Response of a catalytic reaction to periodic variation of the CO pressure: Increased CO_2 production and dynamic phase transition

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 presure. 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 CO_2 productive phase and a nonproductive one at a critical value of the period of the pressure oscillation. At the dynamic phase transition the period-averged CO_2 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 $\beta /\nu \approx 0.12$ and $\gamma /\nu \approx 1.77$. 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.

arXiv comment18 pages, 10 figures, accepted in Physical Review E

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• Dynamic phase transition in the two-dimensional kinetic Ising model in an oscillating field: Universality with respect to the stochastic dynamic
• Conjugate field and fluctuation-dissipation relation for the dynamic phase transition in the two-dimensional kinetic Ising model
• Decay of metastable phases in a model for the catalytic oxidation of CO
• Dynamic dipole and quadrupole phase transitions in the kinetic spin-1 model
• Model for the catalytic oxidation of CO, including gas-phase impurities and CO desorption
• Monte Carlo Simulations of the Critical Properties of a Ziff-Gulari-Barshad model of Catalytic CO Oxidation with Long-range Reactivity
• Dynamic Phase Transition in the Kinetic Spin-3/2 Blume-Capel Model: Phase Diagrams in the Temperature and Crystal-Field Interaction Plane
• Response of a Model of CO Oxidation with CO Desorption and Diffusion to a Periodic External CO Pressure
• Partial Oxidation of Methane on a Nickel Catalyst: Kinetic Monte-Carlo Simulation Study
• Computation of nucleation of a non-equilibrium first-order phase transition using a rare-event algorithm
• Enhancement of surface activity in CO oxidation on Pt(110) through spatiotemporal laser actuation
• Spatial competition and the dynamics of rarity in a temporally varying environment
• Random growth lattice filling model of percolation: a crossover from continuous to discontinuous transition