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Title: The autoignition chemistry of paraffinic fuels and pro-knock and anti-knock additives: A detailed chemical kinetic study

Abstract

A numerical model is used to examine the chemical kinetic processes which lead to knocking in spark-ignition internal combustion engines. The construction and validation of the model is described in detail, including the low temperature reaction paths involving alkylperoxy radical isomerization. The numerical model is then applied to C{sub 1} to C{sub 7} 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. The 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. 28 refs., 5 figs., 5 tabs.

Authors:
;  [1];  [2]
  1. Lawrence Livermore National Lab., CA (USA)
  2. General Motors Research Labs., Warren, MI (USA). Fuels and Lubricants Dept.
Publication Date:
Research Org.:
Lawrence Livermore National Lab., CA (United States)
Sponsoring Org.:
USDOE; USDOE, Washington, DC (United States)
OSTI Identifier:
5520749
Report Number(s):
UCRL-JC-107388; CONF-911025-1
ON: DE91014992
DOE Contract Number:  
W-7405-ENG-48
Resource Type:
Conference
Resource Relation:
Conference: Society of Automotive Engineers international fuels and lubricants meeting and exposition, Toronto (Canada), 7-10 Oct 1991
Country of Publication:
United States
Language:
English
Subject:
33 ADVANCED PROPULSION SYSTEMS; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 02 PETROLEUM; AUTOMOTIVE FUELS; COMBUSTION KINETICS; SPARK IGNITION ENGINES; KNOCK CONTROL; ALKYL RADICALS; BUTYL ETHER; CHEMICAL REACTION KINETICS; COMBUSTION PROPERTIES; COMPRESSION RATIO; HYDROXIDES; IGNITION; ISOMERIZATION; MATHEMATICAL MODELS; METHYL ETHER; CHEMICAL REACTIONS; CONTROL; ENGINES; ETHERS; FUELS; HEAT ENGINES; HYDROGEN COMPOUNDS; INTERNAL COMBUSTION ENGINES; KINETICS; ORGANIC COMPOUNDS; ORGANIC OXYGEN COMPOUNDS; OXYGEN COMPOUNDS; RADICALS; REACTION KINETICS; 330101* - Internal Combustion Engines- Spark-Ignition; 400800 - Combustion, Pyrolysis, & High-Temperature Chemistry; 025000 - Petroleum- Combustion

Citation Formats

Westbrook, C K, Pitz, W J, and Leppard, W R. The autoignition chemistry of paraffinic fuels and pro-knock and anti-knock additives: A detailed chemical kinetic study. United States: N. p., 1991. Web.
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. United States.
Westbrook, C K, Pitz, W J, and Leppard, W R. 1991. "The autoignition chemistry of paraffinic fuels and pro-knock and anti-knock additives: A detailed chemical kinetic study". United States.
@article{osti_5520749,
title = {The autoignition chemistry of paraffinic fuels and pro-knock and anti-knock additives: A detailed chemical kinetic study},
author = {Westbrook, C K and Pitz, W J and Leppard, W R},
abstractNote = {A numerical model is used to examine the chemical kinetic processes which lead to knocking in spark-ignition internal combustion engines. The construction and validation of the model is described in detail, including the low temperature reaction paths involving alkylperoxy radical isomerization. The numerical model is then applied to C{sub 1} to C{sub 7} 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. The 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. 28 refs., 5 figs., 5 tabs.},
doi = {},
url = {https://www.osti.gov/biblio/5520749}, journal = {},
number = ,
volume = ,
place = {United States},
year = {1991},
month = {1}
}

Conference:
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