Parallel Implementation of a Three-Dimensional Cellular Automaton Model of the Electrochemical Oxidation of Carbon “Ketjenblack EC-600JD” | Sciact - CRIS-system of Boreskov Institute of Catalysis

Parallel Implementation of a Three-Dimensional Cellular Automaton Model of the Electrochemical Oxidation of Carbon “Ketjenblack EC-600JD” Full article

Journal

Journal of Supercomputing
ISSN: 0920-8542 , E-ISSN: 1573-0484

Output data

Year: 2019, Volume: 75, Number: 12, Pages: 7790-7798 Pages count : 9 DOI: 10.1007/s11227-018-2474-7

Tags

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

Authors

Kireeva A.E. ¹ , Sabelfeld K.K. ^1,3 , Gribov E.N. ^2,3 , Maltseva N.V. ²

Affiliations

1	Institute of Computational Mathematics and Mathematical Geophysics SB RAS, Pr. Lavrentjeva, 6, Novosibirsk, Russia
2	Boreskov Institute of Catalysis SB RAS, pr. Lavrentieva, 5, Novosibirsk, Russia
3	Novosibirsk State University, Pirogova str., 2, Novosibirsk, Russia

Funding (2)

1	Federal Agency for Scientific Organizations	0303-2016-0016
2	Russian Science Foundation	14-11-00083

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.

Kireeva A.E. , Sabelfeld K.K. , Gribov E.N. , Maltseva N.V.
Parallel Implementation of a Three-Dimensional Cellular Automaton Model of the Electrochemical Oxidation of Carbon “Ketjenblack EC-600JD”
Journal of Supercomputing. 2019. V.75. N12. P.7790-7798. DOI: 10.1007/s11227-018-2474-7 WOS Scopus РИНЦ OpenAlex

Published online:	Jul 2, 2018
Published print:	Dec 1, 2019

Web of science:	WOS:000507498000005
Scopus:	2-s2.0-85049592414
Elibrary:	41796666
OpenAlex:	W2809959272

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