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Title: Communication — Modeling polymer-electrolyte fuel-cell agglomerates with double-trap kinetics

A new semi-analytical agglomerate model is presented for polymer-electrolyte fuel-cell cathodes. The model uses double-trap kinetics for the oxygen-reduction reaction, which can capture the observed potential-dependent coverage and Tafel-slope changes. An iterative semi-analytical approach is used to obtain reaction rate constants from the double-trap kinetics, oxygen concentration at the agglomerate surface, and overall agglomerate reaction rate. The analytical method can predict reaction rates within 2% of the numerically simulated values for a wide range of oxygen concentrations, overpotentials, and agglomerate sizes, while saving simulation time compared to a fully numerical approach.
Authors:
 [1] ;  [1]
  1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Publication Date:
Grant/Contract Number:
AC02-05CH11231
Type:
Accepted Manuscript
Journal Name:
Journal of the Electrochemical Society
Additional Journal Information:
Journal Volume: 164; Journal Issue: 11; Journal ID: ISSN 0013-4651
Publisher:
The Electrochemical Society
Research Org:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org:
USDOE Office of Energy Efficiency and Renewable Energy (EERE), Fuel Cell Technologies Office (EE-3F)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 36 MATERIALS SCIENCE; agglomerate; cathode; double trap kinetics; modeling; oxygen reduction reaction
OSTI Identifier:
1379626

Pant, Lalit M., and Weber, Adam Z.. Communication — Modeling polymer-electrolyte fuel-cell agglomerates with double-trap kinetics. United States: N. p., Web. doi:10.1149/2.0111711jes.
Pant, Lalit M., & Weber, Adam Z.. Communication — Modeling polymer-electrolyte fuel-cell agglomerates with double-trap kinetics. United States. doi:10.1149/2.0111711jes.
Pant, Lalit M., and Weber, Adam Z.. 2017. "Communication — Modeling polymer-electrolyte fuel-cell agglomerates with double-trap kinetics". United States. doi:10.1149/2.0111711jes. https://www.osti.gov/servlets/purl/1379626.
@article{osti_1379626,
title = {Communication — Modeling polymer-electrolyte fuel-cell agglomerates with double-trap kinetics},
author = {Pant, Lalit M. and Weber, Adam Z.},
abstractNote = {A new semi-analytical agglomerate model is presented for polymer-electrolyte fuel-cell cathodes. The model uses double-trap kinetics for the oxygen-reduction reaction, which can capture the observed potential-dependent coverage and Tafel-slope changes. An iterative semi-analytical approach is used to obtain reaction rate constants from the double-trap kinetics, oxygen concentration at the agglomerate surface, and overall agglomerate reaction rate. The analytical method can predict reaction rates within 2% of the numerically simulated values for a wide range of oxygen concentrations, overpotentials, and agglomerate sizes, while saving simulation time compared to a fully numerical approach.},
doi = {10.1149/2.0111711jes},
journal = {Journal of the Electrochemical Society},
number = 11,
volume = 164,
place = {United States},
year = {2017},
month = {4}
}