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Title: Autoignition of methyl butanoate under engine relevant conditions

Authors:
ORCiD logo;
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC) (United States). Combustion Energy Frontier Research Center (CEFRC)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1369808
DOE Contract Number:
SC0001198
Resource Type:
Journal Article
Resource Relation:
Journal Name: Combustion and Flame; Journal Volume: 171; Related Information: CEFRC partners with Princeton University (lead); Argonne National Laboratory; University of Connecticut; Cornell University; Massachusetts Institute of Technology; University of Minnesota; Sandia National Laboratories; University of Southern California; Stanford University; University of Wisconsin, Madison
Country of Publication:
United States
Language:
English

Citation Formats

Kumar, Kamal, and Sung, Chih-Jen. Autoignition of methyl butanoate under engine relevant conditions. United States: N. p., 2016. Web. doi:10.1016/j.combustflame.2016.04.011.
Kumar, Kamal, & Sung, Chih-Jen. Autoignition of methyl butanoate under engine relevant conditions. United States. doi:10.1016/j.combustflame.2016.04.011.
Kumar, Kamal, and Sung, Chih-Jen. 2016. "Autoignition of methyl butanoate under engine relevant conditions". United States. doi:10.1016/j.combustflame.2016.04.011.
@article{osti_1369808,
title = {Autoignition of methyl butanoate under engine relevant conditions},
author = {Kumar, Kamal and Sung, Chih-Jen},
abstractNote = {},
doi = {10.1016/j.combustflame.2016.04.011},
journal = {Combustion and Flame},
number = ,
volume = 171,
place = {United States},
year = 2016,
month = 9
}
  • The ignition delay of homogeneous methane/air mixtures enriched with small fractions of ethane/propane was measured using the reflected-shock technique at temperatures from 900 to 1400 K and pressures from 16 to 40 bar. The results show complex effects of ethane/propane on the ignition of methane, but a common trend observed with both hydrocarbons is an increased promotion effect for temperatures below 1100 K. A detailed kinetic mechanism was used to investigate the interaction between ethane/propane and the ignition chemistry of methane under the above conditions. It was found that at relatively low temperatures, the reactions between ethane/propane and methylperoxy (CH{submore » 3}O{sub 2}) lead to an enhanced rate of formation of OH radicals in the initiation phase of the ignition. By systematically applying the quasi-steady-state assumptions to the intermediate species involved in the main reaction path identified, we have achieved an analytical description of the ignition process in the transitional temperature regime. The analytical solutions agree reasonably well with the detailed kinetic model and the experimental results for both ignition delay and concentrations of major intermediate species.« less
  • The autoignition of methyl butanoate has been studied at 1 and 4 atm in a shock tube over the temperature range 1250-1760 K at equivalence ratios of 1.5, 1.0, 0.5, and 0.25 at fuel concentrations of 1.0 and 1.5%. These measurements are complemented by autoignition data from a rapid compression machine over the temperature range 640-949 K at compressed gas pressures of 10, 20, and 40 atm and at varying equivalence ratios of 1.0, 0.5, and 0.33 using fuel concentrations of 1.59 and 3.13%. The autoignition of methyl butanoate is observed to follow Arrhenius-like temperature dependence over all conditions studied.more » These data, together with speciation data reported in the literature in a flow reactor, a jet-stirred reactor, and an opposed-flow diffusion flame, were used to produce a detailed chemical kinetic model. It was found that the model correctly simulated the effect of change in equivalence ratio, fuel fraction, and pressure for shock tube ignition delays. The agreement with rapid compression machine ignition delays is less accurate, although the qualitative agreement is reasonable. The model reproduces most speciation data with good accuracy. In addition, the important reaction pathways over each regime have been elucidated by both sensitivity and flux analyses. (author)« less
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