Response of a catalytic reaction to periodic variation of the CO pressure: Increased CO2 production and dynamic phase transition

Erik Machado, Gloria M. Buendía, Per Arne Rikvold, and Robert M. Ziff
Phys. Rev. E 71, 016120 – Published 14 January 2005

Abstract

We present a kinetic Monte Carlo study of the dynamical response of a Ziff-Gulari-Barshad model for CO oxidation with CO desorption to periodic variation of the CO pressure. We use a square-wave periodic pressure variation with parameters that can be tuned to enhance the catalytic activity. We produce evidence that, below a critical value of the desorption rate, the driven system undergoes a dynamic phase transition between a CO2 productive phase and a nonproductive one at a critical value of the period and waveform of the pressure oscillation. At the dynamic phase transition the period-averaged CO2 production rate is significantly increased and can be used as a dynamic order parameter. We perform a finite-size scaling analysis that indicates the existence of power-law singularities for the order parameter and its fluctuations, yielding estimated critical exponent ratios βν0.12 and γν1.77. These exponent ratios, together with theoretical symmetry arguments and numerical data for the fourth-order cumulant associated with the transition, give reasonable support for the hypothesis that the observed nonequilibrium dynamic phase transition is in the same universality class as the two-dimensional equilibrium Ising model.

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  • Received 23 July 2004

DOI:https://doi.org/10.1103/PhysRevE.71.016120

©2005 American Physical Society

Authors & Affiliations

Erik Machado and Gloria M. Buendía

  • Physics Department, Universidad Simón Bolívar, Apartado 89000, Caracas 1080, Venezuela

Per Arne Rikvold

  • Center for Materials Research and Technology, School of Computational Science, and Department of Physics, Florida State University, Tallahassee, Florida 32306-4052, USA

Robert M. Ziff

  • Department of Chemical Engineering and Michigan Center for Theoretical Physics, University of Michigan, Ann Arbor, Michigan 48109-2136, USA

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Vol. 71, Iss. 1 — January 2005

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