Pore-Scale Investigation of Coupled Two-Phase and Reactive Transport in the Cathode Electrode of Proton Exchange Membrane Fuel Cells

Abstract

A three-dimensional multicomponent multiphase lattice Boltzmann model (LBM) is established to model the coupled two-phase and reactive transport phenomena in the cathode electrode of proton exchange membrane fuel cells. The gas diffusion layer (GDL) and microporous layer (MPL) are stochastically reconstructed with the inside dynamic distribution of oxygen and liquid water resolved, and the catalyst layer is simplified as a superthin layer to address the electrochemical reaction, which provides a clear description of the flooding effect on mass transport and performance. Different kinds of electrodes are reconstructed to determine the optimum porosity and structure design of the GDL and MPL by comparing the transport resistance and performance under the flooding condition. The simulation results show that gradient porosity GDL helps to increase the reactive area and average concentration under flooding. The presence of the MPL ensures the oxygen transport space and reaction area because liquid water cannot transport through micropores. Moreover, the MPL helps in the uniform distribution of oxygen for an efficient in-plane transport capacity. Crack and perforation structures can accelerate the water transport in the assembly. The systematic perforation design yields the best performance under flooding by separating the transport of liquid water and oxygen.

Keywords

Proton exchange membrane fuel cell / Lattice Boltzmann model / Electrode / Water management / Two-phase flow / Reactive transport

References

[1] He W, Abbas Q, Alharthi M, et al. Integration of renewable hydrogen in light-duty vehicle: nexus between energy security and low carbon emission resources. Int J Hydrog Energy, 2020, 45(51): 27958-27968.

[2] Fei G, Blunier B, Miraoui A, et al. A multiphysic dynamic 1-D model of a proton-exchange-membrane fuel-cell stack for real-time simulation. IEEE Trans Ind Electron, 2010, 57(6): 1853-1864.

[3] Gong JL Transactions of Tianjin university: join us to step up to the next generation of sustainable energy. Trans Tianjin Univ, 2020, 26(1): 1-2.

[4] Barbir F PEM fuel cells, 2013 2 Boston, USA Academic Press

[5] Jiao K, Li XG Water transport in polymer electrolyte membrane fuel cells. Prog Energy Combust Sci, 2011, 37(3): 221-291.

[6] Gu X, Hou ZJ, Cai J Data-based flooding fault diagnosis of proton exchange membrane fuel cell systems using LSTM networks. Energy AI, 2021, 4: 100056.

[7] Wang ZQ, Zeng YC, Sun SC, et al. Improvement of PEMFC water management by employing water transport plate as bipolar plate. Int J Hydrog Energy, 2017, 42(34): 21922-21929.

[8] Jiao K, Wang BW, Du Q et al (2021) Stack-level modeling of proton exchange membrane fuel cells. In: Jiao K, Wang BW, Du Q et al. Water and thermal management of proton exchange membrane fuel cells. Elsevier, Amsterdam, NLD: 237–263

[9] Deevanhxay P, Sasabe T, Tsushima S, et al. Observation of dynamic liquid water transport in the microporous layer and gas diffusion layer of an operating PEM fuel cell by high-resolution soft X-ray radiography. J Power Sources, 2013, 230: 38-43.

[10] Flückiger R, Marone F, Stampanoni M, et al. Investigation of liquid water in gas diffusion layers of polymer electrolyte fuel cells using X-ray tomographic microscopy. Electrochim Acta, 2011, 56(5): 2254-2262.

[11] Alrwashdeh SS, Manke I, Markötter H, et al. Neutron radiographic in operando investigation of water transport in polymer electrolyte membrane fuel cells with channel barriers. Energy Convers Manag, 2017, 148: 604-610.

[12] Minard KR, Viswanathan VV, Majors PD, et al. Magnetic resonance imaging (MRI) of PEM dehydration and gas manifold flooding during continuous fuel cell operation. J Power Sources, 2006, 161(2): 856-863.

[13] Ko D, Doh S, Park HS, et al. The effect of through plane pore gradient GDL on the water distribution of PEMFC. Int J Hydrog Energy, 2018, 43(4): 2369-2380.

[14] Lee J, Hinebaugh J, Bazylak A Synchrotron X-ray radiographic investigations of liquid water transport behavior in a PEMFC with MPL-coated GDLs. J Power Sources, 2013, 227: 123-130.

[15] Markötter H, Manke I, Krüger P, et al. Investigation of 3D water transport paths in gas diffusion layers by combined in situ synchrotron X-ray radiography and tomography. Electrochem Commun, 2011, 13(9): 1001-1004.

[16] Gerteisen D, Heilmann T, Ziegler C Enhancing liquid water transport by laser perforation of a GDL in a PEM fuel cell. J Power Sources, 2008, 177(2): 348-354.

[17] Jiao DK, Jiao K, Du Q Two-phase flow in porous electrodes of proton exchange membrane fuel cell. Trans Tianjin Univ, 2020, 26(3): 197-207.

[18] Chen RX, Qin YZ, Ma SH, et al. Numerical simulation of liquid water emerging and transport in the flow channel of PEMFC using the volume of fluid method. Int J Hydrog Energy, 2020, 45(54): 29861-29873.

[19] Cetinbas FC, Ahluwalia RK, Shum AD, et al. Direct simulations of pore-scale water transport through diffusion media. J Electrochem Soc, 2019, 166(7): F3001-F3008.

[20] Molaeimanesh GR, SaeidiGoogarchin H, QasemianMoqaddam A Lattice Boltzmann simulation of proton exchange membrane fuel cells—a review on opportunities and challenges. Int J Hydrog Energy, 2016, 41(47): 22221-22245.

[21] Niu ZQ, Wu JT, Bao ZM, et al. Two-phase flow and oxygen transport in the perforated gas diffusion layer of proton exchange membrane fuel cell. Int J Heat Mass Transf, 2019, 139: 58-68.

[22] Shangguan X, Li Y, Qin YZ, et al. Effect of the porosity distribution on the liquid water transport in the gas diffusion layer of PEMFC. Electrochim Acta, 2021, 371: 137814.

[23] Li Q, Luo KH, Kang QJ, et al. Lattice Boltzmann methods for multiphase flow and phase-change heat transfer. Prog Energy Combust Sci, 2016, 52: 62-105.

[24] Hinebaugh J, Bazylak A Condensation in PEM fuel cell gas diffusion layers: a pore network modeling approach. J Electrochem Soc, 2010, 157(10): B1382.

[25] Mukherjee PP, Kang QJ, Wang CY Pore-scale modeling of two-phase transport in polymer electrolyte fuel cells—progress and perspective. Energy Environ Sci, 2011, 4(2): 346-369.

[26] Krüger T, Kusumaatmaja H, Kuzmin A, et al. Numerical methods for fluids. Krüger T, Kusumaatmaja H, 2017 Cham, CHE Kuzmin A et al. The lattice boltzmann method. Springer International Publishing 31-56.

[27] Chen TQ, Zhang QH, Cheng L Performance investigation of 2D lattice Boltzmann simulation of forces on a circular cylinder. Trans Tianjin Univ, 2010, 16(6): 417-423.

[28] Kim KN, Kang JH, Lee SG, et al. Lattice Boltzmann simulation of liquid water transport in microporous and gas diffusion layers of polymer electrolyte membrane fuel cells. J Power Sources, 2015, 278: 703-717.

[29] Hou YZ, Deng H, Zamel N, et al. 3D lattice Boltzmann modeling of droplet motion in PEM fuel cell channel with realistic GDL microstructure and fluid properties. Int J Hydrog Energy, 2020, 45(22): 12476-12488.

[30] Deng H, Hou YZ, Jiao K Lattice Boltzmann simulation of liquid water transport inside and at interface of gas diffusion and micro-porous layers of PEM fuel cells. Int J Heat Mass Transf, 2019, 140: 1074-1090.

[31] Zhang D, Cai Q, Gu S Three-dimensional Lattice-Boltzmann model for liquid water transport and oxygen diffusion in cathode of polymer electrolyte membrane fuel cell with electrochemical reaction. Electrochim Acta, 2018, 262: 282-296.

[32] Ince UU, Markötter H, George MG, et al. Effects of compression on water distribution in gas diffusion layer materials of PEMFC in a point injection device by means of synchrotron X-ray imaging. Int J Hydrog Energy, 2018, 43(1): 391-406.

[33] Hodnik N, Zorko M, Jozinović B, et al. Severe accelerated degradation of PEMFC platinum catalyst: a thin film IL-SEM study. Electrochem Commun, 2013, 30: 75-78.

[34] Hou YZ, Li X, Du Q, et al. Pore-scale investigation of the effect of micro-porous layer on water transport in proton exchange membrane fuel cell. J Electrochem Soc, 2020, 167(14): 144504.

[35] Wang H, Yang GG, Li SA, et al. Numerical study on permeability of gas diffusion layer with porosity gradient using lattice Boltzmann method. Int J Hydrog Energy, 2021, 46(42): 22107-22121.

[36] Mu YT, Weber AZ, Gu ZL, et al. Mesoscopic modeling of transport resistances in a polymer-electrolyte fuel-cell catalyst layer: analysis of hydrogen limiting currents. Appl Energy, 2019, 255: 113895.

[37] Molaeimanesh GR, Akbari MH A three-dimensional pore-scale model of the cathode electrode in polymer-electrolyte membrane fuel cell by lattice Boltzmann method. J Power Sources, 2014, 258: 89-97.

[38] Wang Y, Chen KS, Mishler J, et al. A review of polymer electrolyte membrane fuel cells: technology, applications, and needs on fundamental research. Appl Energy, 2011, 88(4): 981-1007.

[39] Kamali MR, Sundaresan S, van den Akker HEA, et al. A multi-component two-phase lattice Boltzmann method applied to a 1-D Fischer-Tropsch reactor. Chem Eng J, 2012, 207–208: 587-595.

[40] Peng C, Teng YH, Hwang B, et al. Implementation issues and benchmarking of lattice Boltzmann method for moving rigid particle simulations in a viscous flow. Comput Math Appl, 2016, 72(2): 349-374.

[41] Mukherjee PP, Wang CY, Kang QJ Mesoscopic modeling of two-phase behavior and flooding phenomena in polymer electrolyte fuel cells. Electrochim Acta, 2009, 54(27): 6861-6875.

[42] Zou QS, He XY On pressure and velocity boundary conditions for the lattice Boltzmann BGK model. Phys Fluids, 1997, 9(6): 1591-1598.

[43] Chun JH, Jo DH, Kim SG, et al. Improvement of the mechanical durability of micro porous layer in a proton exchange membrane fuel cell by elimination of surface cracks. Renew Energy, 2012, 48: 35-41.

[44] Hizir FE, Ural SO, Kumbur EC, et al. Characterization of interfacial morphology in polymer electrolyte fuel cells: micro-porous layer and catalyst layer surfaces. J Power Sources, 2010, 195(11): 3463-3471.