Multi-scale simulation approach for polymer electrolyte fuel cell cathode design

M. Koyama, D. Kim, B. Kim, T. Hattori, A. Suzuki, R. Sahnoun, H. Tsuboi, N. Hatakeyama, A. Endou, H. Takaba, C. A. Del Carpio, R. C. Deka, M. Kubo, A. Miyamoto

研究成果: 著書/レポートタイプへの貢献会議での発言

2 引用 (Scopus)

抜粋

Toward rational design of polymer electrolyte fuel cell (PEFC), understandings of both atomistic scale and systems characteristics are important. Multi-scale simulation can contribute to bridging microscopic and macroscopic understandings effectively. In this manuscript, we described a multi-scale simulation approach based on an original porous structure simulator and computational chemistry methods. Proton conductivity was estimated by molecular dynamics method and structures of porous catalyst layer were modeled by the porous structure simulator. Multi-scale simulations for macroscopic current-voltage characteristics of PEFC were performed considering both atomistic-scale properties and porous microstructure. Influences of atomistic properties and microstructure of porous catalyst layer on macroscopic currentvoltage characteristics were successfully studied. Effectiveness of the developed multi-scale simulation approach was confirmed from the simulation results.

元の言語英語
ホスト出版物のタイトルECS Transactions - Proton Exchange Membrane Fuel Cells 8
ページ57-66
ページ数10
エディション2 PART 1
DOI
出版物ステータス出版済み - 12 1 2008
イベントProton Exchange Membrane Fuel Cells 8, PEMFC - 214th ECS Meeting - Honolulu, HI, 米国
継続期間: 10 12 200810 17 2008

出版物シリーズ

名前ECS Transactions
番号2 PART 1
16
ISSN(印刷物)1938-5862
ISSN(電子版)1938-6737

その他

その他Proton Exchange Membrane Fuel Cells 8, PEMFC - 214th ECS Meeting
米国
Honolulu, HI
期間10/12/0810/17/08

All Science Journal Classification (ASJC) codes

  • Engineering(all)

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  • これを引用

    Koyama, M., Kim, D., Kim, B., Hattori, T., Suzuki, A., Sahnoun, R., Tsuboi, H., Hatakeyama, N., Endou, A., Takaba, H., Del Carpio, C. A., Deka, R. C., Kubo, M., & Miyamoto, A. (2008). Multi-scale simulation approach for polymer electrolyte fuel cell cathode design. : ECS Transactions - Proton Exchange Membrane Fuel Cells 8 (2 PART 1 版, pp. 57-66). (ECS Transactions; 巻数 16, 番号 2 PART 1). https://doi.org/10.1149/1.2981843