IDEAS home Printed from https://ideas.repec.org/a/eee/appene/v175y2016icp435-450.html
   My bibliography  Save this article

3D multi-physics modeling of a gas diffusion electrode for oxygen reduction reaction for electrochemical energy conversion in PEM fuel cells

Author

Listed:
  • Vasile, Nicolò S.
  • Doherty, Ronan
  • Monteverde Videla, Alessandro H.A.
  • Specchia, Stefania

Abstract

A 3D multi-physics, multi-component and not isothermal model is developed to analyze the effects of catalyst structures on the performance of a gas diffusion electrode (GDE) cell toward the oxygen reduction reaction using dry oxygen as a reactant. The model includes Stokes–Brinkman, Maxwell–Stefan, and modified Butler–Volmer equations for simulating the performance of the GDE cell, solved by Comsol® Multiphysics v4.4a platform. The model is validated against experimental data, showing congruent and convergent responses for different electrodes based on noble and non-noble metals catalysts, confirming the accuracy of the model and the equations applied. The use of a 3D model incorporating porous materials can be used for evaluating mass transport and diffusivity parameters of the electrocatalyst, identifying the controlling variable in the process. The model can be used as an optimization tool for further improvement of catalyst synthesis, suggesting which properties can be tuned to improve the overall performance in the catalyst design phase.

Suggested Citation

  • Vasile, Nicolò S. & Doherty, Ronan & Monteverde Videla, Alessandro H.A. & Specchia, Stefania, 2016. "3D multi-physics modeling of a gas diffusion electrode for oxygen reduction reaction for electrochemical energy conversion in PEM fuel cells," Applied Energy, Elsevier, vol. 175(C), pages 435-450.
    • Handle: RePEc:eee:appene:v:175:y:2016:i:c:p:435-450
    DOI: 10.1016/j.apenergy.2016.04.030
    as

    Download full text from publisher

    File URL: http://www.sciencedirect.com/science/article/pii/S0306261916304810
    Download Restriction: Full text for ScienceDirect subscribers only
    File URL: https://libkey.io/10.1016/j.apenergy.2016.04.030?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    As the access to this document is restricted, you may want to search for a different version of it.

    References listed on IDEAS

    as
    1. Wu, Horng-Wen, 2016. "A review of recent development: Transport and performance modeling of PEM fuel cells," Applied Energy, Elsevier, vol. 165(C), pages 81-106.
    2. Wu, Horng-Wen & Ku, Hui-Wen, 2011. "The optimal parameters estimation for rectangular cylinders installed transversely in the flow channel of PEMFC from a three-dimensional PEMFC model and the Taguchi method," Applied Energy, Elsevier, vol. 88(12), pages 4879-4890.
    3. Ismail, M.S. & Hughes, K.J. & Ingham, D.B. & Ma, L. & Pourkashanian, M., 2012. "Effects of anisotropic permeability and electrical conductivity of gas diffusion layers on the performance of proton exchange membrane fuel cells," Applied Energy, Elsevier, vol. 95(C), pages 50-63.
    4. Wang, Yun & Chen, Ken S. & Mishler, Jeffrey & Cho, Sung Chan & Adroher, Xavier Cordobes, 2011. "A review of polymer electrolyte membrane fuel cells: Technology, applications, and needs on fundamental research," Applied Energy, Elsevier, vol. 88(4), pages 981-1007, April.
    5. Ismail, M.S. & Ingham, D.B. & Hughes, K.J. & Ma, L. & Pourkashanian, M., 2013. "Thermal modelling of the cathode in air-breathing PEM fuel cells," Applied Energy, Elsevier, vol. 111(C), pages 529-537.
    6. Xue, Yan Qing & Guo, Hang & Shang, Hui Hui & Ye, Fang & Ma, Chong Fang, 2015. "Simulation of mass transfer in a passive direct methanol fuel cell cathode with perforated current collector," Energy, Elsevier, vol. 81(C), pages 501-510.
    7. Yuan, Wei & Tang, Yong & Yang, Xiaojun & Wan, Zhenping, 2012. "Porous metal materials for polymer electrolyte membrane fuel cells – A review," Applied Energy, Elsevier, vol. 94(C), pages 309-329.
    8. Wu, Hao & Berg, Peter & Li, Xianguo, 2010. "Steady and unsteady 3D non-isothermal modeling of PEM fuel cells with the effect of non-equilibrium phase transfer," Applied Energy, Elsevier, vol. 87(9), pages 2778-2784, September.
    9. Das, Prodip K. & Li, Xianguo & Liu, Zhong-Sheng, 2010. "Effective transport coefficients in PEM fuel cell catalyst and gas diffusion layers: Beyond Bruggeman approximation," Applied Energy, Elsevier, vol. 87(9), pages 2785-2796, September.
    10. Perng, Shiang-Wuu & Wu, Horng-Wen, 2010. "Effect of the prominent catalyst layer surface on reactant gas transport and cell performance at the cathodic side of a PEMFC," Applied Energy, Elsevier, vol. 87(4), pages 1386-1399, April.
    11. Flick, Sarah & Schwager, Maximilian & McCarthy, Edward & Mérida, Walter, 2014. "Designed experiments to characterize PEMFC material properties and performance," Applied Energy, Elsevier, vol. 129(C), pages 135-146.
    Full references (including those not matched with items on IDEAS)

    Citations

    Citations are extracted by the CitEc Project, subscribe to its RSS feed for this item.
    as


    Cited by:

    1. Gomes, R.S. & De Bortoli, A.L., 2016. "A three-dimensional mathematical model for the anode of a direct ethanol fuel cell," Applied Energy, Elsevier, vol. 183(C), pages 1292-1301.
    2. Zhao, Jian & Li, Xianguo & Shum, Chris & McPhee, John, 2023. "Control-oriented computational fuel cell dynamics modeling – Model order reduction vs. computational speed," Energy, Elsevier, vol. 266(C).
    3. Zhong, Kengqiang & Li, Meng & Yang, Yue & Zhang, Hongguo & Zhang, Bopeng & Tang, Jinfeng & Yan, Jia & Su, Minhua & Yang, Zhiquan, 2019. "Nitrogen-doped biochar derived from watermelon rind as oxygen reduction catalyst in air cathode microbial fuel cells," Applied Energy, Elsevier, vol. 242(C), pages 516-525.
    4. Wu, Horng-Wen & Shih, Gin-Jang & Chen, Yi-Bin, 2018. "Effect of operational parameters on transport and performance of a PEM fuel cell with the best protrusive gas diffusion layer arrangement," Applied Energy, Elsevier, vol. 220(C), pages 47-58.
    5. Nandan, Ravi & Goswami, Gopal Krishna & Nanda, Karuna Kar, 2017. "Direct synthesis of Pt-free catalyst on gas diffusion layer of fuel cell and usage of high boiling point fuels for efficient utilization of waste heat," Applied Energy, Elsevier, vol. 205(C), pages 1050-1058.
    6. Zhao, Jian & Shahgaldi, Samaneh & Alaefour, Ibrahim & Xu, Qian & Li, Xianguo, 2018. "Gas permeability of catalyzed electrodes in polymer electrolyte membrane fuel cells," Applied Energy, Elsevier, vol. 209(C), pages 203-210.

    Most related items

    These are the items that most often cite the same works as this one and are cited by the same works as this one.
    1. Wu, Horng-Wen, 2016. "A review of recent development: Transport and performance modeling of PEM fuel cells," Applied Energy, Elsevier, vol. 165(C), pages 81-106.
    2. Zhao, Jian & Shahgaldi, Samaneh & Alaefour, Ibrahim & Xu, Qian & Li, Xianguo, 2018. "Gas permeability of catalyzed electrodes in polymer electrolyte membrane fuel cells," Applied Energy, Elsevier, vol. 209(C), pages 203-210.
    3. Wang, Qianqian & Tang, Fumin & Li, Bing & Dai, Haifeng & Zheng, Jim P. & Zhang, Cunman & Ming, Pingwen, 2022. "Investigation of the thermal responses under gas channel and land inside proton exchange membrane fuel cell with assembly pressure," Applied Energy, Elsevier, vol. 308(C).
    4. Baricci, Andrea & Mereu, Riccardo & Messaggi, Mirko & Zago, Matteo & Inzoli, Fabio & Casalegno, Andrea, 2017. "Application of computational fluid dynamics to the analysis of geometrical features in PEM fuel cells flow fields with the aid of impedance spectroscopy," Applied Energy, Elsevier, vol. 205(C), pages 670-682.
    5. Xing, Lei & Das, Prodip K. & Song, Xueguan & Mamlouk, Mohamed & Scott, Keith, 2015. "Numerical analysis of the optimum membrane/ionomer water content of PEMFCs: The interaction of Nafion® ionomer content and cathode relative humidity," Applied Energy, Elsevier, vol. 138(C), pages 242-257.
    6. Wu, Horng-Wen & Shih, Gin-Jang & Chen, Yi-Bin, 2018. "Effect of operational parameters on transport and performance of a PEM fuel cell with the best protrusive gas diffusion layer arrangement," Applied Energy, Elsevier, vol. 220(C), pages 47-58.
    7. Mo, Jingke & Kang, Zhenye & Yang, Gaoqiang & Retterer, Scott T. & Cullen, David A. & Toops, Todd J. & Green, Johney B. & Zhang, Feng-Yuan, 2016. "Thin liquid/gas diffusion layers for high-efficiency hydrogen production from water splitting," Applied Energy, Elsevier, vol. 177(C), pages 817-822.
    8. Hou, Yuze & Deng, Hao & Pan, Fengwen & Chen, Wenmiao & Du, Qing & Jiao, Kui, 2019. "Pore-scale investigation of catalyst layer ingredient and structure effect in proton exchange membrane fuel cell," Applied Energy, Elsevier, vol. 253(C), pages 1-1.
    9. Huo, Sen & Cooper, Nathanial James & Smith, Travis Lee & Park, Jae Wan & Jiao, Kui, 2017. "Experimental investigation on PEM fuel cell cold start behavior containing porous metal foam as cathode flow distributor," Applied Energy, Elsevier, vol. 203(C), pages 101-114.
    10. Ismail, M.S. & Hughes, K.J. & Ingham, D.B. & Ma, L. & Pourkashanian, M., 2012. "Effects of anisotropic permeability and electrical conductivity of gas diffusion layers on the performance of proton exchange membrane fuel cells," Applied Energy, Elsevier, vol. 95(C), pages 50-63.
    11. Perng, Shiang-Wuu & Horng, Rong-Fang & Ku, Hui-Wen, 2013. "Effects of reaction chamber geometry on the performance and heat/mass transport phenomenon for a cylindrical methanol steam reformer," Applied Energy, Elsevier, vol. 103(C), pages 317-327.
    12. Wan, Zhongmin & Liu, Jing & Luo, Zhiping & Tu, Zhengkai & Liu, Zhichun & Liu, Wei, 2013. "Evaluation of self-water-removal in a dead-ended proton exchange membrane fuel cell," Applied Energy, Elsevier, vol. 104(C), pages 751-757.
    13. Calili-Cankir, Fatma & Ismail, Mohammed S. & Ingham, Derek B. & Hughes, Kevin J. & Ma, Lin & Pourkashanian, Mohamed, 2023. "Air-breathing polymer electrolyte fuel cells: A review," Renewable Energy, Elsevier, vol. 213(C), pages 86-108.
    14. Zhang, Heng & Xiao, Liusheng & Chuang, Po-Ya Abel & Djilali, Ned & Sui, Pang-Chieh, 2019. "Coupled stress–strain and transport in proton exchange membrane fuel cell with metallic bipolar plates," Applied Energy, Elsevier, vol. 251(C), pages 1-1.
    15. Xing, Lei & Liu, Xiaoteng & Alaje, Taiwo & Kumar, Ravi & Mamlouk, Mohamed & Scott, Keith, 2014. "A two-phase flow and non-isothermal agglomerate model for a proton exchange membrane (PEM) fuel cell," Energy, Elsevier, vol. 73(C), pages 618-634.
    16. Lin, Chien-Hung, 2013. "Surface roughness effect on the metallic bipolar plates of a proton exchange membrane fuel cell," Applied Energy, Elsevier, vol. 104(C), pages 898-904.
    17. Liao, Shuxin & Qiu, Diankai & Yi, Peiyun & Peng, Linfa & Lai, Xinmin, 2022. "Modeling of a novel cathode flow field design with optimized sub-channels to improve drainage for proton exchange membrane fuel cells," Energy, Elsevier, vol. 261(PB).
    18. Bae, Suk Joo & Kim, Seong-Joon & Lee, Jin-Hwa & Song, Inseob & Kim, Nam-In & Seo, Yongho & Kim, Ki Buem & Lee, Naesung & Park, Jun-Young, 2014. "Degradation pattern prediction of a polymer electrolyte membrane fuel cell stack with series reliability structure via durability data of single cells," Applied Energy, Elsevier, vol. 131(C), pages 48-55.
    19. Chen, Daifen & Zeng, Qice & Su, Shichuan & Bi, Wuxi & Ren, Zhiqiang, 2013. "Geometric optimization of a 10-cell modular planar solid oxide fuel cell stack manifold," Applied Energy, Elsevier, vol. 112(C), pages 1100-1107.
    20. Bao, Zhiming & Niu, Zhiqiang & Jiao, Kui, 2020. "Gas distribution and droplet removal of metal foam flow field for proton exchange membrane fuel cells," Applied Energy, Elsevier, vol. 280(C).

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:eee:appene:v:175:y:2016:i:c:p:435-450. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    If CitEc recognized a bibliographic reference but did not link an item in RePEc to it, you can help with this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Catherine Liu (email available below). General contact details of provider: http://www.elsevier.com/wps/find/journaldescription.cws_home/405891/description#description .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.