Abstract
In the paper we present a cellular automaton model of electrochemical oxidation of the carbon. A two-dimensional sample of the electro-conductive carbon black “Ketjenblack ES DJ 600” is simulated. In the model the sample consists of a ring-formed granules of carbon. The carbon granules under the influence of the electrochemical oxidation are destroyed through a few successive stages. The rates of these oxidation stages are chosen to fit the simulation result with the experiment. In result of a computer simulation of carbon electrochemical oxidation the portions of surface atoms and atoms with different degree of oxidation were calculated and compared with the experimental data. In addition, a parallel implementation of the cellular automaton simulating the carbon corrosion is developed and efficiency of the parallel code is analyzed.
Supported by Russian Science Foundation under Grant 14-11-00083.
This is a preview of subscription content, log in via an institution.
Buying options
Tax calculation will be finalised at checkout
Purchases are for personal use only
Learn about institutional subscriptionsNotes
- 1.
The website of the JSCC RAS is http://www.jscc.ru/.
References
Toffoli, T., Margolus, N.: Cellular Automata Machines: A New Environment for Modeling, p. 259. MIT Press, USA (1987)
Sabelfeld, K.K., Brandt, O., Kaganer, V.M.: Stochastic model for the fluctuation-limited reaction-diffusion kinetics in inhomogeneous media based on the nonlinear Smoluchowski equations. J. Math. Chem. 53(2), 651–669 (2015)
Karasev, V.V., Onischuk, A.A., Glotov, O.G., Baklanov, A.M., Maryasov, A.G., Zarko, V.E., Panlov, V.N., Levykin, A.I., Sabelfeld, K.K.: Formation of charged aggregates of \({\rm Al}_2{\rm O}_3\) nanoparticles by combustion of aluminum droplets in air. Combust. Flame 138, 40–54 (2004)
Gillespie, D.T.: A diffusional bimolecular propensity function. J. Chem. Phys. 131(16), 164109-1–164109-13 (2009)
DOE The US Department of Energy (DOE). Energy Efficiency and Renewable Energy. http://www.eere.energy.gov/hydrogenandfuelcells/mypp/pdfs/fuel_Cells.pdf and the US DRIVE Fuel Cell Technical Team Technology Roadmap. www.uscar.org/guest/teams/17/Fuel-Cell-Tech-Team
Li, L., Hu, L., Li, J., Wei, Z.: Enhanced stability of Pt nanoparticle electrocatalysts for fuel cells. Nano Res. 8(2), 418–440 (2015)
Capelo, A., de Esteves, M.A., de Sá, A.I., Silva, R.A., Cangueiro, L., Almeida, A., et al.: Stability and durability under potential cycling of Pt/C catalyst with new surface-functionalized carbon support. Int. J. Hydrog. Energy 41(30), 12962–12975 (2016)
Gribov, E.N., Kuznetzov, A.N., Golovin, V.A., Voropaev, I.N., Romanenko, A.V., Okunev, A.G.: Degradation of Pt/C catalysts in start-stop cycling tests. Russian J. Electrochem. 50(7), 700–711 (2014)
Gribov, E.N., Kuznetsov, A.N., Voropaev, I.N., Golovin, V.A., Simonov, P.A., Romanenko, A.V., et al.: Analysis of the corrosion kinetic of Pt/C catalysts prepared on different carbon supports under the Start-Stop cycling. Electrocatalysis 7, 159–73 (2016)
Shrestha, S., Liu, Y., Mustain, W.E.: Electrocatalytic activity and stability of Pt clusters on state-of-the-art supports: a review. Catal. Rev. Sci. Eng. 53, 256–336 (2011)
Meyers, J.P., Darling, R.M.: Model of carbon corrosion in PEM fuel cells. J. Electrochem. Soc. 153(8), A1432–A1442 (2006)
Pandy, A., Yang, Z., Gummalla, M., Atrazhev, V.V., Kuzminyh, N., Vadim, I.S., Burlatsky, S.F.: A carbon corrosion model to evaluate the effect of steady state and transient operation of a polymer electrolyte membrane fuel cell. J. Electrochem. Soci. 160(9), F972–F979 (2013). arXiv:1401.4285 [physics.chem-ph]. doi:10.1149/2.036309jes
Chen, J., Siegel, J.B., Matsuura, T., Stefanopoulou, A.G.: Carbon corrosion in PEM fuel cell dead-ended anode operations. J. Electrochem. Soc. 158(9), B1164–B1174 (2011)
Gallagher, K.G., Fuller, T.F.: Kinetic model of the electrochemical oxidation of graphitic carbon in acidic environments. Phys. Chem. Chem. Phys. 11, 11557–11567 (2009)
Gribov, E.N., Maltseva, N.V., Golovin, V.A., Okunev, A.G.: A simple method for estimating the electrochemical stability of the carbon materials. Int. J. Hydrog. Energy 41, 18207–18213 (2016)
Golovin, V.A., Maltseva, N.V., Gribov, E.N., Okunev, A.G.: New nitrogen-containing carbon supports with improved corrosion resistance for proton exchange membrane fuel cells. Int. J. Hydrog. Energy (in press). doi:10.1016/j.ijhydene.2017.02.117
Maltseva, N.V., Golovin, V.A., Chikunova, Y., Gribov, E.N.: Influence of the number of surface oxygen on the electrochemical capacity and stability of high surface Ketjen Black ES 600 DJ. Submitted in Russ. J. Electrochem
Meier, J.C., Katsounaros, I., Galeano, C., Bongard, H.J., Topalov, A.A., Kostka, A., et al.: Stability investigations of electrocatalysts on the nanoscale. Energy Environ. Sci. 5, 9319–9330 (2012)
Bandman, O.L.: Mapping physical phenomena onto CA-models, AUTOMATA-2008. In: Adamatzky, A., Alonso-Sanz, R., Lawniczak, A., Martinez, G.J., Morita, K., Worsch, T. (eds.) Theory and Applications of Cellular Automata, pp. 381–397. Luniver Press, UK (2008)
Bandman, O.L.: Cellular automata composition techniques for spatial dynamics simulation. In: Hoekstra, A.G., et al. (eds.) Simulating Complex Systems by Cellular Automata. Understanding Complex Systems, Berlin, pp. 81–115 (2010)
Abubaker, A., Qahwaji, R., Ipson, S., Saleh, M.: One scan connected component labeling technique, signal processing and communications. In: IEEE International Conference on ICSPC 2007, pp. 1283–1286 (2007)
Author information
Authors and Affiliations
Corresponding author
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2017 Springer International Publishing AG
About this paper
Cite this paper
Kireeva, A.E., Sabelfeld, K.K., Maltseva, N.V., Gribov, E.N. (2017). Parallel Implementation of Cellular Automaton Model of the Carbon Corrosion Under the Influence of the Electrochemical Oxidation. In: Malyshkin, V. (eds) Parallel Computing Technologies. PaCT 2017. Lecture Notes in Computer Science(), vol 10421. Springer, Cham. https://doi.org/10.1007/978-3-319-62932-2_19
Download citation
DOI: https://doi.org/10.1007/978-3-319-62932-2_19
Published:
Publisher Name: Springer, Cham
Print ISBN: 978-3-319-62931-5
Online ISBN: 978-3-319-62932-2
eBook Packages: Computer ScienceComputer Science (R0)