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

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 single-pulse 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 (770-100 0 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. (C) 2021 The Authors. Published by Elsevier Inc. on behalf of The Combustion Institute.

Automated summary

This study investigates the pyrolysis and oxidation characteristics of allene and propyne, and finds that at high temperatures the ignition delay times of both isomers are similar, while propyne ignites more easily at low temperatures. Additionally, it is observed that allene dissociates faster than propyne during the pyrolysis process.