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The Journal of Supercomputing

, Volume 75, Issue 12, pp 7790–7798 | Cite as

Parallel implementation of a three-dimensional cellular automaton model of the electrochemical oxidation of carbon “Ketjenblack EC-600JD”

  • A. E. KireevaEmail author
  • K. K. Sabelfeld
  • E. N. Gribov
  • N. V. Maltseva
Article
  • 107 Downloads

Abstract

The paper presents a three-dimensional cellular automaton model of electrochemical oxidation of the carbon. The sample of the electro-conductive carbon black “Ketjenblack EC-600JD” consisting of granules of carbon is simulated. The electrochemical oxidation of the carbon granules occurs through a few successive stages. Parallel implementation of the three-dimensional cellular automaton model of carbon corrosion is developed. The efficiency and speedup of the parallel code are analyzed. The portions of surface carbon atoms and atoms with different degree of oxidation are computed by the parallel code. Based on the obtained values of atom portions the electrochemical capacity is calculated. The results of computer simulation are compared with the experimental data.

Keywords

Parallel implementation Cellular automaton Domain decomposition Connected component Electrochemical oxidation Carbon corrosion 

Notes

Acknowledgements

K. K. Sabelfeld and A. E. Kireeva kindly acknowledge the support of the Russian Science Foundation under the Grant \(\hbox {N}^{\underline{\mathrm{o}}}\) 14-11-00083 on the computer simulation algorithm development. E.N. Gribov and N.V. Maltseva carried out the experimental work under the support of the budget project AAAA-A17-117041710087-3 of Boreskov Institute of Catalysis.

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Copyright information

© Springer Science+Business Media, LLC, part of Springer Nature 2018

Authors and Affiliations

  1. 1.Institute of Computational Mathematics and Mathematical Geophysics SB RASNovosibirskRussia
  2. 2.Boreskov Institute of Catalysis SB RASNovosibirskRussia
  3. 3.Novosibirsk State UniversityNovosibirskRussia

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