This content is not included in
your SAE MOBILUS subscription, or you are not logged in.
Autoignition Chemistry of the Hexane Isomers: An Experimental and Kinetic Modeling Study
Annotation ability available
Sector:
Language:
English
Abstract
Autoignition of the five distinct isomers of hexane is studied experimentally under motored engine conditions and computationally using a detailed chemical kinetic reaction mechanism. Computed and experimental results are compared and used to help understand the chemical factors leading to engine knock in spark-ignited engines and the molecular structure factors contributing to octane rating for hydrocarbon fuels. The kinetic model reproduces observed variations in critical compression ratio with fuel structure, and it also provides intermediate and final product species concentrations in much better agreement with observed results than has been possible previously. In addition, the computed results provide insights into the kinetic origins of fuel octane sensitivity.
Recommended Content
Authors
Citation
Curran, H., Gaffuri, P., Pitz, W., Westbrook, C. et al., "Autoignition Chemistry of the Hexane Isomers: An Experimental and Kinetic Modeling Study," SAE Technical Paper 952406, 1995, https://doi.org/10.4271/952406.Also In
References
- Lovell, W. G. “Knocking Characteristics of Hydrocarbons,” Ind. Eng. Chem. 40 2388 1948
- Vermeersch, M. L. Held, T. J. Stein, Y. S. Dryer, F. L. SAE Trans. 100 645 1991
- Cernansky, N. P. Green, R. M. Pitz, W. J. Westbrook, C. K. “Chemistry of Fuel Oxidation Preceding End-Gas Autoignition,” Combust. Sci. Technol. 50 3 1986
- Lignola, P. G. DiMaio, F. P. Marzocchella, A. Mercogliano, R. Reverchon, E. Twenty-Second Symposium (International) on Combustion 1625 The Combustion Institute Pittsburgh 1989
- Chakir, A. Bellimam, M. Boettner, J. C. Cathonnet, M. Int. J. Chem. Kinet. 24 385 1992
- Cavaliere, A. Ciajolo, A. D'Anna, A. Mercogliano, R. Ragucci, R. Combust. Flame 93 279 1993
- Dagaut, P. Reullon, M. Cathonnet, M. Combust. Sci. Tech. 95 233 1994
- Minetti, R. Carlier, M. Rivaucour, M. Therssen, E. Sochet, L. R. Combust. Flame 1995
- Griffiths, J. F. Hughes, K. J. Schreiber, M. Poppe, C. Combust. Flame 99 533 1994
- Westbrook, C. K. Pitz, W. J. Leppard, W. R. “The Autoignition Chemistry of Paraffinic Fuels and Pro-Knock and Anti-Knock Additives: A Detailed Chemical Kinetic Study,” SAE paper SAE- 912314 1991
- Pitz, W. J. Westbrook, C. K. Leppard, W. R. “Autoignition Chemistry of C4 Olefins Under Motored Engine Conditions: A Comparison of Experimental and Modeling Results,” SAE paper SAE- 912315 1991
- Pollard, R. T. “Hydrocarbons,” Comprehensive Chemical Kinetics 17 Gas-Phase Combustion Bamford C. H. Tipper, C. F. H. Elsevier New York 1977
- Leppard, W. R. “A Comparison of Olefin and Paraffin Autoignition Chemistries: A Motored-Engine Study,” SAE paper SAE- 892081 1989
- Leppard, W. R. “The Chemical Origin of Fuel Octane Sensitivity,” SAE paper SAE- 902137 1990
- Leppard, W. R. “The Autoignition Chemistries of Primary Reference Fuels, Olefin/Paraffin Binary Mixtures, and Non-Linear Octane Blending” SAE paper SAE- 922325 1992
- Lipari, F. Swarin, S. J. “Determination of Formaldehyde and Other Aldehydes in Automobile Exhaust with an Improved 2,4-Dinitrophenylhydrazine Method,” J. Chromatog. 247 297 1982
- Perry, K. L. “A Gas Chromatographic Technique for the Analysis of Fuel Vapor Containing Oxygenates,” J. Chrom. Sci. 28 624 1990
- Lund, C. M. “HCT - A General Computer Program for Calculating Time-Dependent Phenomena Involving One-Dimensional Hydrodynamics, Transport, and Detailed Chemical Kinetics,” Lawrence Livermore National Laboratory report UCRL-52504 1978
- Kaiser, E. W. Westbrook, C. K. Pitz, W. J. “Acetaldehyde Oxidation in the Negative Temperature Coefficient Regime: Experimental and Modeling Results,” Int. J. Chem. Kinet. 18 655 1986
- Westbrook, C. K. Warnatz, J. Pitz, W. J. Twenty-Second Symposium (International) on Combustion 893 The Combustion Institute Pittsburgh 1988
- Green, R. M. Cernansky, N. P. Pitz, W. J. Westbrook, C. K. “The Role of Low Temperature Chemistry in the Autoignition of n-Butane,” SAE paper SAE- 872108 1987
- Heywood, J. B. “Internal Combustion Engine Fundamentals,” McGraw-Hill Publishing Co. New York 1988
- Young, M. B. Lienesch, J. H. “An Engine Diagnostic Package (EDPAC) - Software for Analyzing Cylinder Pressure-Time Data,” SAE Paper 780967 1978
- Westbrook, C. K. Dryer, F. L. “Chemical Kinetics and Modeling of Combustion Processes,” Eighteenth Symposium (International) on Combustion 749 The Combustion Institute Pittsburgh 1981
- Westbrook, C. K. Dryer, F. L. “Chemical Kinetic Modeling of Hydrocarbon Combustion,” Prog. Energy Comb. Sci. 10 1 1984
- Benson, S. W. “Thermochemical Kinetics,” Wiley New York 1976
- Lay, T. Bozzelli, J.W. Eastern States Meeting of the Combustion Institute paper no. 100 1993
- Ritter, E. R. Bozzelli, J. W. “THERM: Thermodynamic Property Estimation for Radicals and Molecules,” Int. J. Chem. Kinet. 23 767 1991
- Ranzi, E. Sogaro, A. Gaffuri, P. Pennati, G. Westbrook, C. K. Pitz, W. J. Combust Flame 99 201 1994
- Ranzi, E. Gaffuri, P. Faravelli, T. Dagaut, P. “A Wide Range Modeling Study of n-heptane Oxidation,” Combust. Flame 1995
- Cox, R. A. Cole, J. A. “Chemical Aspects of the Autoignition of Hydrocarbon-Air Mixtures,” Combust. Flame 60 109 123 1985
- Hu, H. Keck, J. C. “Autoignition of Adiabatically Compressed Combustible Gas Mixtures,” SAE Paper 872110 1987
- Morley, C. “A Fundamentally Based Correlation Between Alkane Structure and Octane Number,” Combust. Sci. Technol. 55 115 1987
- Sahetchian, K. A. Rigny, R. Circan, S. “Identification of the Hydroperoxide Formed by Isomerization Reactions During the Oxidation of n-Heptane in a Reactor and CFR Engine,” Combust. Flame 85 511 514 1991
- Blin-Siamand, N. Rigny, R. Viossat, V. Circan, S. Sahetchian, K. A. “Autoignition of Hydrocarbon/Air Mixtures in a CFR Engine: Experimental and Modeling Study,” Combust. Sci. and Tech. 88 329 1993
- Curran, H. J. Gaffuri, P. Pitz, W. J. Westbrook, C. K. Callahan, C. Dryer, F. L. Held, T. “A Modeling Study of the Combustion of n-Heptane and iso-Octane in a High Pressure Turbulent Flow Reactor,” Combustion Institute Central and Western States Section Proceedings 263 268 1995
- Gaffuri, P. Curran, H. J. Pitz, W. J. Westbrook, C. K. “Combustion of n-Heptane in a Shock Tube and in a Stirred Reactor: A Detailed Kinetic Modeling Study,” Combustion Institute Central and Western States Section Proceedings 233 238 1995
- Curran, H. J. Gaffuri, P. Pitz, W. J. Westbrook, C. K. 1995
- Li, H. Prabhu, S. K. Miller, D. L. Cernansky, N. P. “Autoignition Chemistry Studies on Primary Reference Fuels in a Motored Engine,” SAE Paper 942062 1994