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

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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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  1. The website of the JSCC RAS is http://www.jscc.ru/.

References

  1. Toffoli T, Margolus N (1987) Cellular automata machines: a new environment for modeling. MIT Press, Boston, p 259

    Book  Google Scholar 

  2. The US DRIVE Fuel Cell Technical Team Technology Roadmap www.uscar.org/guest/teams/17/Fuel-Cell-Tech-Team

  3. Capelo A, Esteves MA, de S AI, Silva RA, Cangueiro L, Almeida A et al (2016) Stability and durability under potential cycling of Pt/C catalyst with new surface-functionalized carbon support. Int J Hydrogen Energy 41(30):12962–12975

    Article  Google Scholar 

  4. Gribov EN, Kuznetzov AN, Golovin VA, Voropaev IN, Romanenko AV, Okunev AG (2014) Degradation of Pt/C catalysts in start-stop cycling tests. Russ J Electrochem 50(7):700–711

    Article  Google Scholar 

  5. Li L, Hu L, Li J, Wei Z (2015) Enhanced stability of Pt nanoparticle electrocatalysts for fuel cells. Nano Res. 8(2):418–440

    Article  Google Scholar 

  6. Shrestha S, Liu Y, Mustain WE (2011) Electrocatalytic activity and stability of Pt clusters on state-of-the-art supports: a review. Catal. Rev. Sci. Eng. 53:256–336

    Article  Google Scholar 

  7. Gribov EN, Kuznetsov AN, Voropaev IN, Golovin VA, Simonov PA, Romanenko AV et al (2016) Analysis of the corrosion kinetic of Pt/C catalysts prepared on different carbon supports under the “Start-Stop” cycling. Electrocatalysis 7:159–73

    Article  Google Scholar 

  8. Chen J, Siegel JB, Matsuura T, Stefanopoulou AG (2011) Carbon corrosion in PEM fuel cell dead-ended anode operations. J Electrochem Soc 158(9):B1164–B1174

    Article  Google Scholar 

  9. Pandy A, Yang Z, Gummalla M, Atrazhev VV, Kuzminyh NYu, Vadim IS, Burlatsky SF (2013) A carbon corrosion model to evaluate the effect of steady state and transient operation of a polymer electrolyte membrane fuel cell. J Electrochem Soc 160(9):F972–F979. https://doi.org/10.1149/2.036309jes arXiv:1401.4285 [physics.chem-ph]

    Article  Google Scholar 

  10. Meyers JP, Darling Robert M (2006) Model of carbon corrosion in PEM fuel cells. J Electrochem Soc 153(8):A1432–A1442

    Article  Google Scholar 

  11. Gallagher KG, Fuller TF (2009) Kinetic model of the electrochemical oxidation of graphitic carbon in acidic environments. Phys Chem Chem Phys 11:11557–11567

    Article  Google Scholar 

  12. Golovin VA, Maltseva NV, Gribov EN, Okunev AG (2017) New nitrogen-containing carbon supports with improved corrosion resistance for proton exchange membrane fuel cells. Int J Hydrogen Energy 42:11159–11165

    Article  Google Scholar 

  13. Gribov EN, Maltseva NV, Golovin VA, Okunev AG (2016) A simple method for estimating the electrochemical stability of the carbon materials. Int J Hydrogen Energy 41:18207–18213

    Article  Google Scholar 

  14. Maltseva NV, Golovin VA, Chikunova YuO, Gribov EN (2018) Influence of the number of surface oxygen on the electrochemical capacity and stability of high surface Ketjen Black ES 600 DJ. Russ J Electrochem 54(5):489–496

    Article  Google Scholar 

  15. Kireeva AE, Sabelfeld KK, Maltseva NV, Gribov EN (2017) Parallel implementation of cellular automaton model of the carbon corrosion under the influence of the electrochemical oxidation. In: Malyshkin V (ed) PaCT 2017, LNCS, vol 10421, pp 205–214. https://doi.org/10.1007/978-3-319-62932-2_19

    Google Scholar 

  16. Meier JC, Katsounaros I, Galeano C, Bongard HJ, Topalov AA, Kostka A et al (2012) Stability investigations of electrocatalysts on the nanoscale. Energy Environ Sci 5:9319–9330

    Article  Google Scholar 

  17. Bandman OL (2010) Cellular automata composition techniques for spatial dynamics simulation. In: Simulating complex systems by cellular automata. In: Hoekstra AG et al (eds) Understanding complex systems, Berlin, pp 81–115

  18. Abubaker A, Qahwaji R, Ipson S, Saleh M (2007) One scan connected component labeling technique, signal processing and communications. In: ICSPC 2007. IEEE International Conference, pp 1283–1286

  19. Godsil C, Royle GF (2001) Algebraic graph theory. In: Graduate texts in mathematics, vol 207, 443 P. https://doi.org/10.1007/978-1-4613-0163-9

    Book  Google Scholar 

Download references

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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Authors and Affiliations

  1. Institute of Computational Mathematics and Mathematical Geophysics SB RAS, Pr. Lavrentjeva, 6, Novosibirsk, Russia

    A. E. Kireeva & K. K. Sabelfeld

  2. Boreskov Institute of Catalysis SB RAS, pr. Lavrentieva, 5, Novosibirsk, Russia

    E. N. Gribov & N. V. Maltseva

  3. Novosibirsk State University, Pirogova str., 2, Novosibirsk, Russia

    K. K. Sabelfeld & E. N. Gribov

Authors
  1. A. E. Kireeva
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  2. K. K. Sabelfeld
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  3. E. N. Gribov
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  4. N. V. Maltseva
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Correspondence to A. E. Kireeva.

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Kireeva, A.E., Sabelfeld, K.K., Gribov, E.N. et al. Parallel implementation of a three-dimensional cellular automaton model of the electrochemical oxidation of carbon “Ketjenblack EC-600JD”. J Supercomput 75, 7790–7798 (2019). https://doi.org/10.1007/s11227-018-2474-7

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  • DOI: https://doi.org/10.1007/s11227-018-2474-7

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