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
- Autores
- Albano, Ezequiel Vicente
- Año de publicación
- 1992
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- 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).
Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas - Materia
-
Física
Ciencias Exactas
reversible phase transitions
bimolecular reaction
ZGB model - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- http://creativecommons.org/licenses/by-nc-sa/4.0/
- Repositorio
.jpg)
- Institución
- Universidad Nacional de La Plata
- OAI Identificador
- oai:sedici.unlp.edu.ar:10915/137934
Ver los metadatos del registro completo
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Monte Carlo simulation of a bimolecular reaction of the type A +(1/2) B 2 → AB : The influence of A -desorption on kinetic phase transitionsAlbano, Ezequiel VicenteFísicaCiencias Exactasreversible phase transitionsbimolecular reactionZGB modelThe 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).Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas1992info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf226-230http://sedici.unlp.edu.ar/handle/10915/137934enginfo:eu-repo/semantics/altIdentifier/issn/0721-7250info:eu-repo/semantics/altIdentifier/issn/1432-0630info:eu-repo/semantics/altIdentifier/issn/1996-0948info:eu-repo/semantics/altIdentifier/issn/0947-8396info:eu-repo/semantics/altIdentifier/doi/10.1007/bf00334228info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-sa/4.0/Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-10-22T17:12:51Zoai:sedici.unlp.edu.ar:10915/137934Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-10-22 17:12:51.523SEDICI (UNLP) - Universidad Nacional de La Platafalse |
| dc.title.none.fl_str_mv |
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 |
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 |
| spellingShingle |
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 Albano, Ezequiel Vicente Física Ciencias Exactas reversible phase transitions bimolecular reaction ZGB model |
| 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 |
| dc.creator.none.fl_str_mv |
Albano, Ezequiel Vicente |
| author |
Albano, Ezequiel Vicente |
| author_facet |
Albano, Ezequiel Vicente |
| author_role |
author |
| dc.subject.none.fl_str_mv |
Física Ciencias Exactas reversible phase transitions bimolecular reaction ZGB model |
| topic |
Física Ciencias Exactas reversible phase transitions bimolecular reaction ZGB model |
| dc.description.none.fl_txt_mv |
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). Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas |
| 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). |
| publishDate |
1992 |
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1992 |
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info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Articulo http://purl.org/coar/resource_type/c_6501 info:ar-repo/semantics/articulo |
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article |
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publishedVersion |
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http://sedici.unlp.edu.ar/handle/10915/137934 |
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eng |
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eng |
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