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arXiv 2006-03-20 DOI 10.1016/j.theochem.2006.01.039 0 views

Response of a Model of CO Oxidation with CO Desorption and Diffusion to a Periodic External CO Pressure

Buendia, G. M. · Machado, E. · Rikvold, P. A.

Original · EN

We present a study of the dynamical behavior of a Ziff-Gulari-Barshad model with CO desorption and lateral diffusion. Depending on the values of the desorption and diffusion parameters, the system presents a discontinuous phase transition between low and high CO coverage phases. We calculate several points on the coexistence curve between these phases. Inclusion of the diffusion term produces a significant increase in the CO₂ production rate. We further applied a square-wave periodic pressure variation of the partial CO pressure with parameters that can be tuned to modify the catalytic activity. Contrary to the diffusion-free case, this driven system does not present a further enhancement of the catalytic activity, beyond the increase induced by the diffusion under constant CO pressure.

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