TY - JOUR
T1 - New insights into propanal oxidation at low temperatures
T2 - An experimental and kinetic modeling study
AU - Zhang, Xiaoyuan
AU - Li, Yuyang
AU - Cao, Chuangchuang
AU - Zou, Jiabiao
AU - Zhang, Yan
AU - Li, Wei
AU - Li, Tianyu
AU - Yang, Jiuzhong
AU - Dagaut, Philippe
N1 - Funding Information:
The authors are grateful for the funding support from the National Natural Science Foundation of China ( 51622605, 91541201, 11675111 ) and the Shanghai Science and Technology Committee (No. 17XD1402000 ).
PY - 2019
Y1 - 2019
N2 - The kinetics of propanal oxidation was studied in a jet-stirred reactor (JSR) at atmospheric pressure. The investigated temperature range is from 450 to 800?K at two different equivalence ratios (0.35 and 4.0). Thanks to the synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS), critical intermediates were identified, including methylperoxy, methyl hydroperoxide, ethylperoxy, ethyl hydroperoxide, ?-lactone, ?-propiolactone and ketohydroperoxides. A kinetic model for propanal oxidation was also developed and validated against the present experimental results, as well as those available from the literature. Main chain-branching pathways under the investigated conditions were analyzed based on present experimental data and kinetic model. The O 2 addition reaction to the propanoyl radical and subsequent oxidation reactions play an important role in determining the oxidation rate of propanal under fuel-lean conditions, especially in the low-temperature oxidation region. Under fuel-rich conditions, the decomposition of the propanoyl radical is predominant and C 2 H 5 relevant reactions consequently determine the kinetics of oxidation of propanal.
AB - The kinetics of propanal oxidation was studied in a jet-stirred reactor (JSR) at atmospheric pressure. The investigated temperature range is from 450 to 800?K at two different equivalence ratios (0.35 and 4.0). Thanks to the synchrotron vacuum ultraviolet photoionization mass spectrometry (SVUV-PIMS), critical intermediates were identified, including methylperoxy, methyl hydroperoxide, ethylperoxy, ethyl hydroperoxide, ?-lactone, ?-propiolactone and ketohydroperoxides. A kinetic model for propanal oxidation was also developed and validated against the present experimental results, as well as those available from the literature. Main chain-branching pathways under the investigated conditions were analyzed based on present experimental data and kinetic model. The O 2 addition reaction to the propanoyl radical and subsequent oxidation reactions play an important role in determining the oxidation rate of propanal under fuel-lean conditions, especially in the low-temperature oxidation region. Under fuel-rich conditions, the decomposition of the propanoyl radical is predominant and C 2 H 5 relevant reactions consequently determine the kinetics of oxidation of propanal.
KW - Ethyl oxidation
KW - Kinetic model
KW - Low-temperature oxidation
KW - Propanal
KW - SVUV-PIMS
UR - http://www.scopus.com/inward/record.url?scp=85049771565&partnerID=8YFLogxK
U2 - 10.1016/j.proci.2018.06.173
DO - 10.1016/j.proci.2018.06.173
M3 - Article
AN - SCOPUS:85049771565
SN - 1540-7489
VL - 37
SP - 565
EP - 573
JO - Proceedings of the Combustion Institute
JF - Proceedings of the Combustion Institute
IS - 1
ER -