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

A. E. Kireeva, K. K. Sabelfeld, E. N. Gribov, N. V. Maltseva

Research output: Contribution to journalArticlepeer-review

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.

Original languageEnglish
Pages (from-to)7790-7798
Number of pages9
JournalJournal of Supercomputing
Volume75
Issue number12
DOIs
Publication statusPublished - 1 Dec 2019

Keywords

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

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