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Chemical Interpretation on the Multi-Stage Oxidation of Diethyl Ether

  • Contributed by the 3rd International Discussion Meeting on Chemistry and Technology of Combustion Application (CTCA 2021)
  • Published:
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Abstract

Multi-stage ignition and/or double NTC (negative temperature coefficient) behavior resulted from the low-temperature oxidation of ether compounds are still not clearly explained. We have investigated the oxidation mechanism of a stoichiometric DEE (diethyl ether)/air mixture by using a micro flow reactor with a controlled temperature profile to see the detail of low-temperature weak flame structure. The simulation was also performed to understand the chemical kinetics mechanism of observed weak flame structure. Chemiluminescence measurement showed separated weak flame in the temperature range of 600 K–800 K. The simulation also qualitatively reproduced this separated weak flame, and showed four peak of heat release. From the reaction flow analysis, it was found that (1) O-O bond scission reaction of keto-hydroperoxide produced by DEE, (2) O-O bond scission reaction of CH3O2H, CH3CO3H, and C2H5O2H, (3) O-O bond scission reaction of H2O2, and (4) H+O2=O+OH are key chain branching reactions to explain the multi-stage oxidation.

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Abbreviations

DEE:

diethyl ether

DME:

dimethyl ether

DNBE:

di-n-butyl ether

DNPE:

di-n-propyl ether

HRR:

heat release rate

ICCD:

image-intensified charge coupled device

JSR:

jet-stirred reactor

LIF:

laser-induced fluorescence

LTO:

low-temperature oxidation

MFR:

micro flow reactor with a controlled temperature profile

NTC:

negative temperature coefficient

PFR:

plug flow reactor

RCM:

rapid compression machine

References

  1. Zádor J., Taatjes C.A., Fernandes R.X., Kinetics of elementary reactions in low-temperature autoignition chemistry. Progress in Energy and Combustion Science, 2011, 37: 371–421.

    Article  Google Scholar 

  2. Battin-Leclerc F., Detailed chemical kinetic models for the low-temperature combustion of hydrocarbons with application to gasoline and diesel fuel surrogates. Progress in Energy and Combustion Science, 2008, 34: 440–498.

    Article  Google Scholar 

  3. Simmie J.M., Detailed chemical kinetic models for the combustion of hydrocarbon fuels. Progress in Energy and Combustion Science, 2003, 29: 599–634.

    Article  Google Scholar 

  4. Westbrook C.K., Chemical kinetics of hydrocarbon ignition in practical combustion systems. Proceedings of the Combustion Institute, 2000, 28: 1563–1577.

    Article  Google Scholar 

  5. Uygun Y., Ignition studies of undiluted diethyl ether in a high-pressure shock tube. Combustion and Flame, 2018, 194: 396–409.

    Article  Google Scholar 

  6. Sakai Y., Herzler J., Werler M., Schulz C., Fikri M., A quantum chemical and kinetics modeling study on the autoignition mechanism of diethyl ether. Proceedings of the Combustion Institute, 2017, 36: 195–202.

    Article  Google Scholar 

  7. Issayev G., Sarathy S.M., Farooq A., Autoignition of diethyl ether and a diethyl ether/ethanol blend. Fuel, 2020, 279: 118553.

    Article  Google Scholar 

  8. Hakimov K., Arafin F., Aljohani K., Djebbi K., Ninnemann E., Vasu S.S., Farooq A., Ignition delay time and speciation of dibutyl ether at high pressures. Combustion and Flame, 2021, 223: 98–109.

    Article  Google Scholar 

  9. Cai L., vom Lehn F., Pitsch H., Higher alcohol and ether biofuels for compression-ignition engine application: A review with emphasis on combustion kinetics. Energy Fuels, 2021, 35: 1890–1917.

    Article  Google Scholar 

  10. Thion S., Togbé C., Serinyel Z., Dayma G., Dagaut P.A., Chemical kinetic study of the oxidation of dibutyl-ether in a jet-stirred reactor. Combustion and Flame, 2017, 185: 4–15.

    Article  Google Scholar 

  11. Serinyel Z., Lailliau M., Thion S., Dayma G., Dagaut P., An experimental chemical kinetic study of the oxidation of diethyl ether in a jet-stirred reactor and comprehensive modeling. Combustion and Flame, 2018, 193: 453–462.

    Article  Google Scholar 

  12. Serinyel Z., Lailliau M., Dayma G., Dagaut P.A., High pressure oxidation study of di-n-propyl ether. Fuel, 2020, 263: 116554.

    Article  Google Scholar 

  13. Tran L.-S., Herbinet O., Li Y., Wullenkord J., Zeng M., Bräuer E., Qi F., Kohse-Höinghaus K., Battin-Leclerc F., Low temperature gas-phase oxidation of diethyl ether: Fuel reactivity and fuel-specific products. Proceedings of the Combustion Institute, 2019, 37: 511–519.

    Article  Google Scholar 

  14. Tran L.-S., Wullenkord J., Li Y., Herbinet O., Zeng M., Qi F., Kohse-Höinghaus K., Battin-Leclerc F., Probing the low temperature chemistry of di-n-butyl ether: Detection of previously unobserved intermediates. Combustion and Flame, 2019, 210: 9–24.

    Article  Google Scholar 

  15. Belhadj N., Benoit R., Dagaut P., Lailliau M., Serinyel Z., Dayma G., Oxidation of di-n-propyl ether: Characterization of low temperature products. Proceedings of the Combustion Institute, 2021, 337–344.

  16. Belhadj N., Benoit R., Dagaut P., Lailliau M., Serinyel Z., Dayma G., Khaled F., Moreau B., Foucher F., Oxidation of di-n-butyl ether: Experimental characterization of low-temperature products in JSR and RCM. Combustion and Flame, 2020, 222: 133–144.

    Article  Google Scholar 

  17. Maruta K., Kataoka T., Kim N.I., Minaev S., Fursenko R., Characteristics of combustion in a narrow channel with a temperature gradient. Proceedings of the Combustion Institute, 2005, 30: 2429–2436.

    Article  Google Scholar 

  18. Minaev S., Maruta K., Fursenko R., Nonlinear dynamics of flame in a narrow channel with a temperature gradient. Combustion Theory and Modelling, 2007, 11: 187–203.

    Article  ADS  MathSciNet  MATH  Google Scholar 

  19. Tsuboi Y., Yokomori T., Maruta K., Lower limit of weak flame in a heated channel. Proceedings of the Combustion Institute, 2009, 32: 3075–3081.

    Article  Google Scholar 

  20. Oshibe H., Nakamura H., Tezuka T., Hasegawa S., Maruta K., Stabilized three-stage oxidation of DME/air mixture in a micro flow reactor with a controlled temperature profile. Combustion and Flame, 2010, 157: 1572–1580.

    Article  Google Scholar 

  21. Yamamoto A., Oshibe H., Nakamura H., Tezuka T., Hasegawa S., Maruta K., Stabilized three-stage oxidation of gaseous n-heptane/air mixture in a micro flow reactor with a controlled temperature profile. Proceedings of the Combustion Institute, 2011, 33: 3259–3266.

    Article  Google Scholar 

  22. Shimizu T., Nakamura H., Tezuka T., Hasegawa S., Maruta K., OH and CH2O laser-induced fluorescence measurements for hydrogen flames and methane, n-butane, and dimethyl ether weak flames in a micro flow reactor with a controlled temperature profile. Energy Fuels, 2017, 31: 2298–2307.

    Article  Google Scholar 

  23. Onda T., Nakamura H., Tezuka T., Hasegawa S., Maruta K., Initial-stage reaction of methane examined by optical measurements of weak flames in a micro flow reactor with a controlled temperature profile. Combustion and Flame, 2019, 206: 292–307.

    Article  Google Scholar 

  24. CHEMKIN-PRO 17.2, ANSYS, Inc., San Diego, 2016.

  25. Grajetzki P., Onda T., Nakamura H., Tezuka T., Maruta K., Investigation of the chemical and dilution effects of major EGR constituents on the reactivity of PRF by weak flames in a micro flow reactor with a controlled temperature profile. Combustion and Flame, 2019, 209: 13–26.

    Article  Google Scholar 

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Acknowledgments

This work was supported by JSPS KAKENHI Grant Number JP16K06112 and Collaborative Research Project of the Institute of Fluid Science, Tohoku University.

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Authors and Affiliations

  1. Department of Mechanical Systems Engineering, Ibaraki University, Ibaraki, 316-8511, Japan

    Yasuyuki Sakai

  2. Institute of Fluid Science, Tohoku University, Miyagi, 980-8577, Japan

    Hisashi Nakamura, Toru Sugita & Takuya Tezuka

  3. Graduate School of Engineering, Tohoku University, Miyagi, 980-8579, Japan

    Toru Sugita

  4. Mathematics and Logistics, Jacobs University Bremen, Bremen, 28759, Germany

    Yasar Uygun

Authors
  1. Yasuyuki Sakai
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  2. Hisashi Nakamura
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  3. Toru Sugita
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  4. Takuya Tezuka
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  5. Yasar Uygun
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Correspondence to Yasuyuki Sakai.

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Sakai, Y., Nakamura, H., Sugita, T. et al. Chemical Interpretation on the Multi-Stage Oxidation of Diethyl Ether. J. Therm. Sci. 32, 513–520 (2023). https://doi.org/10.1007/s11630-022-1631-8

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  • DOI: https://doi.org/10.1007/s11630-022-1631-8

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