TY - JOUR
T1 - Combustion chemistry of alcohols: Experimental and modeled structure of a premixed 2-methylbutanol flame
AU - Lucassen, Arnas
AU - Park, Sungwoo
AU - Hansen, Nils
AU - Sarathy, Mani
N1 - KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: The measurements were performed within the "Flame Team" collaboration at the Advanced Light Source and we thank the students and postdocs for the help with the data acquisition. The experiments have profited from the expert technical assistance of Paul Fugazzi. A. L. and N.H. are supported by the Energy Frontier Research Center for Combustion Science (Grant No. DE-SC0001198). S.P. and S.M.S. acknowledge funding from the Clean Combustion Research Center (CCRC) at KAUST. The Advanced Light Source is supported by the Director, Office of Science, Basic Energy Sciences, US Department of Energy, under Contract No. DE-AC02-05CH11231. Sandia is a multi-program laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the National Nuclear Security Administration under contract DE-AC04-94-AL85000.
PY - 2014/6/16
Y1 - 2014/6/16
N2 - This paper presents a detailed investigation of 2-methylbutanol combustion chemistry in low-pressure premixed flames. This chemistry is of particular interest to study because this compound is potentially a lignocellulosic-based, next-generation biofuel. The detailed chemical structure of a stoichiometric low-pressure (25 Torr) flame was determined using flame-sampling molecular-beam mass spectrometry. A total of 55 species were identified and subsequently quantitative mole fraction profiles as function of distance from the burner surface were determined. In an independent effort, a detailed flame chemistry model for 2-methylbutanol was assembled based on recent knowledge gained from combustion chemistry studies for butanol isomers ([Sarathy et al. Combust. Flame 159 (6) (2012) 2028-2055]) and iso-pentanol (3-methylbutanol) [Sarathy et al. Combust. Flame 160 (12) (2013) 2712-2728]. Experimentally determined and modeled mole fraction profiles were compared to demonstrate the model's capabilities. Examples of individual mole fraction profiles are discussed together with the most significant fuel consumption pathways to highlight the combustion chemistry of 2-methylbutanol. Discrepancies between experimental and modeling results are used to suggest areas where improvement of the kinetic model would be needed. © 2014.
AB - This paper presents a detailed investigation of 2-methylbutanol combustion chemistry in low-pressure premixed flames. This chemistry is of particular interest to study because this compound is potentially a lignocellulosic-based, next-generation biofuel. The detailed chemical structure of a stoichiometric low-pressure (25 Torr) flame was determined using flame-sampling molecular-beam mass spectrometry. A total of 55 species were identified and subsequently quantitative mole fraction profiles as function of distance from the burner surface were determined. In an independent effort, a detailed flame chemistry model for 2-methylbutanol was assembled based on recent knowledge gained from combustion chemistry studies for butanol isomers ([Sarathy et al. Combust. Flame 159 (6) (2012) 2028-2055]) and iso-pentanol (3-methylbutanol) [Sarathy et al. Combust. Flame 160 (12) (2013) 2712-2728]. Experimentally determined and modeled mole fraction profiles were compared to demonstrate the model's capabilities. Examples of individual mole fraction profiles are discussed together with the most significant fuel consumption pathways to highlight the combustion chemistry of 2-methylbutanol. Discrepancies between experimental and modeling results are used to suggest areas where improvement of the kinetic model would be needed. © 2014.
UR - http://hdl.handle.net/10754/575895
UR - https://linkinghub.elsevier.com/retrieve/pii/S154074891400011X
UR - http://www.scopus.com/inward/record.url?scp=84937144735&partnerID=8YFLogxK
U2 - 10.1016/j.proci.2014.05.008
DO - 10.1016/j.proci.2014.05.008
M3 - Article
SN - 1540-7489
VL - 35
SP - 813
EP - 820
JO - Proceedings of the Combustion Institute
JF - Proceedings of the Combustion Institute
IS - 1
ER -