Response of a catalytic reaction to periodic variation of the CO pressure: Increased<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi mathvariant="normal">C</mml:mi><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>production and dynamic phase transition

Machado, E.; Buendı́a, G. M.; Rikvold, Per Arne; Ziff, Robert M.

doi:10.1103/physreve.71.016120

Cited by 41 publications

(44 citation statements)

References 38 publications

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“…(Experimental evidence indicates that the desorption rate of oxygen is negligible [29].) Hysteresis is then observed as y varies close to y 2 , which now becomes a function of the desorption rate [40][41][42]. In the present paper we study the effects of this CO desorption process on our previous model for CO oxidation with inert impurities in the gas phase and next-nearest-neighbor adsorption of oxygen atoms [12].…”

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confidence: 80%

Model for the catalytic oxidation of CO, including gas-phase impurities and CO desorption

Rikvold

2013

Phys. Rev. E

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We present results of kinetic Monte Carlo simulations of a modified Ziff-Gulari-Barshad model for the reaction CO+O → CO2 on a catalytic surface. Our model includes impurities in the gas phase, CO desorption, and a modification known to eliminate the unphysical O poisoned phase. The impurities can adsorb and desorb on the surface, but otherwise remain inert. In a previous work that did not include CO desorption [G. M. Buendía and P. A. Rikvold, Phys. Rev. E, 85 031143 (2012)], we found that the impurities have very distinctive effects on the phase diagram and greatly diminish the reactivity of the system. If the impurities do not desorb, once the system reaches a stationary state, the CO2 production disappears. When the impurities are allowed to desorb, there are regions where the CO2 reaction window reappears, although greatly reduced. Following experimental evidence that indicates that temperature effects are crucial in many catalytic processes, here we further analyze these effects by including a CO desorption rate. We find that the CO desorption has the effect to smooth the transition between the reactive and the CO rich phase, and most importantly it can counteract the negative effects of the presence of impurities by widening the reactive window such that now the system remains catalytically active in the whole range of CO pressures.

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confidence: 80%

Model for the catalytic oxidation of CO, including gas-phase impurities and CO desorption

Rikvold

2013

Phys. Rev. E

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“…The introduction of an asymmetrically oscillating reactant pressure makes the transition second-order. Fourth order cumulants and finite size scaling evidence suggests that this far from equilibrium phase transition belongs to the equilibrium Ising universality class [24].…”

Section: Introductionmentioning

confidence: 99%

First-Order Phase Transition in a Modified Ziff-Gulari-Barshad Model with Self-oscillating Reactant Coverages

Sinha

Mukherjee

2012

J Stat Phys

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Using kinetic Monte Carlo simulations, we study the effect of oscillatory kinetics due to surface reconstructions on Ziff-Gulari-Barshad (ZGB) model discontinuous phase transition. To investigate the transition, we do extensive finite size scaling analysis. It is found that the discontinuous transition still exists. On inclusion of desorption in the model, the order-parameter probability distribution broadens but remains bimodal. That is, the firstorder phase transition becomes weaker with increase in desorption rate.

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“…These include mean-field studies of domainwall motion in an anisotropic XY model in one dimension [12,13,14], KMC simulations of a three-dimensional Ising system [15], and KMC simulations of a uniaxially anisotropic Heisenberg system in an off-axial field [16], an elliptically polarized applied field [17], and with the effect of a thin-film surface energy [18,19,20]. The phenomenon has also been observed in simulations of CO oxidation under oscillating CO pressure [21,22]. Further simulation studies of the DPT in the two-dimensional kinetic Ising model have appeared [23,24,25,26,27], as well as analytical studies of the DPT [28,29,30,31].…”

Section: Introductionmentioning

confidence: 99%

Conjugate field and fluctuation-dissipation relation for the dynamic phase transition in the two-dimensional kinetic Ising model

et al. 2007

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The two-dimensional kinetic Ising model, when exposed to an oscillating applied magnetic field, has been shown to exhibit a nonequilibrium, second-order dynamic phase transition (DPT), whose order parameter Q is the period-averaged magnetization. It has been established that this DPT falls in the same universality class as the equilibrium phase transition in the two-dimensional Ising model in zero applied field. Here we study for the first time the scaling of the dynamic order parameter with respect to a nonzero, period-averaged, magnetic 'bias' field, H b , for a DPT produced by a square-wave applied field. We find evidence that the scaling exponent,

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Response of a catalytic reaction to periodic variation of the CO pressure: IncreasedCO2production and dynamic phase transition

Cited by 41 publications

References 38 publications

Model for the catalytic oxidation of CO, including gas-phase impurities and CO desorption

Model for the catalytic oxidation of CO, including gas-phase impurities and CO desorption

First-Order Phase Transition in a Modified Ziff-Gulari-Barshad Model with Self-oscillating Reactant Coverages

Conjugate field and fluctuation-dissipation relation for the dynamic phase transition in the two-dimensional kinetic Ising model

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