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Title: Mathematical modeling of novel porous transport layer architectures for proton exchange membrane electrolysis cells

Abstract

Thin foil based porous transport layers (PTLs) that contain highly structured pore arrays have shown promise as anode PTLs in proton exchange membrane electrolysis cells. These novel PTLs, fabricated with advanced manufacturing techniques, produce thin, tunable, multifunctional layers with reduced flow and interfacial resistances and high thermal and electric conductivities. To further optimize their design, it is important to understand their fundamental impact on the transport of protons, electrons, and liquid/vapor mixtures in the electrode. In this work, we develop a two-dimensional multiphysics model to simulate the coupled electrochemistry and multiphase transport in an electrolysis cell operated with the novel PTL architecture. The results show that larger pores improve access of water to the anode catalyst layer, which is beneficial for both the oxygen evolution reaction and membrane hydration. Larger pore sizes also improve oxygen gas transport from the catalyst layer, because generated oxygen gas is forced to travel in-plane through the anode catalyst layer until it reaches a pore opening that is connected to a channel. The discussed results confirm that the proposed thin foil based PTLs are fundamentally different from conventional PTLs, such as felts or layered meshes. The model developed in this work also provides generalizable insightmore » into fundamental PEMEC phenomena, such as the competition between liquid and gas phase transport, membrane hydration and water management, and nonuniform electrochemical reactions, which are processes relevant to all PEMEC designs.« less

Authors:
ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1];  [2]; ORCiD logo [1]; ORCiD logo [1]
  1. National Renewable Energy Lab. (NREL), Golden, CO (United States)
  2. Univ. of Tennessee Space Inst. (UTSI), Tullahoma, TN (United States)
Publication Date:
Research Org.:
National Renewable Energy Lab. (NREL), Golden, CO (United States)
Sponsoring Org.:
USDOE Office of Energy Efficiency and Renewable Energy (EERE)
OSTI Identifier:
1805196
Alternate Identifier(s):
OSTI ID: 1806339
Report Number(s):
NREL/JA-5700-77128
Journal ID: ISSN 0360-3199; MainId:26074;UUID:2728801f-b5ce-4132-aa68-c88721430e32;MainAdminID:25709
Grant/Contract Number:  
AC36-08GO28308
Resource Type:
Accepted Manuscript
Journal Name:
International Journal of Hydrogen Energy
Additional Journal Information:
Journal Volume: 46; Journal Issue: 50; Journal ID: ISSN 0360-3199
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; electrochemical; electrochemical modeling; electrolysis; H2New; hydrogen; multiphase transport; porous transport layer

Citation Formats

Wrubel, Jacob A., Kang, Zhenye, Witteman, Liam, Zhang, Feng-Yuan, Ma, Zhiwen, and Bender, Guido. Mathematical modeling of novel porous transport layer architectures for proton exchange membrane electrolysis cells. United States: N. p., 2021. Web. doi:10.1016/j.ijhydene.2021.05.070.
Wrubel, Jacob A., Kang, Zhenye, Witteman, Liam, Zhang, Feng-Yuan, Ma, Zhiwen, & Bender, Guido. Mathematical modeling of novel porous transport layer architectures for proton exchange membrane electrolysis cells. United States. https://doi.org/10.1016/j.ijhydene.2021.05.070
Wrubel, Jacob A., Kang, Zhenye, Witteman, Liam, Zhang, Feng-Yuan, Ma, Zhiwen, and Bender, Guido. Fri . "Mathematical modeling of novel porous transport layer architectures for proton exchange membrane electrolysis cells". United States. https://doi.org/10.1016/j.ijhydene.2021.05.070. https://www.osti.gov/servlets/purl/1805196.
@article{osti_1805196,
title = {Mathematical modeling of novel porous transport layer architectures for proton exchange membrane electrolysis cells},
author = {Wrubel, Jacob A. and Kang, Zhenye and Witteman, Liam and Zhang, Feng-Yuan and Ma, Zhiwen and Bender, Guido},
abstractNote = {Thin foil based porous transport layers (PTLs) that contain highly structured pore arrays have shown promise as anode PTLs in proton exchange membrane electrolysis cells. These novel PTLs, fabricated with advanced manufacturing techniques, produce thin, tunable, multifunctional layers with reduced flow and interfacial resistances and high thermal and electric conductivities. To further optimize their design, it is important to understand their fundamental impact on the transport of protons, electrons, and liquid/vapor mixtures in the electrode. In this work, we develop a two-dimensional multiphysics model to simulate the coupled electrochemistry and multiphase transport in an electrolysis cell operated with the novel PTL architecture. The results show that larger pores improve access of water to the anode catalyst layer, which is beneficial for both the oxygen evolution reaction and membrane hydration. Larger pore sizes also improve oxygen gas transport from the catalyst layer, because generated oxygen gas is forced to travel in-plane through the anode catalyst layer until it reaches a pore opening that is connected to a channel. The discussed results confirm that the proposed thin foil based PTLs are fundamentally different from conventional PTLs, such as felts or layered meshes. The model developed in this work also provides generalizable insight into fundamental PEMEC phenomena, such as the competition between liquid and gas phase transport, membrane hydration and water management, and nonuniform electrochemical reactions, which are processes relevant to all PEMEC designs.},
doi = {10.1016/j.ijhydene.2021.05.070},
journal = {International Journal of Hydrogen Energy},
number = 50,
volume = 46,
place = {United States},
year = {Fri Jun 11 00:00:00 EDT 2021},
month = {Fri Jun 11 00:00:00 EDT 2021}
}

Works referenced in this record:

A comprehensive review on PEM water electrolysis
journal, April 2013

  • Carmo, Marcelo; Fritz, David L.; Mergel, Jürgen
  • International Journal of Hydrogen Energy, Vol. 38, Issue 12, p. 4901-4934
  • DOI: 10.1016/j.ijhydene.2013.01.151

Hydrogen at Scale (H 2 @Scale): Key to a Clean, Economic, and Sustainable Energy System
journal, January 2018

  • Pivovar, Bryan; Rustagi, Neha; Satyapal, Sunita
  • The Electrochemical Society Interface, Vol. 27, Issue 1
  • DOI: 10.1149/2.F04181if

Perspectives on Low-Temperature Electrolysis and Potential for Renewable Hydrogen at Scale
journal, June 2019


Investigation of titanium liquid/gas diffusion layers in proton exchange membrane electrolyzer cells
journal, November 2016


Evaluation of nitrided titanium separator plates for proton exchange membrane electrolyzer cells
journal, December 2014


Electrochemical investigation of stainless steel corrosion in a proton exchange membrane electrolyzer cell
journal, September 2015


Experimental study on porous current collectors of PEM electrolyzers
journal, May 2012


Influence of pore structural properties of current collectors on the performance of proton exchange membrane electrolyzer
journal, June 2013


Thin liquid/gas diffusion layers for high-efficiency hydrogen production from water splitting
journal, September 2016


Performance of a metallic gas diffusion layer for PEM fuel cells
journal, January 2008


Mask-Patterned Wet Etching of Thin Titanium Liquid/Gas Diffusion Layers for a PEMEC
journal, August 2015


A numerical study of the gas-liquid, two-phase flow maldistribution in the anode of a high pressure PEM water electrolysis cell
journal, January 2016

  • Olesen, Anders Christian; Rømer, Carsten; Kær, Søren Knudsen
  • International Journal of Hydrogen Energy, Vol. 41, Issue 1
  • DOI: 10.1016/j.ijhydene.2015.09.140

A comprehensive modeling method for proton exchange membrane electrolyzer development
journal, May 2021


Numerical modeling of three-dimensional two-phase gas–liquid flow in the flow field plate of a PEM electrolysis cell
journal, April 2010


Modeling of two-phase transport in proton exchange membrane electrolyzer cells for hydrogen energy
journal, February 2017


Modelling and simulation of a proton exchange membrane (PEM) electrolyser cell
journal, October 2015


Dynamic modelling of a proton exchange membrane (PEM) electrolyzer
journal, January 2006


Theoretical model and experimental analysis of a high pressure PEM water electrolyser for hydrogen production
journal, February 2009


Model of oxygen bubbles and performance impact in the porous transport layer of PEM water electrolysis cells
journal, November 2017

  • Nouri-Khorasani, Amin; Tabu Ojong, Emile; Smolinka, Tom
  • International Journal of Hydrogen Energy, Vol. 42, Issue 48
  • DOI: 10.1016/j.ijhydene.2017.09.167

Understanding Impacts of Catalyst-Layer Thickness on Fuel-Cell Performance via Mathematical Modeling
journal, January 2016

  • Zenyuk, Iryna V.; Das, Prodip K.; Weber, Adam Z.
  • Journal of The Electrochemical Society, Vol. 163, Issue 7
  • DOI: 10.1149/2.1161607jes

Along-the-Channel Impacts of Water Management and Carbon-Dioxide Contamination in Hydroxide-Exchange-Membrane Fuel Cells: A Modeling Study
journal, January 2019

  • Gerhardt, Michael R.; Pant, Lalit M.; Weber, Adam Z.
  • Journal of The Electrochemical Society, Vol. 166, Issue 7
  • DOI: 10.1149/2.0171907jes

A Critical Review of Modeling Transport Phenomena in Polymer-Electrolyte Fuel Cells
journal, January 2014

  • Weber, Adam Z.; Borup, Rodney L.; Darling, Robert M.
  • Journal of The Electrochemical Society, Vol. 161, Issue 12
  • DOI: 10.1149/2.0751412jes

Micro-Scale Analysis of Liquid Water Breakthrough inside Gas Diffusion Layer for PEMFC Using X-ray Computed Tomography and Lattice Boltzmann Method
journal, January 2017

  • Satjaritanun, P.; Weidner, J. W.; Hirano, S.
  • Journal of The Electrochemical Society, Vol. 164, Issue 11
  • DOI: 10.1149/2.0391711jes

Understanding the Effect of Kinetic and Mass Transport Processes in Cathode Agglomerates
journal, January 2014

  • Moore, M.; Wardlaw, P.; Dobson, P.
  • Journal of The Electrochemical Society, Vol. 161, Issue 8
  • DOI: 10.1149/2.010408jes

Optimization of a proton exchange membrane fuel cell membrane electrode assembly
journal, May 2009

  • Secanell, Marc; Songprakorp, Ron; Djilali, Ned
  • Structural and Multidisciplinary Optimization, Vol. 40, Issue 1-6
  • DOI: 10.1007/s00158-009-0387-z

Impact of carbonation processes in anion exchange membrane fuel cells
journal, February 2018


Towards uniformly distributed heat, mass and charge: A flow field design study for high pressure and high current density operation of PEM electrolysis cells
journal, January 2019


Investigation of thin/well-tunable liquid/gas diffusion layers exhibiting superior multifunctional performance in low-temperature electrolytic water splitting
journal, January 2017

  • Kang, Zhenye; Mo, Jingke; Yang, Gaoqiang
  • Energy & Environmental Science, Vol. 10, Issue 1
  • DOI: 10.1039/C6EE02368A

Reaction mechanism for oxygen evolution on RuO2, IrO2, and RuO2@IrO2 core-shell nanocatalysts
journal, June 2018


Mass transport phenomena in direct methanol fuel cells
journal, June 2009


Gas permeability of catalyzed electrodes in polymer electrolyte membrane fuel cells
journal, January 2018


Diffusion of Water in Nafion 115 Membranes
journal, January 2000

  • Motupally, Sathya; Becker, Aaron J.; Weidner, John W.
  • Journal of The Electrochemical Society, Vol. 147, Issue 9
  • DOI: 10.1149/1.1393879

Electro-osmotic drag coefficient and proton conductivity in Nafion® membrane for PEMFC
journal, April 2010


Water Uptake by and Transport Through Nafion® 117 Membranes
journal, January 1993

  • Zawodzinski, Thomas A.
  • Journal of The Electrochemical Society, Vol. 140, Issue 4
  • DOI: 10.1149/1.2056194

Evaluation and modeling of performance of anode-supported solid oxide fuel cell
journal, March 2000


Coupled Thermal and Water Management in Polymer Electrolyte Fuel Cells
journal, January 2006

  • Weber, Adam Z.; Newman, John
  • Journal of The Electrochemical Society, Vol. 153, Issue 12
  • DOI: 10.1149/1.2352039

In-situ and in-operando analysis of voltage losses using sense wires for proton exchange membrane water electrolyzers
journal, January 2021


In situ investigation on ultrafast oxygen evolution reactions of water splitting in proton exchange membrane electrolyzer cells
journal, January 2017

  • Mo, Jingke; Kang, Zhenye; Yang, Gaoqiang
  • Journal of Materials Chemistry A, Vol. 5, Issue 35
  • DOI: 10.1039/C7TA05681H