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Numerical study of long-range surface diffusion influence on catalytic reactivity of spatially inhomogeneous planar surfaces

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Abstract

A phenomenological (mean-field) mathematical model of unimolecular reactions proceeding onto inhomogeneous planar surfaces is presented and investigated numerically in two-dimensional in space case taking into account the adsorption and desorption of reactant particles, long-range surface diffusion of the adsorbed particles, and an instantaneous product desorption from an adsorbent. The model also involves the bulk diffusion of the reactant from the bounded vessel towards the adsorbent and the product bulk one from the adsorbent into the same vessel. Simulations were performed using the finite difference technique. The influence of the long-range surface diffusion of adsorbed particles on the kinetics for processes catalyzed by inhomogeneous surfaces with a different arrangement of reactive and non-reactive adsorption sites is studied.

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Authors and Affiliations

  1. Faculty of Mathematics and Informatics, Vilnius University, Naugarduko 24, 03225, Vilnius, Lithuania

    V. Skakauskas & P. Katauskis

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  1. V. Skakauskas
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  2. P. Katauskis
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Correspondence to V. Skakauskas.

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Skakauskas, V., Katauskis, P. Numerical study of long-range surface diffusion influence on catalytic reactivity of spatially inhomogeneous planar surfaces. J Math Chem 51, 492–502 (2013). https://doi.org/10.1007/s10910-012-0100-0

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  • DOI: https://doi.org/10.1007/s10910-012-0100-0

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