The Autoignition Chemistry of Paraffinic Fuels and Pro-Knock and Anti-Knock Additives: A Detailed Chemical Kinetic Study

Westbrook, Charles K.; Pitz, William J.; Leppard, William R.

doi:10.4271/912314

The Autoignition Chemistry of Paraffinic Fuels and Pro-Knock and Anti-Knock Additives: A Detailed Chemical Kinetic Study

Conference · Mon Sep 30 00:00:00 EDT 1991 · SAE Technical Paper Series

DOI:https://doi.org/10.4271/912314· OSTI ID:5520749

Westbrook, Charles K. ^[1]; Pitz, William J. ^[1]; Leppard, William R. ^[2]

Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
General Motors R&D, Warren, MI (United States)

A numerical model is used to examine the chemical kinetic processes leadING to knocking in spark-ignition internal combustion engines. The construction and validation of the model is described in detail, including low temperature reaction paths involving alkylperoxy radical isomerization. The numerical model is applied to C₁ to C₇ paraffinic hydrocarbon fuels, and a correlation is developed between the Research Octane Number (RON) and the computed time of ignition for each fuel. Octane number is shown to depend on the rates of OH radical production through isomerization reactions, and factors influencing the rate of isomerization such as fuel molecule size and structure are interpreted in terms of the kinetic model. knock behavior of fuel mixtures is examined, and the manner in which pro-knock and anti-knock additives influence ignition is studied numerically. The kinetics of methyl tert-butyl ether (MTBE) is discussed in particular detail.

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Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE

DOE Contract Number:: W-7405-ENG-48

OSTI ID:: 5520749

Report Number(s):: UCRL-JC--107388; CONF-911025--1; ON: DE91014992

Journal Information:: SAE Technical Paper Series, Journal Name: SAE Technical Paper Series Vol. 1; ISSN 0148-7191

Publisher:: SAE International

Country of Publication:: United States

Language:: English

References (16)

Detailed Kinetic Modeling of Autoignition Chemistry Westbrook, Charles K.; Pitz, William J. SAE Technical Paper Series https://doi.org/10.4271/872107	conference	November 1987
A comprehensive mechanism for the pyrolysis and oxidation of ethylene Westbrook, Charles K.; Dryer, Frederick L.; Schug, K. P. Symposium (International) on Combustion, Vol. 19, Issue 1 https://doi.org/10.1016/S0082-0784(82)80187-2	journal	January 1982
Arrhenius parameters for the reaction C2H5+ O2? C2H4+ HO2 McAdam, Kevin G.; Walker, Raymond W. Journal of the Chemical Society, Faraday Transactions 2, Vol. 83, Issue 8 https://doi.org/10.1039/f29878301509	journal	January 1987
A comprehensive chemical kinetic reaction mechanism for the oxidation of N-butane Pitz, William J.; Westbrook, Charles K.; Proscia, William M. Symposium (International) on Combustion, Vol. 20, Issue 1 https://doi.org/10.1016/S0082-0784(85)80573-7	journal	January 1985
A kinetic modeling study of n-pentane oxidation in a well-stirred reactor Westbrook, Charles K.; Pitz, William J.; Thornton, Mark M. Combustion and Flame, Vol. 72, Issue 1 https://doi.org/10.1016/0010-2180(88)90096-X	journal	April 1988
Chemical kinetics and modeling of combustion processes Westbrook, Charles K.; Dryer, Frederick L. Symposium (International) on Combustion, Vol. 18, Issue 1 https://doi.org/10.1016/S0082-0784(81)80079-3	journal	January 1981
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Chemical kinetics of the high pressure oxidation of n-butane and its relation to engine knock Pitz, William J.; Westbrook, Charles K. Combustion and Flame, Vol. 63, Issue 1-2 https://doi.org/10.1016/0010-2180(86)90115-X	journal	January 1986
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Studies of Octane Properties of Mixtures of Isomeric Hexanes Croudace, Michael C.; Jessup, Peter J. SAE Technical Paper Series https://doi.org/10.4271/881604	conference	October 1988
A detailed chemical kinetic reaction mechanism for the oxidation of iso-octane and n-heptane over an extended temperature range and its application to analysis of engine knock Westbrook, Charles K.; Warnatz, Jürgen; Pitz, William J. Symposium (International) on Combustion, Vol. 22, Issue 1 https://doi.org/10.1016/S0082-0784(89)80098-0	journal	January 1989
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02 PETROLEUM
025000 -- Petroleum-- Combustion
33 ADVANCED PROPULSION SYSTEMS
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The Autoignition Chemistry of Paraffinic Fuels and Pro-Knock and Anti-Knock Additives: A Detailed Chemical Kinetic Study

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References (16)

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