Finite size scaling in the heterogeneous reaction 2A + B2 → 2AB
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Published:2021
Issue:2
Volume:87
Page:321-328
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ISSN:0340-6253
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Container-title:MATCH Communications in Mathematical and in Computer Chemistry
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language:
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Short-container-title:match
Author:
Hernandez Guiance Sabrina, ,Coria Daniel,Irurzun Isabel
Abstract
In the present paper we extend the exact solution previously obtained for the heterogeneous catalytic reaction 2A + B2 → 2AB on small domains, to arbitrary lattice sizes () and calculate the average number of reactive steps necessary to poison the lattice first, . We determine as a function of through Monte Carlo simulations previously contrasted with the exact solution in lattices. We show that follows a power law with , without appreciable transient behaviors, and a scale factor () dependent on the two parameters of the model, the sticking coefficient probability and the desorption probability . The dependence of on both and is determined.
Publisher
University Library in Kragujevac
Subject
Applied Mathematics,Computational Theory and Mathematics,Computer Science Applications,General Chemistry