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. (C) 2009 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
| Original language | English (Ireland) |
|---|---|
| Pages (from-to) | 363-373 |
| Number of pages | 10 |
| Journal | Combustion And Flame |
| Volume | 157 |
| Issue number | 2 |
| DOIs | |
| Publication status | Published - 1 Feb 2010 |
UN SDGs
This output contributes to the following UN Sustainable Development Goals (SDGs)
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SDG 7 Affordable and Clean Energy
Keywords
- Bio-butanol
- Bond dissociation energy
- Butan-1-ol
- Ignition delay
- Modelling
Authors (Note for portal: view the doc link for the full list of authors)
- Authors
- Black, G;Curran, HJ;Pichon, S;Simmie, JM;Zhukov, V
- Black, G,Curran, HJ,Pichon, S,Simmie, JM,Zhukov, V
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