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アイオノマー上の分子散乱ダイナミクスを考慮した燃料電池触媒層酸素輸送機構の解明

Research Project

Project/Area Number 17J03728
Research Category

Grant-in-Aid for JSPS Fellows

Allocation TypeSingle-year Grants
Section国内
Research Field Fluid engineering
Research InstitutionTohoku University

Principal Investigator

中内 将隆  東北大学, 工学研究科, 特別研究員(DC1)

Project Period (FY) 2017-04-26 – 2020-03-31
Project Status Completed (Fiscal Year 2019)
Budget Amount *help
¥2,500,000 (Direct Cost: ¥2,500,000)
Fiscal Year 2019: ¥800,000 (Direct Cost: ¥800,000)
Fiscal Year 2018: ¥800,000 (Direct Cost: ¥800,000)
Fiscal Year 2017: ¥900,000 (Direct Cost: ¥900,000)
Keywords固体高分子形燃料電池 / 多孔体 / 希薄気体力学 / catalyst layer / 燃料電池 / 面分子干渉 / 触媒層 / 多孔体流れ / 気体分子散乱 / 分子熱流動
Outline of Annual Research Achievements

本研究課題では固体高分子形燃料電池の高効率化に向けて,カソード側触媒層における酸素輸送現象を明らかにすることを目的とし,触媒層表面を覆うアイオノマー膜上の酸素分子の散乱挙動から触媒層の多孔体構造全体における酸素輸送現象に至るまでのマルチスケール解析を行った.
本年度は触媒層空孔を模擬した微小流路における酸素拡散現象について分子動力学シミュレーションを用いた解析を行い,次のような知見が得られた.アイオノマー流路内の酸素拡散係数は従来のKnudsen拡散よりも低くなっており,表面に吸着した酸素分子が拡散性を阻害しているものと考えられる.表面における拡散と気相中における拡散の寄与度を評価したところ,含水率の上昇に従って表面拡散の輸送への寄与が高くなる傾向となった.
また,平成29年度から継続して行っている散乱現象に加え,本年度明らかにした表面拡散現象をモデル化し,触媒層実構造における輸送シミュレータに実装した.実構造の触媒層を走査型電子顕微鏡で撮影した画像データから3次元構造に再構築し,内部の拡散現象にモンテカルロ法を用いて計算した.その際,アイオノマー壁面との衝突としてこれまでの散乱・表面拡散モデルを適用し,各含水率および被覆率における酸素の拡散性を評価した.これにより,高効率な酸素の拡散性に有効な触媒層構造の提案が可能となった.

Research Progress Status

令和元年度が最終年度であるため、記入しない。

Strategy for Future Research Activity

令和元年度が最終年度であるため、記入しない。

Report

(3 results)
  • 2019 Annual Research Report
  • 2018 Annual Research Report
  • 2017 Annual Research Report
  • Research Products

    (16 results)

All 2019 2018 2017

All Journal Article (4 results) (of which Peer Reviewed: 3 results,  Open Access: 3 results) Presentation (12 results) (of which Int'l Joint Research: 7 results)

  • [Journal Article] Molecular Dynamics Study of Oxygen Diffusivity in Catalyst Layer2019

    • Author(s)
      Nakauchi Masataka、Mabuchi Takuya、Yoshimoto Yuta、Kaneko Toshihiro、Kinefuchi Ikuya、Takeuchi Hideki、Tokumasu Takashi
    • Journal Title

      ECS Transactions

      Volume: 92 Issue: 8 Pages: 23-28

    • DOI

      10.1149/09208.0023ecst

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Molecular Dynamics Study of Oxygen Scattering Behavior on Perfluorosulfonic Acid Ionomer Thin Films2019

    • Author(s)
      Nakauchi Masataka、Mabuchi Takuya、Yoshimoto Yuta、Hori Takuma、Kinefuchi Ikuya、Takeuchi Hideki、Tokumasu Takashi
    • Journal Title

      The Journal of Physical Chemistry C

      Volume: 123 Issue: 12 Pages: 7125-7133

    • DOI

      10.1021/acs.jpcc.8b11475

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Gas-Surface Interaction Study of Oxygen Molecules on Ionomer Surface in Catalyst Layer2017

    • Author(s)
      Nakauchi Masataka、Mabuchi Takuya、Hori Takuma、Yoshimoto Yuta、Kinefuchi Ikuya、Takeuchi Hideki、Tokumasu Takashi
    • Journal Title

      ECS Transactions

      Volume: 80 Issue: 8 Pages: 197-203

    • DOI

      10.1149/08008.0197ecst

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Molecular Simulations of Oxygen Scattering and Surface Diffusion on Ionomer Surface2017

    • Author(s)
      Nakauchi Masataka、Mabuchi Takuya、Hori Takuma、Yoshimoto Yuta、Kinefuchi Ikuya、Takeuchi Hideki、Tokumasu Takashi
    • Journal Title

      proceedings of 6th European PEFC & Electrolyser Forrum 2017

      Volume: 4 Pages: 50-56

    • Related Report
      2017 Annual Research Report
    • Open Access
  • [Presentation] Molecular Dynamics Study of Oxygen Diffusivity in Catalyst Layer2019

    • Author(s)
      Masataka Nakauchi
    • Organizer
      236th ECS meeting
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Oxygen Transport Analysis in Catalyst Layer of Polymer Electrolyte Fuel Cell2019

    • Author(s)
      Masataka Nakauchi
    • Organizer
      Sixteenth International Conference on Flow Dynamics
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 触媒層微小流路における酸素輸送現象の分子論的解析2019

    • Author(s)
      中内将隆
    • Organizer
      第56回日本伝熱シンポジウム
    • Related Report
      2019 Annual Research Report
  • [Presentation] Gas-Surface Dynamics of Oxygen Molecule on Nafion Ionomer Membrane2018

    • Author(s)
      M. Nakauchi, T. Mabuchi, T. Hori, Y. Yoshimoto, I. Kinefuchi, H. Takeuchi and T. Tokumasu
    • Organizer
      31st International Symposium on Rarefied Gas Dynamics
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Molecular Dynamics Simulation of Oxygen Diffusion on Ionomer Surface2018

    • Author(s)
      M. Nakauchi, T. Mabuchi, Y. Yoshimoto, T. Kaneko, I. Kinefuchi, H. Takeuchi and T. Tokumasu
    • Organizer
      Fifteenth International Conference on Flow Dynamics
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research
  • [Presentation] アイオノマー膜表面における酸素分子拡散現象の分子論的解析2018

    • Author(s)
      中内将隆,馬渕拓哉,吉本勇太,金子敏弘,杵淵郁也,武内秀樹,徳増崇
    • Organizer
      日本機械学会2018年度年次大会
    • Related Report
      2018 Annual Research Report
  • [Presentation] PEFC触媒層における酸素拡散機構の分子論的解析2018

    • Author(s)
      中内将隆,馬渕拓哉,吉本勇太,金子敏弘,杵淵郁也,武内秀樹,徳増崇
    • Organizer
      第32回数値流体力学シンポジウム
    • Related Report
      2018 Annual Research Report
  • [Presentation] Molecular Simulations of Oxygen Scattering and Surface Diffusion on Ionomer Surface2017

    • Author(s)
      M. Nakauchi, T. Mabuchi, T. Hori, Y. Yoshimoto, I. Kinefuchi, H. Takeuchi and T. Tokumasu
    • Organizer
      6th European PEFC and Electrolyser Forum
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Gas-Surface Study of Oxygen Molecule on Ionomer Surface in Catalyst Layer2017

    • Author(s)
      M. Nakauchi, T. Mabuchi, T. Hori, Y. Yoshimoto, I. Kinefuchi, H. Takeuchi and T. Tokumasu
    • Organizer
      232nd ECS meeting
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Numerical Analysis of Scattering Behavior and Surface Diffusion of Oxygen Molecules on Ionomer Surface2017

    • Author(s)
      M. Nakauchi, T. Mabuchi, T. Hori, Y. Yoshimoto, I. Kinefuchi, H. Takeuchi and T. Tokumasu
    • Organizer
      Fourteenth International Conference on Flow Dynamics
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 分子動力学法を用いた触媒層アイオノマー表面における酸素分子散乱・表面拡散現象の解析2017

    • Author(s)
      中内将隆,馬渕拓哉,堀琢磨,吉本勇太,杵淵郁也,武内秀樹,徳増崇
    • Organizer
      第54回日本伝熱シンポジウム
    • Related Report
      2017 Annual Research Report
  • [Presentation] PEFC触媒層アイオノマー表面における酸素分子散乱挙動の解析2017

    • Author(s)
      中内将隆,馬渕拓哉,堀琢磨,吉本勇太,杵淵郁也,武内秀樹,徳増崇
    • Organizer
      日本機械学会2017年度年次大会
    • Related Report
      2017 Annual Research Report

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Published: 2017-05-25   Modified: 2024-03-26  

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