Journal
COMBUSTION AND FLAME
Volume 158, Issue 9, Pages 1647-1666Publisher
ELSEVIER SCIENCE INC
DOI: 10.1016/j.combustflame.2011.02.010
Keywords
Fuel-nitrogen conversion; Biofuel; Premixed flame; Molecular-beam mass spectrometry
Categories
Funding
- Deutsche Forschungsgemeinschaft [KO 1363/18-3]
- US Department of Energy [DE-FG02-91ER14192]
- Department of Defense (DoD)
- National Center for Supercomputing Applications [TG-CTS090056]
- US DOE/BES [DE-AC02-05CH11231]
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The present study has been motivated by the need to understand and predict fuel-nitrogen conversion in the combustion of biomass-derived fuels. Within that broader context, an earlier related publication (Lucassen et al., Proc. Combust. Inst. 32 (2009) 1269-1276) has investigated morpholine (C4H9NO, 1-oxa-4-aza-cyclohexane) as a model oxygen- and nitrogen-containing biofuel, and species identification was presented for a slightly fuel-rich phi = 1.3 (C/O = 0.41) laminar premixed morpholine-oxygen-argon flame at 40 mbar. To attempt a more detailed insight into the flame structure and combustion mechanism, the present contribution has now combined photoionization (PI) and electron ionization (El) molecular-beam mass spectrometry (MBMS) to determine absolute mole-fraction profiles of numerous major and intermediate species with up to 6 heavy atoms. In general, PI-MBMS and El-MBMS results were found in good agreement. The results reveal formation of a number of intermediates that may contribute to harmful emissions, including aldehydes and several nitrogen-containing compounds in percent-level concentrations. Both NH3 and HCN pathways are seen to contribute to NO formation. To identify reaction pathways for this detailed experimental analysis, development of a flame model was started, considering a combustion mechanism for cyclohexane and analogous fuel-breakdown reactions for morpholine by addition of necessary thermodynamic, transport and kinetic parameters. The present model captures relevant features of the morpholine flame quite well, including HCN, N-2, and NO, and it can serve as a nucleus for further development of detailed combustion models for fuel-nitrogen conversion from model biofuel compounds. (C) 2011 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
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