Combustion chemistry of alcohols: Experimental and modeled structure of a premixed 2-methylbutanol flame

Handle URI:
http://hdl.handle.net/10754/575895
Title:
Combustion chemistry of alcohols: Experimental and modeled structure of a premixed 2-methylbutanol flame
Authors:
Lucassen, Arnas; Park, Sungwoo ( 0000-0002-2800-1908 ) ; Hansen, Nils; Sarathy, Mani ( 0000-0002-3975-6206 )
Abstract:
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.
KAUST Department:
Mechanical Engineering Program; Physical Sciences and Engineering (PSE) Division; Chemical and Biological Engineering Program; Clean Combustion Research Center
Publisher:
Elsevier BV
Journal:
Proceedings of the Combustion Institute
Issue Date:
14-Jun-2014
DOI:
10.1016/j.proci.2014.05.008
Type:
Article
ISSN:
15407489
Sponsors:
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.
Appears in Collections:
Articles; Physical Sciences and Engineering (PSE) Division; Physical Sciences and Engineering (PSE) Division; Chemical and Biological Engineering Program; Chemical and Biological Engineering Program; Mechanical Engineering Program; Mechanical Engineering Program; Clean Combustion Research Center; Clean Combustion Research Center

Full metadata record

DC FieldValue Language
dc.contributor.authorLucassen, Arnasen
dc.contributor.authorPark, Sungwooen
dc.contributor.authorHansen, Nilsen
dc.contributor.authorSarathy, Manien
dc.date.accessioned2015-08-25T06:18:27Zen
dc.date.available2015-08-25T06:18:27Zen
dc.date.issued2014-06-14en
dc.identifier.issn15407489en
dc.identifier.doi10.1016/j.proci.2014.05.008en
dc.identifier.urihttp://hdl.handle.net/10754/575895en
dc.description.abstractThis 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.en
dc.description.sponsorshipThe 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.en
dc.publisherElsevier BVen
dc.subject2-Methylbutanolen
dc.subjectAlcohol combustionen
dc.subjectBiofuelsen
dc.subjectKinetic modelingen
dc.subjectMass spectrometryen
dc.titleCombustion chemistry of alcohols: Experimental and modeled structure of a premixed 2-methylbutanol flameen
dc.typeArticleen
dc.contributor.departmentMechanical Engineering Programen
dc.contributor.departmentPhysical Sciences and Engineering (PSE) Divisionen
dc.contributor.departmentChemical and Biological Engineering Programen
dc.contributor.departmentClean Combustion Research Centeren
dc.identifier.journalProceedings of the Combustion Instituteen
dc.contributor.institutionCombustion Research Facility, Sandia National Laboratories, 7011 East Avenue, Livermore, CA 94550, USAen
kaust.authorPark, Sungwooen
kaust.authorSarathy, Manien
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