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Dual Fuel Reaction Mechanism 2.0 including NO x Formation and Laminar Flame Speed Calculations Using Methane/Propane/ n -Heptane Fuel Blends

Author

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  • Sebastian Schuh

    (Institute of Chemical, Environmental and Bioscience Engineering, TU Wien, Getreidemarkt 9/166, 1060 Vienna, Austria)

  • Franz Winter

    (Institute of Chemical, Environmental and Bioscience Engineering, TU Wien, Getreidemarkt 9/166, 1060 Vienna, Austria)

Abstract

This study presents the further development of the TU Wien dual fuel mechanism, which was optimized for simulating ignition and combustion in a rapid compression expansion machine (RCEM) in dual fuel mode using diesel and natural gas at pressures higher than 60 bar at the start of injection. The mechanism is based on the Complete San Diego mechanism with n -heptane extension and was attuned to the RCEM measurements to achieve high agreement between experiments and simulation. This resulted in a specific application area. To obtain a mechanism for a wider parameter range, the Arrhenius parameter changes performed were analyzed and updated. Furthermore, the San Diego nitrogen sub-mechanism was added to consider NO x formation. The ignition delay time-reducing effect of propane addition to methane was closely examined and improved. To investigate the propagation of the flame front, the laminar flame speed of methane–air mixtures was simulated and compared with measured values from literature. Deviations at stoichiometric and fuel-rich conditions were found and by further mechanism optimization reduced significantly. To be able to justify the parameter changes performed, the resulting reaction rate coefficients were compared with data from the National Institute of Standards and Technology chemical kinetics database.

Suggested Citation

  • Sebastian Schuh & Franz Winter, 2020. "Dual Fuel Reaction Mechanism 2.0 including NO x Formation and Laminar Flame Speed Calculations Using Methane/Propane/ n -Heptane Fuel Blends," Energies, MDPI, vol. 13(4), pages 1-31, February.
    • Handle: RePEc:gam:jeners:v:13:y:2020:i:4:p:778-:d:319125
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    References listed on IDEAS

    as
    1. Li, Yu & Li, Hailin & Guo, Hongsheng & Li, Yongzhi & Yao, Mingfa, 2017. "A numerical investigation on methane combustion and emissions from a natural gas-diesel dual fuel engine using CFD model," Applied Energy, Elsevier, vol. 205(C), pages 153-162.
    2. Sebastian Schuh & Ajoy Kumar Ramalingam & Heiko Minwegen & Karl Alexander Heufer & Franz Winter, 2019. "Experimental Investigation and Benchmark Study of Oxidation of Methane–Propane–n-Heptane Mixtures at Pressures up to 100 bar," Energies, MDPI, vol. 12(18), pages 1-20, September.
    3. Lucas Eder & Marko Ban & Gerhard Pirker & Milan Vujanovic & Peter Priesching & Andreas Wimmer, 2018. "Development and Validation of 3D-CFD Injection and Combustion Models for Dual Fuel Combustion in Diesel Ignited Large Gas Engines," Energies, MDPI, vol. 11(3), pages 1-23, March.
    4. Sebastian Schuh & Jens Frühhaber & Thomas Lauer & Franz Winter, 2019. "A Novel Dual Fuel Reaction Mechanism for Ignition in Natural Gas–Diesel Combustion," Energies, MDPI, vol. 12(22), pages 1-32, November.
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