Artículo

Kinetic Monte Carlo simulation of molecular processes on supported metal particles

Sales, Jose LuisIcon ; Gargiulo Almeida, María Verónica; Zgrablich, G.
Fecha de publicación: 01/2011
Editorial: Springer/Plenum Publishers
Revista: Topics In Catalysis
ISSN: 1022-5528
Idioma: Inglés
Tipo de recurso: Artículo publicado
Clasificación temática:

Resumen

A general model is proposed to describe the kinetics of molecular reactions taking place on supported metal particles, which are deformed by the effect of temperature, through kinetic Monte Carlo simulations. The model is applied to the study of the CO oxidation reaction. The effects of adsorbate-adsorbate and adsorbate-metal interactions and of CO and metal atoms diffusion on the reaction window and the overall reaction rate are determined.
Palabras clave: CATALYTIC REACTIONS , MONTE CARLO SIMULATION , SUPPORTED METAL PARTICLES
 
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Licencia
info:eu-repo/semantics/restrictedAccess Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Creative Commons Attribution-NonCommercial-ShareAlike 2.5 Unported (CC BY-NC-SA 2.5)
Identificadores
URI: http://hdl.handle.net/11336/189392
URL: https://link.springer.com/article/10.1007/s11244-011-9647-4
DOI: http://dx.doi.org/10.1007/s11244-011-9647-4
Colecciones
Articulos(CCT - SAN JUAN)
Articulos de CENTRO CIENTIFICO TECNOLOGICO CONICET - SAN JUAN
Citación
Sales, Jose Luis; Gargiulo Almeida, María Verónica; Zgrablich, G.; Kinetic Monte Carlo simulation of molecular processes on supported metal particles; Springer/Plenum Publishers; Topics In Catalysis; 54; 1-4; 1-2011; 101-107
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