Chemical kinetics of octane sensitivity in a spark-ignition engine (Chemical Kinetics of Octane Sensitivity in a Spark Ignition Engine)

Westbrook, Charles K.; Mehl, Marco; Pitz, William J.; Sjöberg, Magnus

doi:10.1016/j.combustflame.2016.05.022

Title: Chemical kinetics of octane sensitivity in a spark-ignition engine (Chemical Kinetics of Octane Sensitivity in a Spark Ignition Engine)

Journal Article · 11 July 2016 · Combustion and Flame

DOI: https://doi.org/10.1016/j.combustflame.2016.05.022 · OSTI ID:1341979

^[1]; Mehl, Marco ^[1]; Pitz, William J. ^[1]; Sjöberg, Magnus ^[2]

Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sandia National Lab. (SNL-CA), Livermore, CA (United States)

This article uses a chemical kinetic modeling approach to study the influences of fuel molecular structure on Octane Sensitivity (OS) in Spark Ignition (SI) engines. Octane Sensitivity has the potential to identify fuels that can be used in next-generation high compression, turbocharged SI engines to avoid unwanted knocking conditions and extend the range of operating conditions that can be used in such engines. While the concept of octane numbers of different fuels has been familiar for many years, the variations of their values and their role in determining Octane Sensitivity have not been addressed previously in terms of the basic structures of the fuel molecules. In particular, the importance of electron delocalization on low temperature hydrocarbon reactivity and its role in determining OS in engine fuel is described here for the first time. Finally, the role of electron delocalization on fuel reactivity and Octane Sensitivity is illustrated for a very wide range of engine fuel types, including n-alkane, 1-olefin, n-alcohol, and n-alkyl benzenes, and the unifying features of these fuels and their common trends, using existing detailed chemical kinetic reaction mechanisms that have been collected and unified to produce an overall model with unprecedented capabilities.

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

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC52-07NA27344; AC04-94AL85000

OSTI ID:: 1341979

Alternate ID(s):: OSTI ID: 1416409

Report Number(s):: LLNL-JRNL-685298

Journal Information:: Combustion and Flame, Vol. 175, Issue C; ISSN 0010-2180

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 85 works

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