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

doi:10.1007/s11227-018-2474-7

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 journal › Article › peer-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 language	English
Pages (from-to)	7790-7798
Number of pages	9
Journal	Journal of Supercomputing
Volume	75
Issue number	12
DOIs	https://doi.org/10.1007/s11227-018-2474-7
Publication status	Published - 1 Dec 2019

Keywords

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

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10.1007/s11227-018-2474-7

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

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.",

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AU - Maltseva, N. V.

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AB - 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.

KW - Carbon corrosion

KW - Cellular automaton

KW - Connected component

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