A study on ethanol oxidation kinetics in laminar premixed flames, flow reactors, and shock tubes

F. N. Egolfopoulos; D. X. Du; C. K. Law

doi:10.1016/S0082-0784(06)80101-3

A study on ethanol oxidation kinetics in laminar premixed flames, flow reactors, and shock tubes

F. N. Egolfopoulos, D. X. Du, C. K. Law

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201 Scopus citations

Abstract

A comprehensive experimental and numerical study on ethanol oxidation kinetics has been conducted. The laminar flame speeds of ethanol/air mixtures were determined by using the counterflow twin-flame technique at 1 atm pressure and for initial mixture temperatures between 363 and 453 K. A detailed kinetic scheme was subsequently compiled by grafting the latest information on ethanol kinetics onto a previously developed methanol scheme, and was found to be self-consistent in that it closely predicts not only the experimental laminar flame speeds of ethanol, but also those of methane, methanol, and all the C₂-hydrocarbons. Further recognizing that prediction of the laminar flame speeds is not sufficient for the satisfactory validation of a kinetic mechanism, the present scheme has also been tested against experimental data in the literature on the species and temperature profiles in flow reactors and on the ignition delay times in shock tubes. Such studies demonstrate the importance of the CH₃ and HO₂ radical chemistry, and the present results suggest that the rate of CH₃+HO₂→ CH₃O+OH may be slower while that of CH₃+HO₂→CH₄+O₂ may be faster than values frequently used in recent literature.

Original language	English (US)
Pages (from-to)	833-841
Number of pages	9
Journal	Symposium (International) on Combustion
Volume	24
Issue number	1
DOIs	https://doi.org/10.1016/S0082-0784(06)80101-3
State	Published - 1992
Externally published	Yes

All Science Journal Classification (ASJC) codes

General Chemical Engineering
Fuel Technology
Energy Engineering and Power Technology
Mechanical Engineering
Physical and Theoretical Chemistry
Fluid Flow and Transfer Processes

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10.1016/S0082-0784(06)80101-3

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title = "A study on ethanol oxidation kinetics in laminar premixed flames, flow reactors, and shock tubes",

abstract = "A comprehensive experimental and numerical study on ethanol oxidation kinetics has been conducted. The laminar flame speeds of ethanol/air mixtures were determined by using the counterflow twin-flame technique at 1 atm pressure and for initial mixture temperatures between 363 and 453 K. A detailed kinetic scheme was subsequently compiled by grafting the latest information on ethanol kinetics onto a previously developed methanol scheme, and was found to be self-consistent in that it closely predicts not only the experimental laminar flame speeds of ethanol, but also those of methane, methanol, and all the C2-hydrocarbons. Further recognizing that prediction of the laminar flame speeds is not sufficient for the satisfactory validation of a kinetic mechanism, the present scheme has also been tested against experimental data in the literature on the species and temperature profiles in flow reactors and on the ignition delay times in shock tubes. Such studies demonstrate the importance of the CH3 and HO2 radical chemistry, and the present results suggest that the rate of CH3+HO2→ CH3O+OH may be slower while that of CH3+HO2→CH4+O2 may be faster than values frequently used in recent literature.",

author = "Egolfopoulos, {F. N.} and Du, {D. X.} and Law, {C. K.}",

note = "Funding Information: This research was supported in part by the Army Research Office and the National Science Foundation. It is a pleasure to acknowledge the helpful discussions with and constructive comments by Dr. K. Brezinsky, Professor F. L. Dryer, Professor W. C. Gardiner, and Dr. T. S. Norton. We also wish to specially thank Professor F. L. Dryer for an advance copy of Ref. 7 and Drs. H-H. Grotheer and Th. Just for their comments on the kinetic scheme.",

year = "1992",

doi = "10.1016/S0082-0784(06)80101-3",

language = "English (US)",

volume = "24",

pages = "833--841",

journal = "Symposium (International) on Combustion",

issn = "0082-0784",

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AU - Egolfopoulos, F. N.

AU - Du, D. X.

AU - Law, C. K.

N1 - Funding Information: This research was supported in part by the Army Research Office and the National Science Foundation. It is a pleasure to acknowledge the helpful discussions with and constructive comments by Dr. K. Brezinsky, Professor F. L. Dryer, Professor W. C. Gardiner, and Dr. T. S. Norton. We also wish to specially thank Professor F. L. Dryer for an advance copy of Ref. 7 and Drs. H-H. Grotheer and Th. Just for their comments on the kinetic scheme.

PY - 1992

Y1 - 1992

N2 - A comprehensive experimental and numerical study on ethanol oxidation kinetics has been conducted. The laminar flame speeds of ethanol/air mixtures were determined by using the counterflow twin-flame technique at 1 atm pressure and for initial mixture temperatures between 363 and 453 K. A detailed kinetic scheme was subsequently compiled by grafting the latest information on ethanol kinetics onto a previously developed methanol scheme, and was found to be self-consistent in that it closely predicts not only the experimental laminar flame speeds of ethanol, but also those of methane, methanol, and all the C2-hydrocarbons. Further recognizing that prediction of the laminar flame speeds is not sufficient for the satisfactory validation of a kinetic mechanism, the present scheme has also been tested against experimental data in the literature on the species and temperature profiles in flow reactors and on the ignition delay times in shock tubes. Such studies demonstrate the importance of the CH3 and HO2 radical chemistry, and the present results suggest that the rate of CH3+HO2→ CH3O+OH may be slower while that of CH3+HO2→CH4+O2 may be faster than values frequently used in recent literature.

AB - A comprehensive experimental and numerical study on ethanol oxidation kinetics has been conducted. The laminar flame speeds of ethanol/air mixtures were determined by using the counterflow twin-flame technique at 1 atm pressure and for initial mixture temperatures between 363 and 453 K. A detailed kinetic scheme was subsequently compiled by grafting the latest information on ethanol kinetics onto a previously developed methanol scheme, and was found to be self-consistent in that it closely predicts not only the experimental laminar flame speeds of ethanol, but also those of methane, methanol, and all the C2-hydrocarbons. Further recognizing that prediction of the laminar flame speeds is not sufficient for the satisfactory validation of a kinetic mechanism, the present scheme has also been tested against experimental data in the literature on the species and temperature profiles in flow reactors and on the ignition delay times in shock tubes. Such studies demonstrate the importance of the CH3 and HO2 radical chemistry, and the present results suggest that the rate of CH3+HO2→ CH3O+OH may be slower while that of CH3+HO2→CH4+O2 may be faster than values frequently used in recent literature.

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A study on ethanol oxidation kinetics in laminar premixed flames, flow reactors, and shock tubes

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