Multiscale Modeling of Single-Phase Multicomponent Transport in the Cathode Gas Diffusion Layer of a Polymer Electrolyte Fuel Cell

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• 作者：Pratap Rama ; Yu Liu ; Rui Chen ; Hossein Ostadi ; Kyle Jiang ; Yuan Gao ; Xiaoxian Zhang ; Rosemary Fisher ; Michael Jeschke
• 刊名：Energy & Fuels
• 出版年：2010
• 出版时间：May 20, 2010
• 年：2010
• 卷：24
• 期：5
• 页码：3130-3143
• 全文大小：1271K
• 年卷期：v.24,no.5(May 20, 2010)
• ISSN：1520-5029

文摘

This research reports a feasibility study into multiscale polymer electrolyte fuel cell (PEFC) modeling through the simulation of macroscopic flow in the multilayered cell via one-dimensional (1D) electrochemical modeling, and the simulation of microscopic flow in the cathode gas diffusion layer (GDL) via three-dimensional (3D) single-phase multicomponent lattice Boltzmann (SPMC-LB) modeling. The heterogeneous porous geometry of the carbon-paper GDL is digitally reconstructed for the SPMC-LB model using X-ray computer microtomography. Boundary conditions at the channel and catalyst layer interfaces for the SPMC-LB simulations such as specie partial pressures and through-plane flowrates are determined using the validated 1D electrochemical model, which is based on the general transport equation (GTE) and volume-averaged structural properties of the GDL. The calculated pressure profiles from the two models are cross-validated to verify the SPMC-LB technique. The simulations reveal a maximum difference of 2.4% between the thickness-averaged pressures calculated by the two techniques, which is attributable to the actual heterogeneity of the porous GDL structure.