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

Pant, Lalit M.; Weber, Adam Z.

doi:10.1149/2.0111711jes

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

Journal Article · Fri Apr 14 00:00:00 EDT 2017 · Journal of the Electrochemical Society

DOI:https://doi.org/10.1149/2.0111711jes· OSTI ID:1379626

Pant, Lalit M. ^[1]; Weber, Adam Z. ^[1]

Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

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.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE), Sustainable Transportation Office. Hydrogen Fuel Cell Technologies Office

Grant/Contract Number:: AC02-05CH11231

OSTI ID:: 1379626

Journal Information:: Journal of the Electrochemical Society, Vol. 164, Issue 11; ISSN 0013-4651

Publisher:: The Electrochemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 13 works

Citation information provided by
Web of Science

References (19)

Effectiveness factors for general reaction rate forms Bischoff, Kenneth B. AIChE Journal, Vol. 11, Issue 2 https://doi.org/10.1002/aic.690110229	journal	March 1965
Improving the Accuracy of Predicting Effectiveness Factors for m th Order and Langmuir Rate Equations in Spherical Coordinates Hong, Jianhui; Hecker, William C.; Fletcher, Thomas H. Energy & Fuels, Vol. 14, Issue 3 https://doi.org/10.1021/ef9902193	journal	May 2000
An improved two-dimensional agglomerate cathode model to study the influence of catalyst layer structural parameters Sun, Wei; Peppley, Brant A.; Karan, Kunal Electrochimica Acta, Vol. 50, Issue 16-17 https://doi.org/10.1016/j.electacta.2004.12.009	journal	May 2005
Mass Transport in Gas-Diffusion Electrodes: A Diagnostic Tool for Fuel-Cell Cathodes Perry, Mike L. Journal of The Electrochemical Society, Vol. 145, Issue 1 https://doi.org/10.1149/1.1838202	journal	January 1998
Understanding the Effect of Kinetic and Mass Transport Processes in Cathode Agglomerates Moore, M.; Wardlaw, P.; Dobson, P. Journal of The Electrochemical Society, Vol. 161, Issue 8 https://doi.org/10.1149/2.010408jes	journal	January 2014
Single domain PEMFC model based on agglomerate catalyst geometry Siegel, N. P.; Ellis, M. W.; Nelson, D. J. Journal of Power Sources, Vol. 115, Issue 1 https://doi.org/10.1016/S0378-7753(02)00622-5	journal	March 2003
Sensitivity of PEFC Models to Cathode Layer Microstructure Jain, Parag; Biegler, Lorenz T.; Jhon, Myung S. Journal of The Electrochemical Society, Vol. 157, Issue 8 https://doi.org/10.1149/1.3454725	journal	January 2010
Temperature Dependence of the Electrode Kinetics of Oxygen Reduction at the Platinum/Nafion® Interface—A Microelectrode Investigation Parthasarathy, Arvind Journal of The Electrochemical Society, Vol. 139, Issue 9 https://doi.org/10.1149/1.2221258	journal	January 1992
On shape factors for irregular particles—I Aris, R. Chemical Engineering Science, Vol. 6, Issue 6 https://doi.org/10.1016/0009-2509(57)85028-3	journal	January 1957
The Mechanism of Operation of the Teflon-Bonded Gas Diffusion Electrode: A Mathematical Model Giner, J.; Hunter, C. Journal of The Electrochemical Society, Vol. 116, Issue 8 https://doi.org/10.1149/1.2412232	journal	January 1969
Determination of Catalyst Unique Parameters for the Oxygen Reduction Reaction in a PEMFC Neyerlin, K. C.; Gu, Wenbin; Jorne, Jacob Journal of The Electrochemical Society, Vol. 153, Issue 10 https://doi.org/10.1149/1.2266294	journal	January 2006
Multi-variable optimization of PEMFC cathodes using an agglomerate model Secanell, M.; Karan, K.; Suleman, A. Electrochimica Acta, Vol. 52, Issue 22 https://doi.org/10.1016/j.electacta.2007.04.028	journal	June 2007
A two-phase flow and non-isothermal agglomerate model for a proton exchange membrane (PEM) fuel cell Xing, Lei; Liu, Xiaoteng; Alaje, Taiwo Energy, Vol. 73 https://doi.org/10.1016/j.energy.2014.06.065	journal	August 2014
Modeling Low-Platinum-Loading Effects in Fuel-Cell Catalyst Layers Yoon, Wonseok; Weber, Adam Z. Journal of The Electrochemical Society, Vol. 158, Issue 8 https://doi.org/10.1149/1.3597644	journal	January 2011
Analysis of Inkjet Printed PEFC Electrodes with Varying Platinum Loading Shukla, S.; Stanier, D.; Saha, M. S. Journal of The Electrochemical Society, Vol. 163, Issue 7 https://doi.org/10.1149/2.1111607jes	journal	January 2016
Performance measurements and modelling of the ORR on fuel cell electrocatalysts – the modified double trap model Markiewicz, Matthew; Zalitis, Christopher; Kucernak, Anthony Electrochimica Acta, Vol. 179 https://doi.org/10.1016/j.electacta.2015.04.066	journal	October 2015
Understanding Impacts of Catalyst-Layer Thickness on Fuel-Cell Performance via Mathematical Modeling Zenyuk, Iryna V.; Das, Prodip K.; Weber, Adam Z. Journal of The Electrochemical Society, Vol. 163, Issue 7 https://doi.org/10.1149/2.1161607jes	journal	January 2016
Double-Trap Kinetic Equation for the Oxygen Reduction Reaction on Pt(111) in Acidic Media Wang, Jia X.; Zhang, Junliang; Adzic, Radoslav R. The Journal of Physical Chemistry A, Vol. 111, Issue 49, p. 12702-12710 https://doi.org/10.1021/jp076104e	journal	December 2007
Investigation of the ORR Using the Double-Trap Intrinsic Kinetic Model Moore, M.; Putz, A.; Secanell, M. Journal of The Electrochemical Society, Vol. 160, Issue 6 https://doi.org/10.1149/2.123306jes	journal	January 2013

Cited By (5)

Modeling Air Electrodes with Low Platinum Loading Darling, Robert Journal of The Electrochemical Society, Vol. 166, Issue 7 https://doi.org/10.1149/2.0101907jes	journal	January 2019
Through-the-Membrane Transient Phenomena in PEM Fuel Cells: A Modeling Study Goshtasbi, Alireza; García-Salaberri, Pablo; Chen, Jixin Journal of The Electrochemical Society, Vol. 166, Issue 7 https://doi.org/10.1149/2.0181907jes	journal	January 2019
The Butler-Volmer Equation for Polymer Electrolyte Membrane Fuel Cell (PEMFC) Electrode Kinetics: A Critical Discussion Dickinson, Edmund J. F.; Hinds, Gareth Journal of The Electrochemical Society, Vol. 166, Issue 4 https://doi.org/10.1149/2.0361904jes	journal	January 2019
A Comparison of Models for Transport Resistance in Fuel-Cell Catalyst Layers Darling, Robert Journal of The Electrochemical Society, Vol. 165, Issue 16 https://doi.org/10.1149/2.0881816jes	journal	January 2018
A Hierarchical Model for Oxygen Transport in Agglomerates in the Cathode Catalyst Layer of a Polymer-Electrolyte Fuel Cell Darling, Robert M. Journal of The Electrochemical Society, Vol. 165, Issue 9 https://doi.org/10.1149/2.1231807jes	journal	January 2018

Similar Records

Application of the flooded-agglomerate model to study oxygen reduction on thin porous coating rotating disk electrode

Journal Article · Tue Feb 01 00:00:00 EST 1994 · Journal of the Electrochemical Society; (United States) · OSTI ID:1379626

Perez, J; Tanaka, A A; Gonzalez, E R; +1 more

Agglomerates in Polymer Electrolyte Fuel Cell Electrodes: Part II. Transport Characterization

Journal Article · Mon Jan 01 00:00:00 EST 2018 · Journal of the Electrochemical Society · OSTI ID:1379626

Cetinbas, Firat C.; Ahluwalia, Rajesh K.

Double layer charging driven carbon dioxide adsorption limits the rate of electrochemical carbon dioxide reduction on Gold

Journal Article · Tue Jan 07 00:00:00 EST 2020 · Nature Communications · OSTI ID:1379626

Ringe, Stefan; Morales-Guio, Carlos G.; Chen, Leanne D.; +4 more

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
36 MATERIALS SCIENCE
agglomerate
cathode
double trap kinetics
modeling
oxygen reduction reaction

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

Citation Formats

References (19)

Cited By (5)

Similar Records

Related Subjects