Multi-fuel surrogate chemical kinetic mechanisms for real world applications

Westbrook, Charles K.; Mehl, Marco; Pitz, William J.; Kukkadapu, Goutham; Wagnon, Scott; Zhang, Kuiwen

doi:10.1039/C7CP07901J

Title: Multi-fuel surrogate chemical kinetic mechanisms for real world applications

Journal Article · 24 January 2018 · Physical Chemistry Chemical Physics. PCCP

DOI: https://doi.org/10.1039/C7CP07901J · OSTI ID:1488791

^[1]; Mehl, Marco ^[1]; Pitz, William J. ^[1]; Kukkadapu, Goutham ^[1];

^[1]; Zhang, Kuiwen ^[1]

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

The most important driving force for development of detailed chemical kinetic reaction mechanisms in combustion is the desire by researchers to simulate practical systems. Here, this article reviews the parallel evolution of kinetic reaction mechanisms and applications of those models to practical, real engines. Early, quite simple, kinetic models for small fuel molecules were extremely valuable in analyzing long-standing, poorly understood applied ignition and flame quenching problems, and later kinetic models have been applied to much more complex flame propagation, problems including autoignition in spark-ignition engines and issues related to octane numbers and knock in modern, high compression ratio and other engines. The recent emergence of very large, multi-fuel surrogate kinetic mechanisms that can address many different fuel types and real engine applications is discussed as a modern analytical tool that can be used for a wide variety of practical applications.

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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

OSTI ID:: 1488791

Report Number(s):: LLNL-JRNL-742928; PPCPFQ; 897869

Journal Information:: Physical Chemistry Chemical Physics. PCCP, Vol. 20, Issue 16; ISSN 1463-9076

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 36 works

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