Journal
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-INTERNATIONAL JOURNAL OF RESEARCH IN PHYSICAL CHEMISTRY & CHEMICAL PHYSICS
Volume 229, Issue 5, Pages 759-780Publisher
WALTER DE GRUYTER GMBH
DOI: 10.1515/zpch-2014-0596
Keywords
Spectroscopy; Reaction Kinetics
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Funding
- RFBR [11-03-92503]
- CRDF [RUC2-7027-NO-11]
- Ministry of Education and Science of the Russian Federation [8186]
- US Department of Energy, Office of Vehicle Technologies and the Office of Basic Energy Sciences under auspices of the US Department of Energy [DE-AC52-07NA27344]
- Lawrence Livermore National Laboratory [DE-AC04-94-AL85000]
- Sandia Corporation
- Office of Science, BES/USDOE [DE-AC02-05CH11231]
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Detailed chemical structures of stoichiometric and rich premixed laminar flames of methyl pentanoate and methyl hexanoate were investigated over a flat burner at 20 Torr and for methyl pentanoate at 1 atm. Molecular beam mass spectrometry was used with tunable synchrotron vacuum ultraviolet (VUV) photoionization for low pressure flames of both methyl pentanoate and methyl hexanoate, and soft electron-impact ionization was used for atmospheric pressure flames of methyl pentanoate. Mole fraction profiles of stable and intermediate species, as well as temperature profiles, were measured in the flames. A detailed chemical kinetic high temperature reaction mechanism for small alkyl ester oxidation was extended to include combustion of methyl pentanoate and methyl hexanoate, and the resulting model was used to compare computed values with experimentally measured values. Reaction pathways for both fuels were identified, with good agreement between measured and computed species profiles. Implications of these results for future studies of larger alkyl ester fuels are discussed.
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