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Simulation of the Oxygen Reduction Reaction (ORR) Inside the Cathode Catalyst Layer (CCL) of Proton Exchange Membrane Fuel Cells Using the Kinetic Monte Carlo Method

Author

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  • Baosheng Bai

    (Department of Mechanical Engineering, University of Nevada, Las Vegas, NV 89154, USA)

  • Yi-Tung Chen

    (Department of Mechanical Engineering, University of Nevada, Las Vegas, NV 89154, USA)

Abstract

In this paper, a numerical model of the kinetic Monte Carlo (KMC) method has been developed to study the oxygen reduction reaction (ORR) that occurs inside the cathode catalyst layer (CCL). Firstly, a 3-D model of the CCL that consists of Pt and carbon spheres is built using the sphere packing method; secondly, an efficient procedure of the proton-oxygen reaction process is developed and simulated. In the proton-oxygen reaction process, all of the continuous movements of protons and oxygen are considered. The maximum reaction distance is determined to be 8 Å. The input pressures of protons and oxygen are represented by the number of spheres of the species. The value of the current density is calculated based on the amount of reaction during the interval time. Indications are that the results of the present model match reasonably well with the published results. A new way to apply the KMC method in the proton exchange membrane fuel cell (PEMFC) research field is developed in this paper.

Suggested Citation

  • Baosheng Bai & Yi-Tung Chen, 2018. "Simulation of the Oxygen Reduction Reaction (ORR) Inside the Cathode Catalyst Layer (CCL) of Proton Exchange Membrane Fuel Cells Using the Kinetic Monte Carlo Method," Energies, MDPI, vol. 11(10), pages 1-18, September.
    • Handle: RePEc:gam:jeners:v:11:y:2018:i:10:p:2529-:d:171449
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    References listed on IDEAS

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    1. Mengbo Ji & Zidong Wei, 2009. "A Review of Water Management in Polymer Electrolyte Membrane Fuel Cells," Energies, MDPI, vol. 2(4), pages 1-50, November.
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    Cited by:

    1. Mohammed Yousri Silaa & Mohamed Derbeli & Oscar Barambones & Ali Cheknane, 2020. "Design and Implementation of High Order Sliding Mode Control for PEMFC Power System," Energies, MDPI, vol. 13(17), pages 1-15, August.
    2. Mohamed Derbeli & Oscar Barambones & Jose Antonio Ramos-Hernanz & Lassaad Sbita, 2019. "Real-Time Implementation of a Super Twisting Algorithm for PEM Fuel Cell Power System," Energies, MDPI, vol. 12(9), pages 1-20, April.

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