Bio-butanol: Combustion properties and detailed chemical kinetic model |
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| Authors: | G Black HJ Curran S Pichon JM Simmie V Zhukov |
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| Affiliation: | 1. German Aerospace Center (DLR), Institute of Combustion Technology, 70569 Stuttgart, Germany;2. Combustion Research Facility, Sandia National Laboratories, Livermore, CA 94551, USA;3. Physikalisch-Technische Bundesanstalt, Department of Physical Chemistry, Bundesallee 100, 38116 Braunschweig, Germany;4. Center for Combustion Energy and Department of Energy and Power Engineering, Tsinghua University, Beijing 100084, China |
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| 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. |
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