Experimental and kinetic modeling study of low-temperature oxidation of ethylcyclohexane

Jiabiao Zou, Xiaoyuan Zhang, Yuyang Li*, Chuangchuang Cao, Jiuzhong Yang, Fei Qi

*Corresponding author for this work

Research output: Contribution to conferencePaperpeer-review

Abstract

The gas-phase oxidation of ethylcyclohexane (ECH) is studied in a jet-stirred reactor (JSR) at atmospheric pressure, 480-780 K and equivalence ratios of 0.5, 1.0 and 2.0 using synchrotron VUV photoionization mass spectrometry. ECH presents more profound low-T reactivity than cyclohexane and methylcyclohexane. A series of oxidation intermediates are detected, including alkyl hydroperoxides, ketohydroperoxides and highly oxidized multifunctional molecules. For the first time, this work reports a low-temperature oxidation model of ethylcyclohexane, which can well capture the low-T reactivity and negative temperature coefficient (NTC) behavior in this work and literature work. Based on modeling analysis, the two-step O2 addition mechanism is concluded to dominate the chain branching in the first low-T decomposition region (560-600K) while the third O2 addition presents much less contribution to chain-branching.

Original languageEnglish (US)
StatePublished - 2019
Event12th Asia-Pacific Conference on Combustion, ASPACC 2019 - Fukuoka, Japan
Duration: Jul 1 2019Jul 5 2019

Conference

Conference12th Asia-Pacific Conference on Combustion, ASPACC 2019
Country/TerritoryJapan
CityFukuoka
Period07/1/1907/5/19

ASJC Scopus subject areas

  • General Chemical Engineering
  • Energy Engineering and Power Technology
  • Fuel Technology
  • Condensed Matter Physics

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