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A detailed kinetic model for condensed phase reveals hypergolic mechanism of propellants for space crafts.

Research Project

Project/Area Number 20K14993
Research Category

Grant-in-Aid for Early-Career Scientists

Allocation TypeMulti-year Fund
Review Section Basic Section 25020:Safety engineering-related
Research InstitutionYokohama National University

Principal Investigator

Izato Yu-ichiro  横浜国立大学, 大学院環境情報研究院, 准教授 (90794016)

Project Period (FY) 2020-04-01 – 2023-03-31
Project Status Discontinued (Fiscal Year 2022)
Budget Amount *help
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2022: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2021: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2020: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Keywords自着火反応 / 詳細反応モデル / 液相反応 / ヒドラジン / 四酸化二窒素 / 自着火 / 詳細反応モデリング / 化学推進 / 詳細反応機構 / 凝縮相エネルギー物質 / 推進剤 / 着火 / 物性推算
Outline of Research at the Start

本研究の目的は,液相反応に関する詳細反応モデル構築技術を確立し,高速過渡的化学反応である宇宙機用推進剤の自着火現象を解析し,その安全制御を目指すものである.申請者らが独自に開発した量子化学計算/連続溶媒和モデルを修正した液相化学種の高精度熱力学データ推算法を活用し,詳細液相反応モデリング技術を構築する.これを宇宙機用2液式推進剤ヒドラジン/四酸化二窒素等の自着火反応解析に適用し,その高速・過渡的な化学反応学理を明らかにするものである.

Outline of Final Research Achievements

The goal of this study is to establish a detailed reaction model for liquid-phase reactions and to understand the chemical mechanism of the auto-ignition phenomenon of N2H4/N2O4 propellants for spacecraft, which is a high-speed transient chemical reaction. We have established the world's first detailed liquid-phase chemical reaction mechanism of N2H4/N2O4 by utilizing the quantum chemical calculation/continuous dielectric model method (QM/PCM method) and achieved a theoretical analysis of the hypergolic reaction mechanism. The liquid-phase reaction of N2H4/N2O4 evolves in a completely different reaction path from the previously known reaction mechanism in the gas phase. The detailed reaction simulation succeeded in explaining the extremely short ignition delay time observed experimentally.

Academic Significance and Societal Importance of the Research Achievements

液相反応に関する詳細反応モデルは,当該ヒドラジン/四酸化二窒素系推進剤の自着火反応のみならずこれまでほとんど報告例がなく,世界に先駆けてこれを達成したことに学術的意義がある.深宇宙探査など我が国の宇宙基本計画に基づく今後の宇宙ミッション要求に応えるため,本研究で構築したモデルやメカニズムを活用することでN2H4/N2O4推進系スラスタのより安全かつロバストな設計(例えばハードスタート現象の解明や抑止など)を支援できる.

Report

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

    (8 results)

All 2022 2021 2020

All Journal Article (3 results) (of which Peer Reviewed: 3 results,  Open Access: 1 results) Presentation (5 results) (of which Int'l Joint Research: 1 results)

  • [Journal Article] Detailed Kinetic Model for the Thermal Decomposition of Hydrazine Nitrate in Nitric Acid Solution Based on Quantum Chemistry Calculations Combined with the Polarizable Continuum Model2022

    • Author(s)
      Izato Yu-ichiro、Shiota Kento、Miyake Atsumi
    • Journal Title

      The Journal of Physical Chemistry A

      Volume: 126 Issue: 19 Pages: 2998-3005

    • DOI

      10.1021/acs.jpca.2c00629

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A detailed mechanism for the initial hypergolic reaction in liquid hydrazine/nitrogen tetroxide mixtures based on quantum chemistry calculations2021

    • Author(s)
      Izato Yu-ichiro、Shiota Kento、Miyake Atsumi
    • Journal Title

      Combustion and Flame

      Volume: 229 Pages: 111389-111389

    • DOI

      10.1016/j.combustflame.2021.02.035

    • Related Report
      2021 Annual Research Report 2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Analyses of the thermal characteristics and gaseous products of guanidine nitrate/basic copper nitrate mixtures using calorimetry with high resolution mass spectrometry2020

    • Author(s)
      Izato Yu-ichiro、Shiota Kento、Satoh Kenta、Satoh Takashi、Yahata Yukinori、Miyake Atsumi
    • Journal Title

      Journal of Analytical and Applied Pyrolysis

      Volume: 151 Pages: 104918-104918

    • DOI

      10.1016/j.jaap.2020.104918

    • NAID

      120006893217

    • Related Report
      2020 Research-status Report
    • Peer Reviewed / Open Access
  • [Presentation] Detailed kinetic modeling for liquid-phase reactions of hydrazine nitrate based on quantum chemistry calculations2021

    • Author(s)
      Izato Yu-ichiro、Shiota Kento、Miyake Atsumi
    • Organizer
      International symposium on energetic materials and their applications
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] ヒドラジン/四酸化二窒素の液相詳細反応機構2021

    • Author(s)
      伊里友一朗、塩田謙人、三宅淳巳
    • Organizer
      燃焼シンポジウム2021
    • Related Report
      2021 Annual Research Report
  • [Presentation] 連続誘電体モデルを用いた量子化学計算より算出された 水溶液中化学種のエントロピー補正2021

    • Author(s)
      伊里友一朗、塩田謙人、三宅淳巳
    • Organizer
      第57回熱測定討論会
    • Related Report
      2021 Annual Research Report
  • [Presentation] エネルギー物質の生成ガス質量分析におけるフラグメンテーション比補正2021

    • Author(s)
      伊里友一朗、塩田謙人、三宅淳巳
    • Organizer
      2021年度火薬学会春季研究発表会
    • Related Report
      2021 Annual Research Report
  • [Presentation] 第一原理計算を用いた硝酸アンモニウム(Ⅳ’相)の格子振動解析2020

    • Author(s)
      伊里友一朗, 塩田謙人, 三宅淳巳
    • Organizer
      2020年度秋季研究発表会
    • Related Report
      2020 Research-status Report

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Published: 2020-04-28   Modified: 2024-01-30  

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