Modeling of carbon monoxide oxidation on the catalytic surface in the two-dimensional case

Fìz.-mat. model. ìnf. tehnol. 2017, 26:83-89

Abstract

A two-dimensional model of carbon monoxide (CO) catalytic oxidation on a platinum (Pt) surface for the Langmuir-Hinshelwood mechanism is investigated. The adsorbate-driven (1×1)-(1×2) structural phase transition of Pt(110) and the formation of new crystal planes on the catalytic surface (faceting) as well as the effect of the substrate temperature are taken into account. It is shown that the stability region for CO oxidation reaction changes when two dimensions are taken into account. Similarly to the one-dimensional case, the reaction of CO oxidation on Pt-catalyst surface is periodic in the stability region. Mixed-mode oscillations (MMO) for CO and oxygen (O) surface coverages as well as the fraction of the surface in the non-reconstructed (1×1)-state were found. Such behavior cannot be predicted by one-dimensional models when the equation for the change of degree of faceting is not taken into account.

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