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

Author

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

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.

Suggested Citation

  • Huespe, V.J. & Belardinelli, R.E. & Pereyra, V.D. & Manzi, S.J., 2017. "Comparison between different adsorption–desorption kinetics schemes in two dimensional lattice gas," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 488(C), pages 162-176.
    • Handle: RePEc:eee:phsmap:v:488:y:2017:i:c:p:162-176
    DOI: 10.1016/j.physa.2017.06.028
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