Artículo
Finite size scaling in the heterogeneous reaction 2A + B2 −→ 2AB
Fecha de publicación:
01/2022
Editorial:
Univ Kragujevac
Revista:
Match-communications In Mathematical And In Computer Chemistry
ISSN:
0340-6253
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
In the present paper we extend the exact solution previously obtained for the heterogeneous catalytic reaction 2A+B2 → 2AB on small 2×2 domains, to arbitrary lattice sizes (N × N) and calculate the average number of reactive steps necessary to poison the lattice first,< t >. We determine < t > as a function of N through Monte Carlo simulations previously contrasted with the exact solution in 2 × 2 lattices. We show that < t > follows a power law with N, without appreciable transient behaviors, and a scale factor (ν) dependent on the two parameters of the model, the sticking coefficient probability s and the desorption probability pd. The dependence of ν on both s and pd is determined.
Palabras clave:
Surfaces
,
Chemical Reaction
,
Statistical Mechanics
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Articulos(INIFTA)
Articulos de INST.DE INV.FISICOQUIMICAS TEORICAS Y APLIC.
Articulos de INST.DE INV.FISICOQUIMICAS TEORICAS Y APLIC.
Citación
Hernández Guiance, Sabrina Noemí; Coria, Daniel I.; Irurzun, Isabel Maria; Finite size scaling in the heterogeneous reaction 2A + B2 −→ 2AB; Univ Kragujevac; Match-communications In Mathematical And In Computer Chemistry; 87; 2; 1-2022; 321-328
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