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Langevin and Fokker-Planck Analyses of Inhibited Molecular Passing Processes Controlling Transport and Reactivity in Nanoporous Materials

TitleLangevin and Fokker-Planck Analyses of Inhibited Molecular Passing Processes Controlling Transport and Reactivity in Nanoporous Materials
Publication TypeJournal Article
Year of Publication2014
AuthorsWang, CJ, Ackerman, DM, Slowing, II, Evans, JW
JournalPhysical Review Letters
Volume113
Pagination038301
Date Published07
Type of ArticleArticle
ISBN Number0031-9007
Accession NumberWOS:000344180500009
Keywordsalpo4-5, conversion, single-file diffusion, systems, tracer exchange, zeolite
Abstract

= R-c, with sigma below the transition state theory value. Deeper insight comes from analysis of the corresponding high-dimensional Fokker-Planck equation, which facilitates an effective small-P approximation, and dimensional reduction enabling utilization of conformal mapping ideas. We analyze passing for spherical molecules and also assess the effect of rotational degrees of freedom for elongated molecules.

DOI10.1103/PhysRevLett.113.038301
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3D Catalysis

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Chemical Physics