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Theoretical elucidation of optimal structure for PEMFC catalyst layer based on non-equilibrium thermodynamics

Research Project

Project/Area Number 22KJ2198
Project/Area Number (Other) 22J20603 (2022)
Research Category

Grant-in-Aid for JSPS Fellows

Allocation TypeMulti-year Fund (2023)
Single-year Grants (2022)
Section国内
Review Section Basic Section 19020:Thermal engineering-related
Research InstitutionOsaka University

Principal Investigator

Alizadehkolagar Seyedmehrzad  大阪大学, 工学研究科, 特別研究員(DC1)

Project Period (FY) 2023-03-08 – 2025-03-31
Project Status Granted (Fiscal Year 2023)
Budget Amount *help
¥2,500,000 (Direct Cost: ¥2,500,000)
Fiscal Year 2024: ¥800,000 (Direct Cost: ¥800,000)
Fiscal Year 2023: ¥800,000 (Direct Cost: ¥800,000)
Fiscal Year 2022: ¥900,000 (Direct Cost: ¥900,000)
Keywords不可逆損失 / トポロジー最適化 / エントロピー生成 / 細孔連結モデル / 燃料電池 / フロー電池 / 数理最適化 / 非平衡熱力学
Outline of Research at the Start

化石燃料資源の枯渇や化石燃料の大量使用による環境問題が懸念され,拡大するエネルギー需要を満たすため,新エネルギーへの転換が求められている.水素が注目され,固体高分子形燃料電池(Polymer Electrolyte Fuel Cell, PEFC)を用いた高効率発電が期待されている.PEFCは高出力密度,迅速な起動,低い動作温度といった特徴を持つため,自動車用動力源や分散型電気・熱供給源など,さまざまな用途での利用が進められている.PEFCの高性能化を目指しており,そのために不可欠な触媒層の微細構造制御に向けた研究をする.

Outline of Annual Research Achievements

本研究は、燃料電池や二次電池などの電気化学デバイスの電極における「不可逆損失の最小化」のための理論の確立を目指しています。昨年の研究を継続し、電気化学発電システムの電極内の材料分布を最適化するための「混合トポロジー最適化」手法を提案しました。燃料電池の電極内のエントロピー生成を評価するためのエントロピー生成解析モデルを開発しました。電極構造の最適化前後のエントロピー生成挙動を比較し、最適化プロセスによる改善をエントロピー生成解析に基づいて説明しました。さらに、カナダのWaterloo大学のJeff Gostick准教授との共同研究で、レドックスフロー電池の電極最適化のための新規手法を提案しました。最適化は、細孔連結モデル(Pore Network Modeling)とメタヒューリスティクス最適化アルゴリズムに基づいています。提案された枠組みは、レドックスフロー電池の細孔構造を細孔レベルで最適化するため、成功裏に用いられました。研究成果は、ジャーナル論文や複数の国内外の会議で発表されました。

Current Status of Research Progress
Current Status of Research Progress

1: Research has progressed more than it was originally planned.

Reason

本研究の目的は、電気エネルギーデバイスにおける反応輸送のための最適な多孔質構造を見つけ、エントロピー生成解析による性能向上を説明することです。これまでに、巨視的モデルや細孔連結モデル(Pore Network Modeling, PNM)などの各種モデリング手法と、トポロジー最適化やメタヒューリスティクスアルゴリズムなどの最適化手法を組み合わせてきました。燃料電池の性能モデルを開発し、電極構造を最適化し、国内外の学会で発表しました。さらに、PNMをレドックスフロー電池のシミュレーションに利用しました。このモデルを遺伝的アルゴリズムと統合することで、電極の性能を向上させました。この研究成果は、いくつかの学術論文や学会発表の形で発表しました。また、研究協力により、より効率よく研究を行うことができるようになりました。

Strategy for Future Research Activity

2024年度は、細孔連結モデル(Pore Network Modeling)の改良を行い、他の輸送現象とより複雑な反応過程を組み込むことで研究を進める予定です。また、最適化アルゴリズムの改良を行い、大規模モデルへの最適化を実施する予定です。さらに、固体高分子形燃料電池(PEFC)向けのエントロピー生成モデルを用いて、多孔質電極の最適構造の解明を継続していきます。さらに、研究成果は、複数の学術論文や学会発表で発信する予定があります。

Report

(2 results)
  • 2023 Research-status Report
  • 2022 Annual Research Report
  • Research Products

    (25 results)

All 2024 2023 2022 Other

All Int'l Joint Research (3 results) Journal Article (7 results) (of which Int'l Joint Research: 7 results,  Peer Reviewed: 7 results,  Open Access: 2 results) Presentation (15 results) (of which Int'l Joint Research: 10 results)

  • [Int'l Joint Research] KMUTT University(タイ)

    • Related Report
      2023 Research-status Report
  • [Int'l Joint Research] University of Waterloo(カナダ)

    • Related Report
      2023 Research-status Report
  • [Int'l Joint Research] King Mongkut's Univ. of Tech. Thonburi(タイ)

    • Related Report
      2022 Annual Research Report
  • [Journal Article] Investigation of transport-reaction dynamics and local/global entropy production in topology optimization of two-species reaction-diffusion systems2023

    • Author(s)
      Alizadeh Mehrzad、Charoen-amornkitt Patcharawat、Suzuki Takahiro、Tsushima Shohji
    • Journal Title

      Chemical Engineering Science

      Volume: 275 Pages: 118739-118739

    • DOI

      10.1016/j.ces.2023.118739

    • Related Report
      2023 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] A Numerical Simulation of Evolution Processes and Entropy Generation for Optimal Architecture of an Electrochemical Reaction-Diffusion System: Comparison of Two Optimization Strategies2023

    • Author(s)
      Alizadeh Mehrzad、Charoen-amornkitt Patcharawat、Suzuki Takahiro、Tsushima Shohji
    • Journal Title

      Journal of The Electrochemical Society

      Volume: 170 Issue: 11 Pages: 114520-114520

    • DOI

      10.1149/1945-7111/ad0a7c

    • Related Report
      2023 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Mixed topology optimization: A self-guided boundary-independent approach for power sources2023

    • Author(s)
      Alizadeh Mehrzad、Charoen-amornkitt Patcharawat、Suzuki Takahiro、Tsushima Shohji
    • Journal Title

      Energy Conversion and Management

      Volume: 294 Pages: 117567-117567

    • DOI

      10.1016/j.enconman.2023.117567

    • Related Report
      2023 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] ANALYSIS OF LOCAL-GLOBAL ENTROPY GENERATION IN AN ELECTROCHEMICAL SYSTEM2023

    • Author(s)
      Alizadeh Mehrzad、Charoen-amornkitt Patcharawat、Suzuki Takahiro、Tsushima Shohji
    • Journal Title

      Proceeding of International Heat Transfer Conference 17

      Volume: - Pages: 10-10

    • DOI

      10.1615/ihtc17.440-20

    • Related Report
      2023 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Topologically Optimized Anode Catalyst Layers of Proton Exchange Membrane Water Electrolyzers2023

    • Author(s)
      Charoen-amornkitt Patcharawat、Alizadeh Mehrzad、Suzuki Takahiro、Tsushima Shohji
    • Journal Title

      ECS Transactions

      Volume: 111 Issue: 4 Pages: 87-95

    • DOI

      10.1149/11104.0087ecst

    • Related Report
      2023 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] The Influence of Rib and Porous Reactor Thickness on Topologically Optimized Structure in Reaction-Diffusion Systems2023

    • Author(s)
      Long Mengly、Suzuki Takahiro、Alizadeh Mehrzad、Tsushima Shohji、Charoen-amornkitt Patcharawat
    • Journal Title

      Proceeding of IEEE Transportation Electrification Conference and Expo, Asia-Pacific (ITEC Asia-Pacific)

      Volume: -

    • DOI

      10.1109/itecasia-pacific59272.2023.10372373

    • Related Report
      2023 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Entropy Generation Analysis During Adjoint Variable-based Topology Optimization of Porous Reaction-Diffusion Systems under Various Design Dimensionalities2023

    • Author(s)
      P. Charoen-amornkitt, M. Alizadeh, T. Suzuki, S. Tsushima
    • Journal Title

      International Journal of Heat and Mass Transfer

      Volume: 202 Pages: 123725-123725

    • DOI

      10.1016/j.ijheatmasstransfer.2022.123725

    • Related Report
      2022 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Presentation] High-resolution topologically optimized design for porous reactors based on pore-scale modeling and simulation2024

    • Author(s)
      Alizadeh Mehrzad, Gostick Jeff, Suzuki Takahiro, Tsushima Shohji
    • Organizer
      5th International Chemical Engineering Symposia
    • Related Report
      2023 Research-status Report
  • [Presentation] Optimizing pore network morphology for enhanced conversion rate in porous catalytic reactors2023

    • Author(s)
      Alizadeh Mehrzad, Gostick Jeff, Suzuki Takahiro, Tsushima Shohji
    • Organizer
      64th Battery Symposium in Japan
    • Related Report
      2023 Research-status Report
  • [Presentation] Effect of Design Dimensionality on Topologically Optimized Porous Structures of Reaction-Diffusion System2023

    • Author(s)
      Long Mengly, Alizadeh Mehrzad, Charoen-amornkitt Patcharawat, Suzuki Takahiro, Tsushima Shohji
    • Organizer
      64th Battery Symposium in Japan
    • Related Report
      2023 Research-status Report
  • [Presentation] Temperature effects on topologically-optimized structure of porous reaction-diffusion system2023

    • Author(s)
      Alizadeh Mehrzad, Long Mengly, Sun Pengfei, Charoen-amornkitt Patcharawat, Suzuki Takahiro, Tsushima Shohji
    • Organizer
      33rd International Symposium on Transport Phenomena
    • Related Report
      2023 Research-status Report
    • Int'l Joint Research
  • [Presentation] Entropy generation analysis in a quasi-3D PEM fuel cell model with architectured electrocatalyst layer2023

    • Author(s)
      Alizadeh Mehrzad, Charoen-amornki Patcharawat, Suzuki Takahiro, Tsushima Shohji
    • Organizer
      15th Annual International Conference on Porous Media (InterPore 2023)
    • Related Report
      2023 Research-status Report
    • Int'l Joint Research
  • [Presentation] Comparison of two optimization approaches in an electrochemical reaction-diffusion system from an entropy generation perspective2023

    • Author(s)
      Alizadeh Mehrzad, Charoen-amornki Patcharawat, Suzuki Takahiro, Tsushima Shohji
    • Organizer
      15th Annual International Conference on Porous Media (InterPore 2023)
    • Related Report
      2023 Research-status Report
    • Int'l Joint Research
  • [Presentation] Optimization of Material Distribution in Electrodes of Power Generating Devices: A Mixed Approach2023

    • Author(s)
      Alizadeh Mehrzad, Charoen-amornki Patcharawat, Suzuki Takahiro, Tsushima Shohji
    • Organizer
      244th ECS Meeting
    • Related Report
      2023 Research-status Report
    • Int'l Joint Research
  • [Presentation] Influence of reaction-diffusion parameters on topologically optimized porosity distribution in reaction-diffusion systems considering temperature dependence2023

    • Author(s)
      Long Mengly, Alizadeh Mehrzad, Charoen-amornkitt Patcharawat, Suzuki Takahiro, Tsushima Shohji
    • Organizer
      13th TSME International Conference on Mechanical Engineering
    • Related Report
      2023 Research-status Report
    • Int'l Joint Research
  • [Presentation] Toward next-generation electrochemical devices: A second law of thermodynamics approach2023

    • Author(s)
      Mehrzad Alizadeh
    • Organizer
      14th HOPE Meeting
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Numerical modeling and simulation of polymer electrolyte fuel cells with different ionomer to carbon ratios in catalyst layers2022

    • Author(s)
      Mehrzad Alizadeh, Takahiro Suzuki, Shohji Tsushima
    • Organizer
      59th National Heat Transfer Symposium of Japan
    • Related Report
      2022 Annual Research Report
  • [Presentation] Numerical analysis on optimization of porosity distribution in a reaction-diffusion system using an adjoint method2022

    • Author(s)
      Patcharawat Charoen-amornkitt, Mehrzad Alizadeh, Takahiro Suzuki, Shohji Tsushima
    • Organizer
      59th National Heat Transfer Symposium of Japan
    • Related Report
      2022 Annual Research Report
  • [Presentation] A numerical approach to optimize catalyst layer structure of polymer electrolyte fuel cells using non-isothermal three-dimensional simulation2022

    • Author(s)
      Mehrzad Alizadeh, Takahiro Suzuki, Shohji Tsushima
    • Organizer
      242nd Electrochemical Society Meeting
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Improvement of PEM fuel cell performance through a topologically optimized catalyst layer structure2022

    • Author(s)
      Mehrzad Alizadeh, Takahiro Suzuki, Shohji Tsushima
    • Organizer
      9th International Fuel Cell Workshop 2022 (IFCW2022)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Investigation of irreversibilities in an electrochemical reaction-diffusion system with a topologically optimal layout2022

    • Author(s)
      Mehrzad Alizadeh, Patcharawat Charoen-amornkitt, Takahiro Suzuki, Shohji Tsushima
    • Organizer
      12th TSME-International Conference on Mechanical Engineering (TSME-ICoME 2022)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Effect of reaction and diffusion parameters on optimized porosity distribution in a reaction-diffusion system2022

    • Author(s)
      Mengly Long, Patcharawat Charoen-amornkitt, Mehrzad Alizadeh, Takahiro Suzuki, Shohji Tsushima
    • Organizer
      12th TSME-International Conference on Mechanical Engineering (TSME-ICoME 2022)
    • Related Report
      2022 Annual Research Report
    • Int'l Joint Research

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Published: 2022-04-28   Modified: 2024-12-25  

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