Experimental and kinetic modeling study of 1-hexene combustion at various pressures

Xiaoyun Fan, Guoqing Wang, Yuyang Li*, Zhandong Wang, Wenhao Yuan, Long Zhao

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

32 Scopus citations


The pyrolysis of 1-hexene was studied in a flow reactor by synchrotron vacuum ultraviolet photoionization mass spectrometry and gas chromatography combined with mass spectrometry at 0.04, 0.2, and 1 atm. Laminar flame speeds of 1-hexene/air mixtures at various pressures (1, 2, 5, and 10 atm) were measured at an initial temperature of 373 K and equivalence ratios from 0.7 to 1.5. A kinetic model of 1-hexene combustion with 122 species and 919 reactions was developed to investigate the key pathways in the decomposition of 1-hexene and the formation and consumption of products, as well as the chemical kinetic effects on the laminar flame propagation. The presence of double bond in 1-hexene molecule leads to the enhanced formation of resonantly stabilized radicals and unsaturated intermediates. The model was also validated against the experimental data of 1-hexene combustion from literature, including ignition delay times and species profiles in jet-stirred reactor oxidation and laminar premixed flames. The extensive validations demonstrate the applicability of the present model over a wide range of conditions, such as low to high pressures, intermediate to high temperatures, and pyrolysis to oxidation circumstances.

Original languageEnglish (US)
Pages (from-to)151-160
Number of pages10
JournalCombustion and Flame
StatePublished - Nov 1 2016

Bibliographical note

Publisher Copyright:
© 2016 The Combustion Institute


  • 1-Hexene
  • Flow reactor pyrolysis
  • Kinetic model
  • Laminar flame speeds
  • Model validation

ASJC Scopus subject areas

  • General Chemistry
  • General Chemical Engineering
  • Fuel Technology
  • Energy Engineering and Power Technology
  • General Physics and Astronomy


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