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 C 6 H 6 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 C 3 H 4 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 10 0 0¿170 0 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 ( > 10 0 0 K), while, at intermediate temperatures (770¿10 0 0 K) propyne is the faster to ignite, and at lower temperatures (The authors acknowledge Science Foundation Ireland for funding via their Principal Investigator Program through project number 15/IA/3177 and 16/SP/3829. Jinhu Liang acknowledges the support from the National Natural Science Foundation of China (11602231), International Scientific Cooperation Projects of Key R&D Programs (201803D421101), Research Project supported by Shanxi Scholarship Council of China (2020115), and the Young Academic Leaders Support Program of North University of China (QX201810). The material for measuring flame speed is based upon work supported by the U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy (EERE) under Award Number DE-EE0007984 (Co-Optima).peer-reviewe