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Modeling the NO+H2 reaction on a Pt field emitter tip : Mean-field analysis and Monte Carlo simulations

par De Decker, Yannick ;Baras, Florence ;Kruse, Norbert ;Nicolis, Grégoire
Référence Journal of Physical Chemistry (1952), 117, 22, page (10244-10257)
Publication Publié, 2002-09-11

Article révisé par les pairs

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Résumé :

A minmwlmodel for the NO + 112 reaction on a ]'t cmitter tip is proposed, with emphasis placcd on surtnc.:: explosions observed in fleld ion microscopy experiments. The model is first studied in the mean-neld approximation, where it is shown 10 exhibit bistability and associated explosive phenomcna. Using kinetic Monte Carlo simulalions, irreversihle phase translIions, fluctuation induced dynamics and reaclion front prop.1gallon arc observed, which arc not predicted by the mean- field approach, This comparative study allow; to shed some light on the orgins of the surface explosions. and to ffivestigate lhe influcnce of the discrete nature of the suppon on the dynamics.