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Title: Flame Propagation of Butanol Isomers/Air Mixtures

Abstract

An experimental and computational study was conducted on the propagation of flames of saturated butanol isomers. The experiments were performed in the counterflow configuration under atmospheric pressure, unburned mixture temperature of 343 K, and for a wide range of equivalence ratios. The experiments were simulated using a recent kinetic model for the four isomers of butanol. Results indicate that n-butanol/air flames propagate somewhat faster than both sec-butanol/air and iso-butanol/air flames, and that tert-butanol/air flames propagate notably slower compared to the other three isomers. Reaction path analysis of tert-butanol/air flames revealed that iso-butene is a major intermediate, which subsequently reacts to form the resonantly stable iso-butenyl radical retarding thus the overall reactivity of tert-butanol/air flames relatively to the other three isomers. Through sensitivity analysis, it was determined that the mass burning rates of sec-butanol/air and iso-butanol/air flames are sensitive largely to hydrogen, carbon monoxide, and C{sub 1}–C{sub 2} hydrocarbon kinetics and not to fuel-specific reactions similarly to n-butanol/air flames. However, for tert-butanol/air flames notable sensitivity to fuel-specific reactions exists. While the numerical results predicted closely the experimental data for n-butanol/air and sec-butanol/air flames, they overpredicted and underpredicted the laminar flame speeds for iso-butanol/air and tert-butanol/air flames respectively. It was demonstrated furthermore » that the underprediction of the laminar flame speeds of tert-butanol/air flames by the model was most likely due to deficiencies of the C{sub 4}-alkene kinetics.« less

Authors:
;
Publication Date:
Research Org.:
Energy Frontier Research Centers (EFRC); Combustion Energy Frontier Research Center (CEFRC)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1065139
DOE Contract Number:  
SC0001198
Resource Type:
Journal Article
Journal Name:
Proceedings of the Combustion Institute
Additional Journal Information:
Journal Volume: 33; Journal Issue: 1; Related Information: CEFRC partners with Princeton University (lead); Argonne National Laboratory; University of Connecticut; Cornell University; Massachusetts Institute of Technology; University of Minnesota; Sandia National Laboratories; University of Southern California; Stanford University; University of Wisconsin, Madison; Journal ID: ISSN 1540-7489
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; biofuels (including algae and biomass), hydrogen and fuel cells, combustion, carbon capture

Citation Formats

Veloo, Peter S., and Egolfopoulos, Fokion N. Flame Propagation of Butanol Isomers/Air Mixtures. United States: N. p., 2011. Web. doi:10.1016/j.proci.2010.06.163.
Veloo, Peter S., & Egolfopoulos, Fokion N. Flame Propagation of Butanol Isomers/Air Mixtures. United States. doi:10.1016/j.proci.2010.06.163.
Veloo, Peter S., and Egolfopoulos, Fokion N. Sat . "Flame Propagation of Butanol Isomers/Air Mixtures". United States. doi:10.1016/j.proci.2010.06.163.
@article{osti_1065139,
title = {Flame Propagation of Butanol Isomers/Air Mixtures},
author = {Veloo, Peter S. and Egolfopoulos, Fokion N.},
abstractNote = {An experimental and computational study was conducted on the propagation of flames of saturated butanol isomers. The experiments were performed in the counterflow configuration under atmospheric pressure, unburned mixture temperature of 343 K, and for a wide range of equivalence ratios. The experiments were simulated using a recent kinetic model for the four isomers of butanol. Results indicate that n-butanol/air flames propagate somewhat faster than both sec-butanol/air and iso-butanol/air flames, and that tert-butanol/air flames propagate notably slower compared to the other three isomers. Reaction path analysis of tert-butanol/air flames revealed that iso-butene is a major intermediate, which subsequently reacts to form the resonantly stable iso-butenyl radical retarding thus the overall reactivity of tert-butanol/air flames relatively to the other three isomers. Through sensitivity analysis, it was determined that the mass burning rates of sec-butanol/air and iso-butanol/air flames are sensitive largely to hydrogen, carbon monoxide, and C{sub 1}–C{sub 2} hydrocarbon kinetics and not to fuel-specific reactions similarly to n-butanol/air flames. However, for tert-butanol/air flames notable sensitivity to fuel-specific reactions exists. While the numerical results predicted closely the experimental data for n-butanol/air and sec-butanol/air flames, they overpredicted and underpredicted the laminar flame speeds for iso-butanol/air and tert-butanol/air flames respectively. It was demonstrated further that the underprediction of the laminar flame speeds of tert-butanol/air flames by the model was most likely due to deficiencies of the C{sub 4}-alkene kinetics.},
doi = {10.1016/j.proci.2010.06.163},
journal = {Proceedings of the Combustion Institute},
issn = {1540-7489},
number = 1,
volume = 33,
place = {United States},
year = {2011},
month = {1}
}