Ziff-Gulari-Barshad Model in Zacros
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The conceptual CO oxidation model by Ziff, Gulari and Barshad (ZGB) served as the first demonstration of kinetic phase transitions in heterogeneous catalytic systems.1 The model includes 3 irreversible events: non-dissociative adsorption of CO, dissociative adsorption of O2, and fast reaction between an O adatom and a CO adsorbate. Such a model can be easily set up in Zacros. In this tutorial we will discuss how to create the input files for such a simulation. By changing the molar fractions of the CO and O2 species, one can reproduce the phase diagram of the original paper by Ziff et al.1
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