A wide-range experimental and kinetic modeling study of the pyrolysis and oxidation of 1-butyne

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

Research output: Contribution to journalArticlepeer-review

2 Scopus citations

Abstract

Allyl and propargyl radicals are involved in the production of the first aromatic ring, which is considered a crucial process in forming polycyclic-aromatic hydrocarbons and soot. 1-Butyne decomposes to propargyl radicals during its pyrolysis and oxidation. To improve our knowledge of the kinetics of 1-butyne, its pyrolysis, oxidation, and laminar flame speed properties have been measured. Pyrolysis experiments were performed in a single-pulse shock tube at 2 bar in the temperature range 1000 – 1600 K. Ignition delay times for 1-butyne/‘air’ mixtures were measured at pressures of 1, 10, 30, and 50 bar, in the temperature range 680 – 1580 K, at equivalence ratios of 0.5, 1.0, and 2.0 using rapid compression machines and shock tubes. Furthermore, laminar flame speeds were measured at ambient temperature, at p = 1, 2, 3 atm, over an equivalence ratio range of 0.6 – 1.9. A new detailed mechanism for 1-butyne has been developed and widely validated using the new experimental data and those available in the literature. Important reactions of 1-butyne pyrolysis and oxidation are determined through flux and sensitivity analyses.
Original languageEnglish (US)
JournalProceedings of the Combustion Institute
DOIs
StatePublished - Nov 17 2022

Bibliographical note

KAUST Repository Item: Exported on 2022-12-01
Acknowledged KAUST grant number(s): BAS/1/1337-01-01
Acknowledgements: The authors in Chinese Academy of Sciences would like to acknowledge the National Science and Technology Major Project (2017-III-0002-0026, J2019-III-0006-0049), and their work was also supported by the Youth Innovation Promotion Association, Chinese Academy of Sciences (No.2019147), and National Natural Science Foundation of China (NO.52276141). The work at the University of Galway was supported by Science Foundation Ireland (SFI) via grant awards 15/IA/3177 and 16/SP/3829. Haitao Lu acknowledges financial support from China Scholarship Council (No. 201904910754). The work at TAMU was partially supported by the university's USRG program. The work at HGD is supported by the German Research Foundation (Deutsche Forschungsgemeinschaft, DFG) through the project number – 667296 (HE7599/2-2). KAUST authors gratefully acknowledge the research funding from the project BAS/1/1337-01-01.

ASJC Scopus subject areas

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

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