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

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Abstract

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 first-order phase transition becomes weaker with increase in desorption rate.

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Authors and Affiliations

  1. Department of Applied Chemistry, Institute of Technology, Banaras Hindu University, Varanasi, 221005, India

    I. Sinha & A. K. Mukherjee

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  1. I. Sinha
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  2. A. K. Mukherjee
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Correspondence to I. Sinha.

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Sinha, I., Mukherjee, A.K. First-Order Phase Transition in a Modified Ziff-Gulari-Barshad Model with Self-oscillating Reactant Coverages. J Stat Phys 146, 669–686 (2012). https://doi.org/10.1007/s10955-011-0414-5

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  • DOI: https://doi.org/10.1007/s10955-011-0414-5

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