactions
Computer simulation
Conversion
Descriptions
Diffusion
Mesoscale phenomena
Monte Carlo methods
Monte Carlo simulation
Porosity
Stochastic models
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Summary:Liu et al explore kinetic Monte Carlo simulation of statistical mechanical models and coarse-grained mesoscale descriptions of catalytic reaction-diffusion processes. They focus on topics such as catalytic reaction-diffusion systems and spatially discrete Stochastic models, basic irreversible first-order conversion reactions in 1D linear nanopores, and general conversion reactions in 1D linear nanopores.
Bibliography:ObjectType-Article-1
SourceType-Scholarly Journals-1
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content type line 23
ISSN:0009-2665
1520-6890
DOI:10.1021/cr500453t