A wide-range experimental and kinetic modeling study of the pyrolysis and oxidation of 2-butyne

Haitao Lu, Fuqiang Liu*, Shashank S. Nagaraja, Shijun Dong, Mattias A. Turner, Olivier Mathieu, Eric L. Petersen, Jesús Caravaca Vilchez, Karl Alexander Heufer, Gang Xu, S. Mani Sarathy, Henry J. Curran

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

2 Scopus citations


To reduce particulate emissions leading to a cleaner environment, it is important to understand how polycyclic-aromatic hydrocarbons (PAHs) and their precursors are formed during combustion. 2-butyne can decompose to propargyl and allyl radicals. These radicals can produce benzene and other PAHs, leading to the formation of soot. In the present study, pyrolysis, oxidation, and laminar flame speed experiments were performed for 2-butyne. The pyrolysis experiments were conducted in a single-pulse shock tube at 2 bar in the temperature range 1000 – 1500 K. Ignition delay times for 2-butyne/‘air’ mixtures were measured in the pressures range 1 – 50 bar, over the temperature range 660 – 1630 K, at equivalence ratios of 0.5, 1.0, and 2.0 using rapid compression machines and shock tubes. Moreover, laminar flame speed (LFS) experiments were performed at ambient temperature, at p = 1 – 3 atm, over an equivalence ratio range of 0.6 – 1.8. A new, detailed chemical kinetic model for 2-butyne has been developed and widely validated against the data measured in this study and those available in the literature. The significant reactions for 2-butyne pyrolysis, ignition, and oxidation are identified and discussed using flux and sensitivity analyses.

Original languageEnglish (US)
Pages (from-to)157-167
Number of pages11
JournalProceedings of the Combustion Institute
Issue number1
StatePublished - Jan 2023


  • 2-Butyne
  • Ignition delay time
  • Kinetic modeling
  • Laminar flame speed
  • Pyrolysis

ASJC Scopus subject areas

  • General Chemical Engineering
  • Mechanical Engineering
  • Physical and Theoretical Chemistry


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