Exploring the negative temperature coefficient behavior of acetaldehyde based on detailed intermediate measurements in a jet-stirred reactor

Tao Tao, Wenyu Sun, Nils Hansen, Ahren W. Jasper, Kai Moshammer, Bingjie Chen, Zhandong Wang, Can Huang, Philippe Dagaut, Bin Yang

Research output: Contribution to journalArticlepeer-review

15 Scopus citations

Abstract

Acetaldehyde is an observed emission species and a key intermediate produced during the combustion and low-temperature oxidation of fossil and bio-derived fuels. Investigations into the low-temperature oxidation chemistry of acetaldehyde are essential to develop a better core mechanism and to better understand auto-ignition and cool flame phenomena. Here, the oxidation of acetaldehyde was studied at low-temperatures (528–946 K) in a jet-stirred reactor (JSR) with the corrected residence time of 2.7 s at 700 Torr. This work describes a detailed set of experimental results that capture the negative temperature coefficient (NTC) behavior in the low-temperature oxidation of acetaldehyde. The mole fractions of 28 species were measured as functions of the temperature by employing a vacuum ultra-violet photoionization molecular-beam mass spectrometer. To explain the observed NTC behavior, an updated mechanism was proposed, which well reproduces the concentration profiles of many observed peroxide intermediates. The kinetic analysis based on the updated mechanism reveals that the NTC behavior of acetaldehyde oxidation is caused by the competition between the O-addition to and the decomposition of the CHCO radical.
Original languageEnglish (US)
Pages (from-to)120-129
Number of pages10
JournalCombustion and Flame
Volume192
DOIs
StatePublished - Mar 20 2018

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