| 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 |
