Artículo

Finite size scaling in the heterogeneous reaction 2A + B2 −→ 2AB

Hernández Guiance, Sabrina Noemí Icon; Coria, Daniel I. ; Irurzun, Isabel Maria Icon

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Fecha

01/2022

Editorial

Univ Kragujevac

Revista

Match-communications In Mathematical And In Computer Chemistry

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Institución organizadora

ISSN

0340-6253

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Inglés

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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.

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