Monte Carlo study of the CO-poisoning dynamics in a model for the catalytic oxidation of CO

Ezequiel V.Albano; Joaquin Marro

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Monte Carlo study of the CO-poisoning dynamics in a model for the catalytic oxidation of CO

机译：蒙特卡洛法研究一氧化碳催化氧化模型中的一氧化碳中毒动力学

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The poisoning dynamics of the Ziff-Gulari-Barshad [Phys. Rev. Lett. 56,2553 (1.986)] model, {or a monomer-dimer reaction, is studied by means of Monte Carlo simulations. Studies are performed within the monomer absorbing state and close to the coexistence point. Analysis of the average poisoning time ( T p) allows us to propose a phenomenological scaling approach in which T p diverges logarithmically with the lattice side and algebraically with the distance to the coexistence point. The structure of monomer clusters during poisoning is analyzed and compared with observations at coexistence.

机译：Ziff-Gulari-Barshad [物理化学。牧师56,2553（1.986）]模型（或单体-二聚体反应）是通过Monte Carlo模拟研究的。研究是在单体吸收状态下并在共存点附近进行的。通过分析平均中毒时间（T p），我们可以提出一种现象学的标度方法，其中T p与晶格侧对数地分开，到共存点的距离与对数分开。分析了中毒过程中单体簇的结构，并与共存观察结果进行了比较。

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《The Journal of Chemical Physics》 |2000年第22期|共5页
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Ezequiel V.Albano; Joaquin Marro;
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Monte Carlo study of the CO-poisoning dynamics in a model for the catalytic oxidation of CO

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