Nano/microscale simulation of proton transport in catalyst layer

K. Kobayashi; T. Mabuchi; G. Inoue; T. Tokumasu

doi:10.1149/09208.0515ecst

Nano/microscale simulation of proton transport in catalyst layer

K. Kobayashi, T. Mabuchi, G. Inoue, T. Tokumasu

Product system engineering

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

1 Citation (Scopus)

Abstract

To spread polymer electrolyte fuel cells, improving the cell performance is required. The cell performance depends on various factors. One of the factors that lowers cell performance is proton transport resistance in catalyst layers. Catalyst layers have Nano/Microscale structures which influence on proton transport resistance. In this study, to investigate the relationship between structures of catalyst layers and cell performances, mass transport and chemical reactions are calculated in the 3D catalyst layer models. The information about the ionomer thickness dependence on the diffusion coefficient of protons based on the molecular dynamics simulation studies, is introduced to transport calculation in order to analyze nanoscale structure influence on the cell performance. As a result, we have found that the output voltage increases over the whole range of current density with increasing ionomer/carbon ratio considering ionomer thickness dependence. This result suggests that the nanoscale structure in catalyst layer has a large influence on the cell performance.

Original language	English
Title of host publication	Polymer Electrolyte Fuel Cells and Electrolyzers 19, PEFC and E 19
Editors	K. Swider-Lyons, H. Uchida, F. Buechi, W. E. Mustain, B. S. Pivovar, P. N. Pintauro, A. Z. Weber, D. Jones, H. Gasteiger, C. A. Rice, P. Strasser, E. Kjeang, K. Shinohara, S. Mitsushima, Y.-T. Kim, T. J. Schmidt, J. M. Fenton, R. A. Mantz, B. Lakshmanan, H. Xu
Publisher	Electrochemical Society Inc.
Pages	515-522
Number of pages	8
Edition	8
ISBN (Electronic)	9781607685395
ISBN (Print)	9781607688822
DOIs	https://doi.org/10.1149/09208.0515ecst
Publication status	Published - Jan 1 2019
Event	Symposium on Polymer Electrolyte Fuel Cells and Electrolyzers 19, PEFC and E 2019 - 236th ECS Meeting - Atlanta, United States Duration: Oct 13 2019 → Oct 17 2019

Publication series

Name	ECS Transactions
Number	8
Volume	92
ISSN (Print)	1938-6737
ISSN (Electronic)	1938-5862

Conference

Conference	Symposium on Polymer Electrolyte Fuel Cells and Electrolyzers 19, PEFC and E 2019 - 236th ECS Meeting
Country/Territory	United States
City	Atlanta
Period	10/13/19 → 10/17/19

All Science Journal Classification (ASJC) codes

Engineering(all)

Access to Document

10.1149/09208.0515ecst

Cite this

Kobayashi, K., Mabuchi, T., Inoue, G., & Tokumasu, T. (2019). Nano/microscale simulation of proton transport in catalyst layer. In K. Swider-Lyons, H. Uchida, F. Buechi, W. E. Mustain, B. S. Pivovar, P. N. Pintauro, A. Z. Weber, D. Jones, H. Gasteiger, C. A. Rice, P. Strasser, E. Kjeang, K. Shinohara, S. Mitsushima, Y-T. Kim, T. J. Schmidt, J. M. Fenton, R. A. Mantz, B. Lakshmanan, & H. Xu (Eds.), Polymer Electrolyte Fuel Cells and Electrolyzers 19, PEFC and E 19 (8 ed., pp. 515-522). (ECS Transactions; Vol. 92, No. 8). Electrochemical Society Inc.. https://doi.org/10.1149/09208.0515ecst

Nano/microscale simulation of proton transport in catalyst layer. / Kobayashi, K.; Mabuchi, T.; Inoue, G.; Tokumasu, T.

Polymer Electrolyte Fuel Cells and Electrolyzers 19, PEFC and E 19. ed. / K. Swider-Lyons; H. Uchida; F. Buechi; W. E. Mustain; B. S. Pivovar; P. N. Pintauro; A. Z. Weber; D. Jones; H. Gasteiger; C. A. Rice; P. Strasser; E. Kjeang; K. Shinohara; S. Mitsushima; Y.-T. Kim; T. J. Schmidt; J. M. Fenton; R. A. Mantz; B. Lakshmanan; H. Xu. 8. ed. Electrochemical Society Inc., 2019. p. 515-522 (ECS Transactions; Vol. 92, No. 8).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Kobayashi, K, Mabuchi, T, Inoue, G & Tokumasu, T 2019, Nano/microscale simulation of proton transport in catalyst layer. in K Swider-Lyons, H Uchida, F Buechi, WE Mustain, BS Pivovar, PN Pintauro, AZ Weber, D Jones, H Gasteiger, CA Rice, P Strasser, E Kjeang, K Shinohara, S Mitsushima, Y-T Kim, TJ Schmidt, JM Fenton, RA Mantz, B Lakshmanan & H Xu (eds), Polymer Electrolyte Fuel Cells and Electrolyzers 19, PEFC and E 19. 8 edn, ECS Transactions, no. 8, vol. 92, Electrochemical Society Inc., pp. 515-522, Symposium on Polymer Electrolyte Fuel Cells and Electrolyzers 19, PEFC and E 2019 - 236th ECS Meeting, Atlanta, United States, 10/13/19. https://doi.org/10.1149/09208.0515ecst

Kobayashi K, Mabuchi T, Inoue G, Tokumasu T. Nano/microscale simulation of proton transport in catalyst layer. In Swider-Lyons K, Uchida H, Buechi F, Mustain WE, Pivovar BS, Pintauro PN, Weber AZ, Jones D, Gasteiger H, Rice CA, Strasser P, Kjeang E, Shinohara K, Mitsushima S, Kim Y-T, Schmidt TJ, Fenton JM, Mantz RA, Lakshmanan B, Xu H, editors, Polymer Electrolyte Fuel Cells and Electrolyzers 19, PEFC and E 19. 8 ed. Electrochemical Society Inc. 2019. p. 515-522. (ECS Transactions; 8). https://doi.org/10.1149/09208.0515ecst

Kobayashi, K. ; Mabuchi, T. ; Inoue, G. ; Tokumasu, T. / Nano/microscale simulation of proton transport in catalyst layer. Polymer Electrolyte Fuel Cells and Electrolyzers 19, PEFC and E 19. editor / K. Swider-Lyons ; H. Uchida ; F. Buechi ; W. E. Mustain ; B. S. Pivovar ; P. N. Pintauro ; A. Z. Weber ; D. Jones ; H. Gasteiger ; C. A. Rice ; P. Strasser ; E. Kjeang ; K. Shinohara ; S. Mitsushima ; Y.-T. Kim ; T. J. Schmidt ; J. M. Fenton ; R. A. Mantz ; B. Lakshmanan ; H. Xu. 8. ed. Electrochemical Society Inc., 2019. pp. 515-522 (ECS Transactions; 8).

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abstract = "To spread polymer electrolyte fuel cells, improving the cell performance is required. The cell performance depends on various factors. One of the factors that lowers cell performance is proton transport resistance in catalyst layers. Catalyst layers have Nano/Microscale structures which influence on proton transport resistance. In this study, to investigate the relationship between structures of catalyst layers and cell performances, mass transport and chemical reactions are calculated in the 3D catalyst layer models. The information about the ionomer thickness dependence on the diffusion coefficient of protons based on the molecular dynamics simulation studies, is introduced to transport calculation in order to analyze nanoscale structure influence on the cell performance. As a result, we have found that the output voltage increases over the whole range of current density with increasing ionomer/carbon ratio considering ionomer thickness dependence. This result suggests that the nanoscale structure in catalyst layer has a large influence on the cell performance.",

author = "K. Kobayashi and T. Mabuchi and G. Inoue and T. Tokumasu",

note = "Funding Information: This research was supported by the New Energy and Industrial Technology Development Organization (NEDO) of Japan and the Promotion of Science (JSPS) KAKENHI Grant no. 18H01364. We used the integrated supercomputation system at the Institute of Fluid Science of Tohoku University. Publisher Copyright: {\textcopyright} The Electrochemical Society.; Symposium on Polymer Electrolyte Fuel Cells and Electrolyzers 19, PEFC and E 2019 - 236th ECS Meeting ; Conference date: 13-10-2019 Through 17-10-2019",

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AU - Kobayashi, K.

AU - Mabuchi, T.

AU - Inoue, G.

AU - Tokumasu, T.

N1 - Funding Information: This research was supported by the New Energy and Industrial Technology Development Organization (NEDO) of Japan and the Promotion of Science (JSPS) KAKENHI Grant no. 18H01364. We used the integrated supercomputation system at the Institute of Fluid Science of Tohoku University. Publisher Copyright: © The Electrochemical Society.

PY - 2019/1/1

Y1 - 2019/1/1

N2 - To spread polymer electrolyte fuel cells, improving the cell performance is required. The cell performance depends on various factors. One of the factors that lowers cell performance is proton transport resistance in catalyst layers. Catalyst layers have Nano/Microscale structures which influence on proton transport resistance. In this study, to investigate the relationship between structures of catalyst layers and cell performances, mass transport and chemical reactions are calculated in the 3D catalyst layer models. The information about the ionomer thickness dependence on the diffusion coefficient of protons based on the molecular dynamics simulation studies, is introduced to transport calculation in order to analyze nanoscale structure influence on the cell performance. As a result, we have found that the output voltage increases over the whole range of current density with increasing ionomer/carbon ratio considering ionomer thickness dependence. This result suggests that the nanoscale structure in catalyst layer has a large influence on the cell performance.

AB - To spread polymer electrolyte fuel cells, improving the cell performance is required. The cell performance depends on various factors. One of the factors that lowers cell performance is proton transport resistance in catalyst layers. Catalyst layers have Nano/Microscale structures which influence on proton transport resistance. In this study, to investigate the relationship between structures of catalyst layers and cell performances, mass transport and chemical reactions are calculated in the 3D catalyst layer models. The information about the ionomer thickness dependence on the diffusion coefficient of protons based on the molecular dynamics simulation studies, is introduced to transport calculation in order to analyze nanoscale structure influence on the cell performance. As a result, we have found that the output voltage increases over the whole range of current density with increasing ionomer/carbon ratio considering ionomer thickness dependence. This result suggests that the nanoscale structure in catalyst layer has a large influence on the cell performance.

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BT - Polymer Electrolyte Fuel Cells and Electrolyzers 19, PEFC and E 19

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A2 - Mustain, W. E.

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A2 - Lakshmanan, B.

A2 - Xu, H.

PB - Electrochemical Society Inc.

T2 - Symposium on Polymer Electrolyte Fuel Cells and Electrolyzers 19, PEFC and E 2019 - 236th ECS Meeting

Y2 - 13 October 2019 through 17 October 2019

ER -

Nano/microscale simulation of proton transport in catalyst layer

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