Yaldram-Khan model with CO and N desorption

Autor:	Gloria M. Buendía, Jonas Diaz
Rok vydání:	2017
Předmět:	Surface (mathematics) History Materials science Checkerboard Desorption Phase (matter) Molecule Thermodynamics Selective catalytic reduction Kinetic Monte Carlo Square lattice Computer Science Applications Education
Zdroj:	Journal of Physics: Conference Series. 921:012016
ISSN:	1742-6596 1742-6588
DOI:	10.1088/1742-6596/921/1/012016
Popis:	We present kinetic Monte Carlo simulations of a modified Yaldram-Khan (YK) model for the catalytic reduction of NO on a surface. The model includes the individual desorption of CO molecules and N atoms, associated with temperature effects. We find that the combined desorption of these species produces a reactive phase that is absent in the original YK model on a square lattice. In this reactive phase, N checkerboard structures are reduced in size and reactive zones between them can be established.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::de4d11aa5343b69bc5b967096c0842fb https://doi.org/10.1088/1742-6596/921/1/012016 Zobrazit plný text záznamu