TY - JOUR
T1 - A further experimental and modeling study of acetaldehyde combustion kinetics
AU - Tao, Tao
AU - Kang, Shiqing
AU - Sun, Wenyu
AU - Wang, Jiaxing
AU - Liao, Handong
AU - Moshammer, Kai
AU - Hansen, Nils
AU - Law, Chung King
AU - Yang, Bin
N1 - Funding Information:
We appreciate very much the productive discussion with Dr. Philippe Dagaut. This work is supported by the National Natural Science Foundation of China (Nos. 91741109, 91541113 ). The experiments profited from the expert technical assistance of Bingjie Chen and Paul Fugazzi. This research used resources of the Advanced Light Source, supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DEAC02-05CH11231 . NH and KM were supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. Sandia National Laboratories is a multi-mission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525 .
Publisher Copyright:
© 2018 The Combustion Institute
PY - 2018/10
Y1 - 2018/10
N2 - Acetaldehyde is an important intermediate and a toxic emission in the combustion of fuels, especially for biofuels. To better understand its combustion characteristics, a detailed chemical kinetic model describing the oxidation of acetaldehyde has been developed and comprehensively validated against various types of literature data including laminar flame speeds, oxidation and pyrolysis in shock tubes, chemical structure of premixed flames, and low-temperature oxidation in jet-stirred reactors. To extend the validation range, the chemical structure of a counterflow flame fueled by acetaldehyde at 600 Torr has been measured using vacuum ultra-violet photoionization molecular-beam mass spectrometry. In addition, ignition delay times at 10 atm and 700-1100 K were measured in a rapid compression machine, and a negative temperature coefficient (NTC) behavior was observed. The present kinetic model well reproduces the results of various acetaldehyde combustion experiments covering wide ranges of temperatures (300–2300 K) and pressures (0.02–10 atm), and explains well the observed NTC behavior based on the competition between multiple oxidation pathways for the methyl radicals and their self-recombination forming ethane, a relatively stable species at temperatures below 1000 K.
AB - Acetaldehyde is an important intermediate and a toxic emission in the combustion of fuels, especially for biofuels. To better understand its combustion characteristics, a detailed chemical kinetic model describing the oxidation of acetaldehyde has been developed and comprehensively validated against various types of literature data including laminar flame speeds, oxidation and pyrolysis in shock tubes, chemical structure of premixed flames, and low-temperature oxidation in jet-stirred reactors. To extend the validation range, the chemical structure of a counterflow flame fueled by acetaldehyde at 600 Torr has been measured using vacuum ultra-violet photoionization molecular-beam mass spectrometry. In addition, ignition delay times at 10 atm and 700-1100 K were measured in a rapid compression machine, and a negative temperature coefficient (NTC) behavior was observed. The present kinetic model well reproduces the results of various acetaldehyde combustion experiments covering wide ranges of temperatures (300–2300 K) and pressures (0.02–10 atm), and explains well the observed NTC behavior based on the competition between multiple oxidation pathways for the methyl radicals and their self-recombination forming ethane, a relatively stable species at temperatures below 1000 K.
KW - Acetaldehyde
KW - Counterflow flame
KW - Ignition delay times
KW - Kinetic model
KW - Negative temperature coefficient
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U2 - 10.1016/j.combustflame.2018.06.007
DO - 10.1016/j.combustflame.2018.06.007
M3 - Article
AN - SCOPUS:85049746134
SN - 0010-2180
VL - 196
SP - 337
EP - 350
JO - Combustion and Flame
JF - Combustion and Flame
ER -