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The heterogeneous catalytic reaction 2A + B2 → 2AB exactly solved on a small lattice

Authors
Journal
Chemical Physics Letters
0009-2614
Publisher
Elsevier
Publication Date
Volume
449
Identifiers
DOI: 10.1016/j.cplett.2007.10.049
Disciplines
  • Chemistry

Abstract

Abstract We studied a kinetic model of a generic heterogeneous catalytic reaction 2 A ∗ + B 2 ∗ → 2 AB g . This reaction includes the steps of adsorption and desorption of reactants A and B 2, where B 2 requires two neighboring adsorption sites to be adsorbed. We solved the model exactly and without any restriction on a 2 × 2 lattice. Despite the reduced number of sites employed, the solution shows the main general features observed by simulating the mechanism on a large N × N lattice. This result should encourage the search for an analytical solution as a reliable form to unravel details of a chemical reaction prior to performing numerical simulations.

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