Monte Carlo simulation of a bimolecular reaction of the type A +(1/2) B 2 → AB : The influence of A -desorption on kinetic phase transitions

The model recently proposed by Ziff et al. [1] for reactions of the type A+(1/2)B2 → AB is extended in order to study the effect of A-desorption on irreversible (kinetic) phase transitions (IPT). The IPT from a stationary state with AB-production to a B-poisoned state is not influenced by A-desorpti...

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Autor principal: Albano, Ezequiel Vicente
Formato: Articulo
Lenguaje:Inglés
Publicado: 1992
Materias:
Física
Ciencias Exactas
reversible phase transitions
bimolecular reaction
ZGB model
Acceso en línea:http://sedici.unlp.edu.ar/handle/10915/137934
Aporte de:
SEDICI (UNLP) de Universidad Nacional de La Plata
id I19-R120-10915-137934
record_format dspace
institution Universidad Nacional de La Plata
institution_str I-19
repository_str R-120
collection SEDICI (UNLP)
language Inglés
topic Física
Ciencias Exactas
reversible phase transitions
bimolecular reaction
ZGB model
spellingShingle Física
Ciencias Exactas
reversible phase transitions
bimolecular reaction
ZGB model
Albano, Ezequiel Vicente
Monte Carlo simulation of a bimolecular reaction of the type A +(1/2) B 2 → AB : The influence of A -desorption on kinetic phase transitions
topic_facet Física
Ciencias Exactas
reversible phase transitions
bimolecular reaction
ZGB model
description The model recently proposed by Ziff et al. [1] for reactions of the type A+(1/2)B2 → AB is extended in order to study the effect of A-desorption on irreversible (kinetic) phase transitions (IPT). The IPT from a stationary state with AB-production to a B-poisoned state is not influenced by A-desorption. On the other hand, desorption of A-species prevents the existence of a truly A-poinsoned state. Therefore the IPT from the stationary regime to an A-poisoned state does not occur but an apparent phase transition is observed for small values of the desorption probability (PD). The rate of AB-production (R AB) crosses over from a regime where it becomes dominated by the rate of A-adsorption, when the coverage with A-species is negligible to another regime where R AB is dominated by the rate of B2-adsorption, when the coverage with B-species is negligible. Within the former regime, R AB decays exponentially with the mole fraction of A-molecules in the gas phase and exhibits a power law dependence with P D (exponent γ=2).
format Articulo
Articulo
author Albano, Ezequiel Vicente
author_facet Albano, Ezequiel Vicente
author_sort Albano, Ezequiel Vicente
title Monte Carlo simulation of a bimolecular reaction of the type A +(1/2) B 2 → AB : The influence of A -desorption on kinetic phase transitions
title_short Monte Carlo simulation of a bimolecular reaction of the type A +(1/2) B 2 → AB : The influence of A -desorption on kinetic phase transitions
title_full Monte Carlo simulation of a bimolecular reaction of the type A +(1/2) B 2 → AB : The influence of A -desorption on kinetic phase transitions
title_fullStr Monte Carlo simulation of a bimolecular reaction of the type A +(1/2) B 2 → AB : The influence of A -desorption on kinetic phase transitions
title_full_unstemmed Monte Carlo simulation of a bimolecular reaction of the type A +(1/2) B 2 → AB : The influence of A -desorption on kinetic phase transitions
title_sort monte carlo simulation of a bimolecular reaction of the type a +(1/2) b 2 → ab : the influence of a -desorption on kinetic phase transitions
publishDate 1992
url http://sedici.unlp.edu.ar/handle/10915/137934
work_keys_str_mv AT albanoezequielvicente montecarlosimulationofabimolecularreactionofthetypea12b2abtheinfluenceofadesorptiononkineticphasetransitions
bdutipo_str Repositorios
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