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Title: 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.

Authors:
ORCiD logo [1];  [1];  [1];  [1]; ORCiD logo [1];  [1]
  1. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
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 (Print)
Additional Journal Information:
Journal Name: Physical Chemistry Chemical Physics. PCCP (Print); 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. doi: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. doi: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 (Print)},
number = 16,
volume = 20,
place = {United States},
year = {2018},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
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Cited by: 7 works
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