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arxiv: 0908.0758 · v2 · submitted 2009-08-05 · ❄️ cond-mat.stat-mech · cond-mat.mtrl-sci· physics.chem-ph

Effect of CO desorption and coadsorption with O on the phase diagram of a Ziff-Gulari-Barshad model for the catalytic oxidation of CO

classification ❄️ cond-mat.stat-mech cond-mat.mtrl-sciphysics.chem-ph
keywords coadsorptioneffectstatedesorptionphasetransitioncatalyticmodel
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We study the effect of coadsorption of CO and O on a Ziff-Gulari-Barshad (ZGB) model with CO desorption (ZGB-d) for the reaction CO + O --> CO_2 on a catalytic surface. Coadsorption of CO on a surface site already occupied by an O is introduced by an Eley-Rideal-type mechanism that occurs with probability p, 0 <= p <= 1. We find that, besides the well known effect of eliminating the second-order phase transition between the reactive state and an O-poisoned state, the coadsorption step has a strong effect on the transition between the reactive state and the CO-poisoned state. The coexistence curve between these two states terminates at a critical value k_c of the desorption rate k which now depends on p. Our Monte Carlo simulations and finite-size scale analysis indicate that k_c decreases with increasing values of p. For p=1, there appears to be a sharp phase transition between the two states only for k at(or near) zero.

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