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Title: Multiscale modeling of single-phase multicomponent transport in the cathode gas diffusion layer of a polymer electrolyte fuel cell
Authors: Rama, Pratap
Liu, Yu
Chen, Rui
Ostadi, Hossein
Jiang, Kyle
Gao, Yuan
Zhang, Xiaoxian
Fisher, Rosemary
Jeschke, Michael
Issue Date: 2010
Publisher: © American Chemical Society
Citation: RAMA, P. ... et al, 2010. Multiscale modeling of single-phase multicomponent transport in the cathode gas diffusion layer of a polymer electrolyte fuel cell. Energy and Fuels, 24 (5), pp. 3130 - 3143.
Abstract: 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.
Description: This document is the Accepted Manuscript version of a Published Work that appeared in final form in Energy and Fuels, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see: http://dx.doi.org/10.1021/ef100190c
Sponsor: This research was supported by the UK Technology Strategy Board (TSB Project No. TP/6/S/K3032H). We acknowledge industrial partners AVL List GmbH, Intelligent Energy Ltd., Johnson Matthey Fuel Cells Ltd., Saati Group Inc., and Technical Fibre Products Ltd. for their support of this work.
Version: Accepted for publication
DOI: 10.1021/ef100190c
URI: https://dspace.lboro.ac.uk/2134/18545
Publisher Link: http://dx.doi.org/10.1021/ef100190c
ISSN: 0887-0624
Appears in Collections:Published Articles (Aeronautical and Automotive Engineering)

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