Journal
COMBUSTION AND FLAME
Volume 157, Issue 2, Pages 363-373Publisher
ELSEVIER SCIENCE INC
DOI: 10.1016/j.combustflame.2009.07.007
Keywords
Bio-butanol; Modelling; Ignition delay; Bond dissociation energy; Butan-1-ol
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Funding
- EU [ENK6-CT2002-505116, MKTD-CT-2004-517248]
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Autoignition delay time measurements were performed at equivalence ratios of 0.5, 1 and 2 for butan-1-ol at reflected shock pressures of 1, 2.6 and 8 atm at temperatures from 1100 to 1800 K. High-level ab initio calculations were used to determine enthalpies of formation and consequently bond dissociation energies for each bond in the alcohol. A detailed chemical kinetic model consisting of 1399 reactions involving 234 species was constructed and tested against the delay times and also against recent jet-stirred reactor speciation data with encouraging results. The importance of enol chemistry is highlighted. (C) 2009 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
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