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Nanoscopic Post-Compression Effects on Transport Phenomena and Electrochemical Utilization in Quaternion Catalyst Layers for Fuel Cell Applications

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Abstract

This study aimed to determine nanoscopic interactions between constituent distributions and effective transport processes in pre- and post-compressed catalyst layers (CLs) of proton exchange membrane fuel cells (PEMFCs) to improve cell performance and reduce cell cost. To this end, quaternion CLs were reconstructed with carbon black-supported platinum, proton-conductive ionomer, and gas-transporting pores. The percolation cluster labeling method was implemented to estimate the interconnectivity of Pt/C, ionomer, and the gas-transporting void phase in pre- and post-compressed CLs with a 98% confidence level. The effect of compression on the interconnectivity of Pt/C, ionomer, and pores was examined for a range of ionomer-to-carbon (I/C) weight ratios. Next, lattice Boltzmann direct numerical simulations (LB-DNSs) with fine-lattice grids were introduced to estimate the reactant gas transport characteristics for the pre- and post-compressed CLs. The results indicate that the dead pore fraction and the tortuosity of the void phase are directly proportional to compression, whereas the permeability of the CL is inversely proportional to compression. Subsequently, the morphology-based and the transport-based effective catalyst utilization factors (M- and T-ECUFs) were compared as a function of the I/C ratio under various compression conditions. Detailed simulations further revealed that the M-ECUF, representing the ideal catalyst utilization case for an electrochemical reaction, usually appears to be greater than the T-ECUF and compression has a positive effect on ECUF, particularly for low I/C ratios, because of reduced local resistance on the surface of the catalyst by compression.

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Data availability

All data underlying the results are available as part of the article and no additional source data are required.

Abbreviations

c :

Lattice speed

d :

Pore diameter, m

D :

Diffusion coefficient, m2/s

e :

Directional matrix

f :

Density distribution function

I/C :

Ionomer-to-carbon ratio

IR :

Interconnectivity ratio

k :

Boltzmann constant, J/K

K :

Intrinsic permeability, m2

l :

Through-plane direction thickness

L :

Characteristic length, m

m :

Mass in a unit volume of the catalyst layer, g/cm3

M :

Molar mass, kg/mol

P :

Static pressure, N/m2

PF :

Platinum fraction parameters

R :

Universal gas constant, J/mol K

t :

Lattice time

T :

Thermodynamic temperature, K

u :

Velocity, m/s

x :

Abscissa in the in-plane direction

X :

Mass fraction

y :

Ordinate in the in-plane direction

z :

Through-plane direction

\(\gamma\) :

Loading of the component, mg/cm2

\(\rho\) :

Density, g/cm3

\(\phi\) :

Volume fraction

\(\tau\) :

Relaxation time

\(\omega\) :

Weight factor

\(\nu\) :

Kinematic viscosity, m2/s

\(\lambda\) :

Mean free path, m

\(\sigma\) :

Effective cross-sectional area for collision, m2

\(\mu\) :

Dynamic viscosity, kg/m s

\(\Gamma\) :

Effective catalyst utilization factor

c :

Carbon

eff :

Effective value

eq :

Equilibrium

in :

Ionomer

pore :

Pore

porosity :

Bulk porosity

pt :

Platinum

avg :

Average value

B :

Boltzmann constant value

c :

Carbon

CL :

Catalyst layer

e :

Streamline in a pore structure

EA :

Electron-accessed value

Gas :

Gas phase value

GE :

Gas-exposed value

i :

D3Q19 lattice direction

in :

Ionomer

Kn :

Knudsen value

lattice :

Lattice Boltzmann method value

M :

Morphology-based effective value

Mfp :

Mean free path

N 2 :

Nitrogen value

O 2 :

Oxygen value

PA :

Proton-accessed

Pt :

Platinum

Pt/C :

Platinum/carbon

r :

Lattice Boltzmann method relaxation value

s :

Speed of sound

total :

Total value of nanoparticles

T :

Transport-based effective value

x :

Abscissa in the in-plane direction

y :

Ordinate in the in-plane direction

z :

Through-plane direction

w :

Wall value

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Acknowledgements

This work was supported by the Korea Institute for Advancement of Technology [Grant Number 1415183958 (P0018649)]; Korea Institute of Energy Technology Evaluation and Planning [Grant Number 1415181294 (20223030030110)]; and the Korea Evaluation Institute of Industrial Technology [Grant Number 1415186266 (20012133)].

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  1. Department of Mechanical Engineering, Hanyang University, 222 Wangsimni-ro, Seongdong-gu, Seoul, 04763, South Korea

    Sungjea Park, Jonghyun Lee, Young-Beom Kim & Sukkee Um

  2. Department of Mechanical Engineering, University of Engineering and Technology, 7Km G.T Road, Joura Sian, Gukkhar, Punjab, Pakistan

    Ali Akbar

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SP conceptualization, methodology, validation, investigation, writing. AA data curation, resources, software, visualization, writing. JL visualization, software. Y-BK visualization. SU conceptualization, investigation, supervision, project administration, funding acquisition, writing—review and editing.

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Park, S., Akbar, A., Lee, J. et al. Nanoscopic Post-Compression Effects on Transport Phenomena and Electrochemical Utilization in Quaternion Catalyst Layers for Fuel Cell Applications. Int. J. of Precis. Eng. and Manuf.-Green Tech. 11, 463–479 (2024). https://doi.org/10.1007/s40684-023-00564-x

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