Exploring the low-temperature oxidation chemistry of 1-butene and i-butene triggered by dimethyl ether

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

*Corresponding author for this work

Research output: Contribution to conferencePaperpeer-review

9 Scopus citations

Abstract

The low-temperature oxidation chemistry of alkenes, 1-butene, and i-butene oxidation experiments triggered by dimethyl ether (DME) were studied in a jet-stirred reactor at 790 Torr, 500 K–725 K and the equivalence ratio of 0.35. Low-temperature oxidation intermediates involved in alcoholic radical chemistry and allylic radical chemistry were detected using synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS). To better interpret the experimental data, a kinetic model was proposed based on low-temperature oxidation model of DME and comprehensive oxidation models of 1-butene and i-butene in literature. Based on present experimental results and modeling analysis, alcoholic radical chemistry initiated by OH addition is mainly responsible for the low-temperature chain propagation of butenes, since the Waddington mechanism plays a dominant role compared with the chain-branching pathways through the second O2 addition. Allylic radical + HO2. reactions producing alkenyl hydroperoxides and fuel + O2 served as the major chain-branching and chain-termination pathways, respectively, and they were competitive in the negative temperature coefficient region. Meanwhile, chain-branching pathways originating from allylic radical + O2 and alkyl-like radical + O2 reactions had little contribution to the OH formation. Comparison with the simulation results of butane/DME mixtures demonstrated that butenes could largely inhibit the reactivity of DME at low temperatures due to its reduced low-temperature chain-branching process.

Original languageEnglish (US)
Pages289-298
Number of pages10
DOIs
StatePublished - 2021
Event38th International Symposium on Combustion, 2021 - Adelaide, Australia
Duration: Jan 24 2021Jan 29 2021

Conference

Conference38th International Symposium on Combustion, 2021
Country/TerritoryAustralia
CityAdelaide
Period01/24/2101/29/21

Keywords

  • 1-butene and i-butene
  • Jet-stirred reactor
  • Kinetic model
  • Low-temperature oxidation chemistry
  • SVUV-PIMS

ASJC Scopus subject areas

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

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