Comparison between different adsorption–desorption kinetics schemes in two dimensional lattice gas

V.J. Huespe, R.E. Belardinelli, V.D. Pereyra and S.J. Manzi

Physica A: Statistical Mechanics and its Applications, 2017, vol. 488, issue C, 162-176

Abstract: Monte Carlo simulation is used to study the adsorption–desorption kinetics in the framework of the kinetic lattice-gas model. Three schemes of the so-called hard dynamics and five schemes of the so called soft dynamics were used for this purpose. It is observed that for the hard dynamic schemes, the equilibrium and non-equilibrium observable, such as adsorption isotherms, sticking coefficients, and thermal desorption spectra, have a normal or physical sustainable behavior. While for the soft dynamics schemes, with the exception of the transition state theory, the equilibrium and non-equilibrium observables have several problems.

Keywords: Dynamic schemes; Sticking coefficient; Programmed thermal desorption spectra; Monte Carlo simulation (search for similar items in EconPapers)
Date: 2017
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:488:y:2017:i:c:p:162-176

DOI: 10.1016/j.physa.2017.06.028

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