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Elucidating the growth mechanism of aromatic hydrocarbons at high temperatures

Research Project

Project/Area Number 20K04318
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Review Section Basic Section 19020:Thermal engineering-related
Research InstitutionNational Institute of Advanced Industrial Science and Technology

Principal Investigator

Matsugi Akira  国立研究開発法人産業技術総合研究所, エネルギー・環境領域, 主任研究員 (90634668)

Project Period (FY) 2020-04-01 – 2024-03-31
Project Status Completed (Fiscal Year 2023)
Budget Amount *help
¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000)
Fiscal Year 2022: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2021: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2020: ¥2,990,000 (Direct Cost: ¥2,300,000、Indirect Cost: ¥690,000)
Keywords高温化学反応 / 衝撃波管 / 過渡吸収分光法 / 芳香族化合物 / 単分子反応論 / マスター方程式 / 芳香族炭化水素 / 反応速度論
Outline of Research at the Start

高温環境における炭化水素分子の成長メカニズムを解明するために、分子成長に寄与する化学反応機構の研究を行う。燃焼などの高温場から生じる多環芳香族化合物や粒子状物質の生成過程を理解しモデル化することは、分子成長や核生成といった物理化学的課題の解明につながるとともに、低環境負荷の燃焼機器開発にも貢献する。本研究では、分子成長に寄与する芳香族化合物の高温反応を実験的に観測し、理論計算による検討と合わせ反応速度や反応経路について解析することで、その複雑な反応過程を解明する。

Outline of Final Research Achievements

To elucidate the reaction mechanisms for the hydrocarbon growth in high temperature environments, the experimental and theoretical studies have been conducted on the reaction mechanisms of some aromatic hydrocarbons. Experimentally, aromatic compounds were pyrolyzed using a high repetition rate shock tube, and the behavior of the intermediate species produced by the pyrolysis was probed by transient absorption spectroscopy. The results were analyzed with detailed kinetic models to elucidate the reaction mechanism. In the theoretical study, unimolecular reaction theory was applied to the reactions involved in the growth of aromatic compounds. In particular, the reaction mechanisms for the formation of tricyclic compounds from the recombination reactions of hydrocarbon radicals were elucidated.

Academic Significance and Societal Importance of the Research Achievements

炭化水素化合物の燃焼および熱分解過程において進行する分子成長反応のメカニズムを解明することは、低環境負荷な燃焼技術の研究開発をはじめ多くの応用に資する重要な課題である。本研究では、芳香族化合物の熱分解に起因する様々な反応挙動を実験的に追跡するとともに、芳香族ラジカル種が関与するいくつかの分子成長反応の反応経路を明らかにしたことで、芳香族化合物およびラジカルの反応機構に関する新たな知見が得られた。これらは、燃焼における芳香族化合物の反応過程と多環芳香族炭化水素の生成に関する化学反応モデルの信頼性向上に貢献する成果である。

Report

(5 results)
  • 2023 Annual Research Report   Final Research Report ( PDF )
  • 2022 Research-status Report
  • 2021 Research-status Report
  • 2020 Research-status Report
  • Research Products

    (8 results)

All 2024 2022 2021 2020

All Journal Article (6 results) (of which Peer Reviewed: 6 results) Presentation (2 results)

  • [Journal Article] Multiple-well master equation study on the propargyl?+?indenyl recombination and subsequent reactions2024

    • Author(s)
      Matsugi Akira、Suzuki Shunsuke
    • Journal Title

      Combustion and Flame

      Volume: 259 Pages: 113143-113143

    • DOI

      10.1016/j.combustflame.2023.113143

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Ring Growth Mechanism in the Reaction between Fulvenallenyl and Cyclopentadienyl Radicals2024

    • Author(s)
      Matsugi Akira、Suzuki Shunsuke
    • Journal Title

      The Journal of Physical Chemistry A

      Volume: 128 Issue: 7 Pages: 1327-1338

    • DOI

      10.1021/acs.jpca.3c07441

    • Related Report
      2023 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Potential Nonstatistical Effects on the Unimolecular Decomposition of H2O22022

    • Author(s)
      Akira Matsugi
    • Journal Title

      J. Phys. Chem. A

      Volume: 126 Issue: 27 Pages: 4482-4496

    • DOI

      10.1021/acs.jpca.2c03501

    • Related Report
      2022 Research-status Report
    • Peer Reviewed
  • [Journal Article] Modeling third-body effects in the thermal decomposition of H2O22021

    • Author(s)
      Akira Matsugi
    • Journal Title

      Combustion and Flame

      Volume: 225 Pages: 444-452

    • DOI

      10.1016/j.combustflame.2020.11.019

    • Related Report
      2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Two-Dimensional Master Equation Modeling of Some Multichannel Unimolecular Reactions2021

    • Author(s)
      Akira Matsugi
    • Journal Title

      J. Phys. Chem. A

      Volume: 125 Issue: 12 Pages: 2532-2545

    • DOI

      10.1021/acs.jpca.1c00666

    • Related Report
      2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Modeling Collisional Transitions in Thermal Unimolecular Reactions: Successive Trajectories and Two-Dimensional Master Equation for Trifluoromethane Decomposition in an Argon Bath2020

    • Author(s)
      Akira Matsugi
    • Journal Title

      J. Phys. Chem. A

      Volume: 124 Issue: 33 Pages: 6645-6659

    • DOI

      10.1021/acs.jpca.0c05906

    • Related Report
      2020 Research-status Report
    • Peer Reviewed
  • [Presentation] フェニルラジカルとオルトベンザインの熱分解反応2022

    • Author(s)
      松木 亮
    • Organizer
      第60回燃焼シンポジウム
    • Related Report
      2022 Research-status Report
  • [Presentation] 高繰り返し衝撃波管による高温化学反応の研究2021

    • Author(s)
      松木 亮
    • Organizer
      2021年度衝撃波シンポジウム
    • Related Report
      2021 Research-status Report

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Published: 2020-04-28   Modified: 2025-01-30  

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