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Effect of the Coadsorption of CO and O2 on the Phase Diagram of the Ziff-Gulari-Barshad Model |
| HUA Da-Yin;MA Yu-Qiang |
| National Laboratory of Solid State Microstructures, Nanjing
University, Nanjing 210093 |
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| Cite this article: |
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HUA Da-Yin, MA Yu-Qiang 2002 Chin. Phys. Lett. 19 534-536 |
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Abstract The effect of the coadsorption of CO and O2 on the Ziff-Gulari-Barshad surface catalytic reaction system is studied by Monte Carlo simulation. The coadsorption of both species adds an extra reaction step to the classical Ziff-Gulari-Barshad model. It is shown that the second-order phase transition from the reactive state to the O-passivated state in the Ziff-Gulari-Barshad model is eliminated, and the production rate of CO2 increases linearly along the fraction yco of CO in gas phase when it is low, in agreement with experimental results. We also find that the increase of the probability of the coadsorption leads to the decrease of the critical value of yco of the discontinuous phase transition to the CO-passivated state.
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| Keywords:
64.60.Ht
82.65.Jv
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Published: 01 April 2002
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