Multi-fuel surrogate chemical kinetic mechanisms for real world applications
Abstract
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.
- Publication Date:
- Research Org.:
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1488791
- Report Number(s):
- LLNL-JRNL-742928
Journal ID: ISSN 1463-9076; PPCPFQ; 897869
- Grant/Contract Number:
- AC52-07NA27344
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Chemistry Chemical Physics. PCCP
- Additional Journal Information:
- Journal Volume: 20; Journal Issue: 16; Journal ID: ISSN 1463-9076
- Publisher:
- Royal Society of Chemistry
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Westbrook, Charles K., Mehl, Marco, Pitz, William J., Kukkadapu, Goutham, Wagnon, Scott, and Zhang, Kuiwen. Multi-fuel surrogate chemical kinetic mechanisms for real world applications. United States: N. p., 2018.
Web. doi:10.1039/C7CP07901J.
Westbrook, Charles K., Mehl, Marco, Pitz, William J., Kukkadapu, Goutham, Wagnon, Scott, & Zhang, Kuiwen. Multi-fuel surrogate chemical kinetic mechanisms for real world applications. United States. https://doi.org/10.1039/C7CP07901J
Westbrook, Charles K., Mehl, Marco, Pitz, William J., Kukkadapu, Goutham, Wagnon, Scott, and Zhang, Kuiwen. Wed .
"Multi-fuel surrogate chemical kinetic mechanisms for real world applications". United States. https://doi.org/10.1039/C7CP07901J. https://www.osti.gov/servlets/purl/1488791.
@article{osti_1488791,
title = {Multi-fuel surrogate chemical kinetic mechanisms for real world applications},
author = {Westbrook, Charles K. and Mehl, Marco and Pitz, William J. and Kukkadapu, Goutham and Wagnon, Scott and Zhang, Kuiwen},
abstractNote = {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.},
doi = {10.1039/C7CP07901J},
journal = {Physical Chemistry Chemical Physics. PCCP},
number = 16,
volume = 20,
place = {United States},
year = {Wed Jan 24 00:00:00 EST 2018},
month = {Wed Jan 24 00:00:00 EST 2018}
}
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Figure 1: Hierarchical relationships among small hydrocarbon species [22]
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Works referencing / citing this record:
Isomer-sensitive characterization of low temperature oxidation reaction products by coupling a jet-stirred reactor to an electron/ion coincidence spectrometer: case of n -pentane
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- Bourgalais, Jérémy; Gouid, Zied; Herbinet, Olivier
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Kinetic Modeling of NO x Formation and Consumption during Methanol and Ethanol Oxidation
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- Combustion Science and Technology, Vol. 191, Issue 9
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