An experimental and detailed kinetic modeling study of the pyrolysis and oxidation of allene and propyne over a wide range of conditions

Panigrahy, Snehasish; Liang, Jinhu; Ghosh, Manik Kumer; Wang, Quan-De; Zuo, Zhaohong; Nagaraja, Shashank; Mohamed, A. El-Sabor; Kim, Gihun; Vasu, Subith S.; Curran, Henry J.

doi:10.1016/j.combustflame.2021.111578

An experimental and detailed kinetic modeling study of the pyrolysis and oxidation of allene and propyne over a wide range of conditions

Journal Article · Tue Jul 27 00:00:00 EDT 2021 · Combustion and Flame

DOI:https://doi.org/10.1016/j.combustflame.2021.111578· OSTI ID:1976986

Panigrahy, Snehasish ^[1]; Liang, Jinhu ^[2]; Ghosh, Manik Kumer ^[3]; ^[4]; Zuo, Zhaohong ^[5]; ^[3]; Mohamed, A. El-Sabor ^[3]; Kim, Gihun ^[6]; Vasu, Subith S. ^[6]; Curran, Henry J. ^[3]

University of Galway (Ireland); OSTI
University of Galway (Ireland); North University of China, Taiyuan (China)
University of Galway (Ireland)
University of Galway (Ireland); China Univ. of Mining and Technology, Xuzhou, Jiangsu (China)
University of Galway (Ireland); Chongqing University (China)
University of Central Florida, Orlando, FL (United States)

Allene and propyne are important intermediates in the pyrolysis and oxidation of higher hydrocarbon fuels, and they are also a major source of propargyl radical formation, which can recombine into different C₆H₆ isomers and finally produce soot. In a prior work (Panigrahy et al., “A comprehensive experimental and improved kinetic modeling study on the pyrolysis and oxidation of propyne”, Proc. Combust. Inst 38 (2021)), the pyrolysis, ignition , and laminar flame speed of propyne were investigated. To understand the kinetic features of initial fuel breakdown and oxidation of the two C₃H₄ isomers, new measurements for allene pyrolysis and oxidation are conducted in the present paper at the same operating conditions as those studied previously for propyne. Ignition delay times of allene are measured using a high-pressure shock tube and a heated twin-opposed piston rapid compression machine in the temperature range 690– 1450 K at equivalence ratios of 0.5, 1.0 and 2.0 in ‘air’, and at pressures of 10 and 30 bar. Pyrolysis species measurements of allene and propyne are also performed using a gas chromatography integrated singlepulse shock tube in the temperature range 1000–1700 K at pressure of 2 and 5 bar. Furthermore, laminar flame speeds of allene are measured at elevated gas temperatures of 373 K at pressures of 1 and 2 bar for a wide range of equivalence ratios from 0.6 to 1.5. A newly updated kinetic mechanism developed for this study is the first model that can well reproduce all of the experimental results for both allene and propyne. It is observed that in the pyrolysis process, allene dissociates faster than propyne. Both isomers exhibit similar ignition delay times at high temperatures (>1000 K), while, at intermediate temperatures (770–1000 K) propyne is the faster to ignite, and at lower temperatures (< 770 K) allene becomes more reactive. Furthermore, laminar flame speeds for propyne are found to be slightly faster than those for allene under the conditions studied in this work

View Accepted Manuscript (DOE)

Research Organization:: University of Central Florida, Orlando, FL (United States)

Sponsoring Organization:: USDOE Office of Energy Efficiency and Renewable Energy (EERE); Science Foundation Ireland; National Natural Science Foundation of China; Shanxi Scholarship Council of China; North University of China

Grant/Contract Number:: EE0007984

OSTI ID:: 1976986

Journal Information:: Combustion and Flame, Journal Name: Combustion and Flame Journal Issue: C Vol. 233; ISSN 0010-2180

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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laminar flame speed
propyne
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An experimental and detailed kinetic modeling study of the pyrolysis and oxidation of allene and propyne over a wide range of conditions

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