Numerical Investigation on Surface Coverage of Weakly-Adsorbed Molecular SO2 Contaminant in a PEM Fuel Cell Cathode

  • Authors

    • Saiful Hasmady
    • Kazuyoshi Fushinobu
    https://doi.org/10.14419/ijet.v7i4.35.23110

    Received date: December 3, 2018

    Accepted date: December 3, 2018

    Published date: November 30, 2018

  • PEM fuel cell, sulfur dioxide, contamination, surface coverage

  • Abstract

    This paper describes attempt to numerically predict surface coverage of SO2 contaminant in a PEMFC cathode, as a step towards assessing its impact towards cell performance. Three-dimensional macro-homogeneous conservation equations of two-phase fluid flow is coupled with micro-scale cathode ORR kinetics to solve for surface coverage distribution of O-ad and SO2-ad at the surface of the catalyst layer for bulk SO2 concentrations of 2.5 and 5.0 ppm. At 2.5 ppm, SO2-ad is predicted to block ca. 20% of the active sites at cell current density of 0.2 A/cm2. The effect of SO2-ad blockage is then correlated with loss in cell performance. The numerical results are compared with experimental data from literature, which confirms that though the model successfully predicted higher potential loss with higher bulk SO2 concentration in the reactant feed, inclusion of only weakly-adsorbed SO2 will under-predict the exact potential loss experienced by the cell. This means strongly adsorbed sulfur containing species must be adopted into the model in order to better predict the severity of degradation of the cell due to SO2 contamination.

  • References

    1. R. Mohtadi, W-K. Lee, and J. W. Van Zee (2004), Assessing dura-bility of cathodes exposed to common air impurities, Journal of Power Sources, vol. 138, pp. 216–225.
    2. O. A. Baturina and K. E. Swider-Lyons (2009), Effect of SO2 on the Performance of the Cathode of a PEM Fuel Cell at 0.5–0.7 V, Journal of The Electrochemical Society, vol. 156, no. 12, pp. B1423-B1430.
    3. Y. Nagahara, S. Sugawara, and K. Shinohara (2008), The impact of air contaminants on PEMFC performance and durability, Journal of Power Sources, vol. 182, pp. 422–428.
    4. A. Q. Contractor and H. Lal (1978), The Nature of Species Ad-sorbed on Platinum from SO2 Solutions, Journal of Electroanalyti-cal Chemistry, vol. 93, pp. 99-107.
    5. Y. Zhai, G. Bender, S. Dorn, and R. Rocheleau (2010), The Multi-process Degradation of PEMFC Performance Due to Sulfur Diox-ide Contamination and Its Recovery, Journal of The Electrochemi-cal Society , vol. 157, no. 1, pp. B20-B26.
    6. K. Punyawudho, J. R. Monnier, and J. W. Van Zee (2011), SO2 Adsorption on Carbon-Supported Pt Electrocatalysts, Langmuir, vol. 27, pp. 3138-3143.
    7. S. Tsushima, K. Kaneko, H. Morioka, and S. Hirai (2012), Influence of SO2 Concentration and Relative Humidity on Electrode Poison-ing in Polymer Electrolyte Membrane Fuel Cells, Journal of Ther-mal Science and Technology, vol. 7, no. 4, pp. 619-632.
    8. S. Tsushima, H. Morioka, K. Kaneko, and S. Hirai (2008), Effect of Relative Humidity on Contamination of Cathode and Anode Elec-trodes by Sulfur Dioxide in Air Stream in PEMFC, ECS Transac-tions, vol. 16, no. 2, pp. 1043-1050.
    9. J. St-Pierre (2010), Proton exchange membrane fuel cell contamina-tion model: Competitive adsorption followed by a surface segregat-ed electrochemical reaction leading to an irreversibly adsorbed product, Journal of Power Sources, vol. 195, pp. 6379–6388.
    10. Z. Shi et al. (2009), A general model for air-side proton exchange membrane fuel cell contamination, Journal of Power Sources , vol. 186, pp. 435–445.
    11. S. Hasmady, K. Fushinobu (2014), Inclusion of surface heterogenei-ty in bridging PEM fuel cell electrode contamination kinetics and transport via a competitive Langmuir-Freundlich isotherm, Journal of Solid State Electrochemistry, vol. 18 (12), pp. 3387 – 3405.
    12. H. L. Toor (1964), Solution of the Linearized Equations of Multi-component Mass Transfer, AIChE Journal, vol. 10, no. 4, pp. 448-465.
    13. R. Taylor and R. Krishna (1993), Multicomponent Mass Transfer. New York: John Wiley & Sons.
    14. V. P. Zhdanov and B. Kasemo (2006), Kinetics of electrochemical O2 reduction on Pt, Electrochemistry Communications, vol. 8, pp. 1132-1136.
    15. W. Hauptmann, M. Votsmeier, H. Vogel, and D. G. Vlachos (2011), Modeling the simultaneous oxidation of CO and H2 on Pt – Pro-moting effect of H2 on the CO-light-off, Applied Catalysis A: Gen-eral , vol. 397, pp. 174-182.
    16. W. Benzinger, A. Wenka, and R. Dittmeyer (2011), Kinetic model-ling of the SO2-oxidation with Pt in a microstructured reactor, Ap-plied Catalysis A: General , vol. 397, pp. 209-217.
    17. H. N. Sharma et al. (2014), SOx Oxidation Kinetics on Pt(111) and Pd(111): First-Principles Computations Meet Microkinetic Model-ing, Journal of Physical Chemistry C, vol. 118, pp. 6934-6940.
    18. V. Gurau, H. Liu, and S. Kakac (1998), Two-Dimensional Model for Proton Exchange Membrane Fuel Cells, AIChE Journal, vol. 44, no. 11, pp. 2410-2422.
    19. S. Hasmady, K. Fushinobu, and K. Okazaki (2009), Treatment of Heterogeneous Electrocatalysis in Modeling Transport-Reaction Phenomena in PEFCs , Thermal Science & Engineering , vol. 17, no. 4, pp. 147-156.
    20. K. T. Jeng, S. F. Lee, G. F. Tsai, and C. H. Wang (2004), Oxygen mass transfer in PEM fuel cell gas diffusion layers, Journal of Pow-er Sources , vol. 138, pp. 41-50.
    21. J. Ihonen, M. Mikkola, and G. Lindbergh (2004), Flooding of Gas Diffusion Backing in PEFCs: Physical and Electrochemical Charac-terization, Journal of The Electrochemical Society, vol. 151, no. 8, pp. A1152-A1161.
    22. Y. A. Cengel and M. A. Boles (1998), Thermodynamics: An Engi-neering Approach. New York: McGraw-Hill.
    23. E. Yli-Rantala et al. (2012), Advanced Material Solutions for PEM Fuel Cells (Phase 2) – Final Report, VTT Technical Research Centre of Finland.
    24. Y-M. Sun et al. (1994), SO2 adsorption on Pt(111): HREELS, XPS and UPS study, Surface Science, vol. 319, pp. 34-44.

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  • How to Cite

    Hasmady, S., & Fushinobu, K. (2018). Numerical Investigation on Surface Coverage of Weakly-Adsorbed Molecular SO2 Contaminant in a PEM Fuel Cell Cathode. International Journal of Engineering and Technology, 7(4.35), 796-802. https://doi.org/10.14419/ijet.v7i4.35.23110