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Construction of Unified Chemical Kinetic Mechanism for Practical Hydrocarbon Fuels

Research Project

Project/Area Number 16360100
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Thermal engineering
Research InstitutionThe University of Tokyo

Principal Investigator

KOSHI Mitsuo  The University of Tokyo, Department of Chemical System Engineering, Professor, 大学院工学系研究科, 教授 (20133085)

Co-Investigator(Kenkyū-buntansha) TONOKURA Kenichi  The University of Tokyo, Environmental Science Center, Associate Professor, 環境安全研究センター, 助教授 (00260034)
Project Period (FY) 2004 – 2005
Project Status Completed (Fiscal Year 2005)
Budget Amount *help
¥14,100,000 (Direct Cost: ¥14,100,000)
Fiscal Year 2005: ¥6,600,000 (Direct Cost: ¥6,600,000)
Fiscal Year 2004: ¥7,500,000 (Direct Cost: ¥7,500,000)
Keywordsdetailed kinetic mechanism / surrogate fuels / toluene / xylene / ETBE / ethanol / iginition delay / shock tube / 詳細素反応機構 / サロゲート燃料 / 着火誘導時間 / ブタン / イソオクタン / ノルマンペンタン / 着火制御 / ディーゼル燃焼
Research Abstract

The purpose of present project is to construct detailed chemical kinetic mechanism for practical fuels. To this end, detailed chemical kinetic mechanisms of various alkane fuels have been developed. In order to validate the kinetic mechanisms, simulation results were compared with the experimental ignition delay data of various alkane fuels.
Unified kinetic mechanism for butane has been constructed at first. This mechanism could be applied for fuels containing CH4, C2H6, C3H8, n-C4H10, and iso-C4H10. Next, detailed chemical kinetic mechanism for PRF (Primary Reference Fuel ; mixtures of n-penatne and iso-octane) has been constructed by using program package KUCRS developed by Miyoshi. This mechanism was also validated with the shock tube ignition delay data Toluene combustion mechanism was also generated in this project. By combining these kinetic mechanisms for PRF and toluene, simulation of surrogate fuels for gasoline became possible. In addition, combustion mechanisms for xylenes are also constructed. There are three isomers of xylene. Kinetic differences of these three isomers are included in the present mechanism. Since ignition characteristics of hydrocarbons are very different form different isomers, it is very important to include chemical kinetic difference of these isomers.
For the fuels of next generation, addition of oxygen-containing chemical species such as alcohols and ethers is examined. In order to understand the ignition characteristics of those oxygen-containing fuels, chemical kinetic mechanisms for ethanol and ETBE (Ethyl-Tert-Butyl Ether) were also generated. Effects of addition of those oxygenated fuels to the PRF on the ignition delay times were simulated by using kinetic mechanism for the mixtures of PRF and ETBE or ethyl-archol.
Shock tube experiments to measure the ignition delay times for the fuels considered in the present study were performed. Those shock tube data were used to validate the kinetic mechanism obtained in the present study.

Report

(3 results)
  • 2005 Annual Research Report   Final Research Report Summary
  • 2004 Annual Research Report
  • Research Products

    (17 results)

All 2006 2005 2004 Other

All Journal Article (17 results)

  • [Journal Article] 含酸素化合物のオクタン価向上効果に関する基礎的検討2006

    • Author(s)
      酒井康行, 小倉鉄平, 越光男, 新井充, 金子タカシ
    • Journal Title

      自動車技術論文集 (印刷中)

    • NAID

      10022579829

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Annual Research Report 2005 Final Research Report Summary
  • [Journal Article] ディーゼル燃焼 : 着火の化学反応2005

    • Author(s)
      越光男
    • Journal Title

      自動車技術 59

      Pages: 53-55

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Water dependence of the HO_2 self reaction : Kinetics of the HO_2-H_2O complex2005

    • Author(s)
      N.Kanno, K.Tonokura, A.Tezaki, M.Koshi
    • Journal Title

      J. Phys. Chem. A109

      Pages: 3153-3158

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Nitrogen- and water broadening coefficient measurements in the 000-000 band of HO_2 using high-resolution diode laser two-tone frequency modulation spectroscopy2005

    • Author(s)
      N.Kanno, K.Tonokura, A.Tezaki, M.Koshi
    • Journal Title

      J. Mol. Spectrosc. 229

      Pages: 193-197

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Diesel combustion : chemical kinetics of ignition2005

    • Author(s)
      Mituso Koshi
    • Journal Title

      Automobile technology(in Japanese) 59

      Pages: 53-55

    • NAID

      10015507389

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Nitrogen and water broadening coefficient measurements in the 000-000 band of HO2 using high-resolution diode laser two-tone frequency modulation spectroscopy2005

    • Author(s)
      K.Kanno, K.Tonokura, A.Tezaki, M.Koshi
    • Journal Title

      Journal of Molecular Spectroscopy 229

      Pages: 193-197

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] Water dependence of the HO2 self reaction : Kinetics of the HO2-H2O Complex2005

    • Author(s)
      K.Kanno, K.Tonokura, A.Tezaki, M.Koshi
    • Journal Title

      Journal of Physical Chemistry A109

      Pages: 3153-3158

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2005 Final Research Report Summary
  • [Journal Article] ディーゼル燃焼:着火の化学反応2005

    • Author(s)
      越光男
    • Journal Title

      自動車技術 59

      Pages: 53-55

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Water dependence of the HO_2 self reaction : Kinetics of the HO_2-H_2O complex2005

    • Author(s)
      N.Kanno, K.Tonokura, A.Tezaki, M.Koshi
    • Journal Title

      J.Phys.Chem., A109

      Pages: 3153-3158

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Nitrogen- and water broadening coefficient measurements in the 000-000 band of HO_2 using high-resolution diode laser two-tone frequency modulation spectroscopy2005

    • Author(s)
      N.Kanno, K.Tonokura, A.Tezaki, M.Koshi
    • Journal Title

      J.Mol.Spectrosc. 229

      Pages: 193-197

    • Related Report
      2005 Annual Research Report
  • [Journal Article] エンジン燃料の燃焼化学反応機構2004

    • Author(s)
      越 光男
    • Journal Title

      機械の研究 56

      Pages: 1215-1215

    • NAID

      40006508223

    • Related Report
      2004 Annual Research Report
  • [Journal Article] 近赤外分光法を用いたHO2の反応追跡2004

    • Author(s)
      菅野望, 越光男, 戸野倉賢一
    • Journal Title

      分光研究 532

      Pages: 295-295

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Cavity ring-down spectroscopy of aromatic hydrocarbon radicals2004

    • Author(s)
      K.Tonokura, M.Koshi
    • Journal Title

      Recent Res.Devel.Phys.Chem. 7

      Pages: 43-43

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Near-UV absorption spectrum of the phenoxy radical and kinetics of its reaction with CH32004

    • Author(s)
      K.Tonokura, T.Ogura, M.Koshi
    • Journal Title

      J.Phys.Chem. A108

      Pages: 7801-7801

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Chemical Reactions and other behaviors of High Energetic Materials under Static Ultra High Pressures2004

    • Author(s)
      N.Goto, H.Yamawaki, K.Tonokura, K.Wakabayashi, M.Yoshida, M.Koshi
    • Journal Title

      Materials Science Forum 465

      Pages: 189-189

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Nitrogen-and water broadening coefficient measurements in the 000-000 band of HO_2 using high-resolution diode laser two-tone frequency modulation spectroscopy2004

    • Author(s)
      N.Knno, K.Tonokura, A.Tezaki, M.Koshi
    • Journal Title

      J.Mol.Spectrosc. 229

      Pages: 193-193

    • Related Report
      2004 Annual Research Report
  • [Journal Article] An elementary study of the effects of octane number improvement of oxygenated fuels

    • Author(s)
      Yasuyuki Sakai, Teppei Ogura, Mitsuo Koshi, Mitsuru Arai, Takasi Kaneko
    • Journal Title

      Proc.Automobile technology(in Japanese) (in press)

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2005 Final Research Report Summary

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Published: 2004-04-01   Modified: 2016-04-21  

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