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Publication

Title:Bio-butanol: Combustion properties and detailed chemical kinetic model
Authors:G. Black, H. J. Curran, S. Pichon, J.M. Simmie, V. Zhukov, 2010
Abstract: 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.
ICHEC Project:BurnQuest: Towards a World Class Combustion Chemistry Centre
Publication:Combustion and Flame 157(1): 363–373
URL: http://dx.doi.org/10.1016/j.combustflame.2009.07.007
Keywords: Bio-butanol; Modelling; Ignition delay; Bond dissociation energy; Butan-1-ol
Status: Published

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