Detailed chemical kinetics modeling for the combustion of ether compounds in internal combustion engines

2018 Fiscal Year Final Research Report

• Project/Area Number: 16K06112
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Research Field: Thermal engineering
• Research Institution: University of Fukui
• Principal Investigator: SAKAI YASUYUKI 福井大学, 学術研究院工学系部門, 准教授 (70511088)
• Project Period (FY): 2016-04-01 – 2019-03-31
• Keywords: 燃焼 / 内燃機関 / 自着火 / 詳細反応機構

Outline of Final Research Achievements

The rate constants in the low and high-temperature oxidation mechanism of ether compounds were calculated by using quantum chemical and chemical kinetics methods. From the comparisons of rate constants in alkane oxidation, it was found that the rate constants for the reactions with carbon atom next to ether oxygen atom has a large difference from those of alkane. By using these calculated rate constants, we have developed a detailed chemical kinetics model for the oxidation of diethylether. This model well reproduces the measured ignition delay times relevant to the temperature and pressure conditions in internal combustion engines, and also predicts the two distinct peak of heat release from the low-temperature oxidation. It was also shown from reaction path and sensitivity analysis that the beta fission reactions of alkyl-type radical, and beta fission reaction and cyclic-ether formation reaction of hydroxyalkylperoxy type radicals are important for the prediction of ignition.

Free Research Field

燃焼の化学反応モデリング

Academic Significance and Societal Importance of the Research Achievements

ジエチルエーテルを代表としたエーテル化合物の低温及び高温酸化反応の詳細な素反応過程を明らかにした点，ジエチルエーテルの冷炎が二段に分離する実験事実を化学反応モデルで再現することができた点は学術的に意義がある．このような燃料の化学反応に着目した研究は，内燃機関における異常燃焼や煤生成などの現象解明や予測，より高効率・クリーンな次世代の内燃機関とそれを実現する燃料を探索する上で重要なものであり，産業界からも期待されている．