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Simulation of Surface Reactions in Heterogeneous Catalysis: Sequential and Parallel Aspects

  • B. Sente
  • M. Dumont
  • P. Dufour
Conference paper
Part of the Springer Proceedings in Physics book series (SPPHY, volume 46)

Abstract

In order to investigate the steady state properties of the bimolecular surface reaction
$$A + \frac{1} {2}B_2 \to AB $$
on catalytic surfaces, we derive kinetic equations of the mean field approximation (MFA) type and we compare resulting kinetic phase transition points, bistability and hysteresis characteristics with those obtained by Monte Carlo simulations performed on a sequential computer or on a parallel one (which requires the construction of a probabilistic CA machine).

Keywords

Monte Carlo Simulation Near Neighbor Mean Field Approximation Near Neighbor Site Steady State Property 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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References

  1. [1]
    M. Dumont, P. Dufour, B. Sente and R. Dagonnier, submitted to Journal of Catalysis.Google Scholar
  2. [2]
    M. Dumont, P. Dufour, V. Chabart and J. Lion, Computers and Chemistry 13 (1989) 25. (1989).CrossRefGoogle Scholar
  3. [3]
    B. Chopard and M. Droz, J. Phys. A 21 (1988) 205.ADSGoogle Scholar
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    R.M. Ziff, E. Gulari and Y. Barshad, Phys. Rev. Lett. 56 (1986) 2553.ADSCrossRefGoogle Scholar
  5. [5]
    R. Dickmann, Phys. Rev. A 34 (1986) 4246.ADSGoogle Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg 1989

Authors and Affiliations

  • B. Sente
    • 1
  • M. Dumont
    • 2
  • P. Dufour
    • 1
  1. 1.Faculté des SciencesUniversité de Mons-HainautMonsBelgium
  2. 2.Research Associate FNRSBelgium

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