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Title: A new chemical kinetic method of determining RON and MON values for single component and multicomponent mixtures of engine fuels

A new method of using chemical kinetic reaction modeling to predict the Research Octane Number (RON) and Motor Octane Number (MON) of single component fuels and fuel mixtures is described and illustrated via comparisons between computed and experimental values obtained using the well-established ASTM test procedures in a Cooperative Fuels Research (CFR) engine. Comparisons include predictions of RON and MON for a large variety of neat fuels, studies determining the RON and MON of mixtures of primary reference fuels (PRF) and toluene, and studies of RON and MON for mixtures of single-component and multiple-component gasoline surrogate mixtures with ethanol. Advantages in costs, time, and experimental complexity of the kinetic modeling approach compared to the existing engine test procedures are discussed.
Authors:
ORCiD logo [1] ;  [2] ;  [3]
  1. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  2. Sandia National Lab. (SNL-CA), Livermore, CA (United States)
  3. Drexel Univ., Philadelphia, PA (United States)
Publication Date:
Report Number(s):
LLNL-JRNL-748766
Journal ID: ISSN 0010-2180; 933961
Grant/Contract Number:
AC52-07NA27344
Type:
Accepted Manuscript
Journal Name:
Combustion and Flame
Additional Journal Information:
Journal Volume: 195; Journal Issue: C; Journal ID: ISSN 0010-2180
Publisher:
Elsevier
Research Org:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org:
USDOE National Nuclear Security Administration (NNSA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Kinetics; Octane ratings
OSTI Identifier:
1488796

Westbrook, C. K., Sjöberg, M., and Cernansky, N. P.. A new chemical kinetic method of determining RON and MON values for single component and multicomponent mixtures of engine fuels. United States: N. p., Web. doi:10.1016/j.combustflame.2018.03.038.
Westbrook, C. K., Sjöberg, M., & Cernansky, N. P.. A new chemical kinetic method of determining RON and MON values for single component and multicomponent mixtures of engine fuels. United States. doi:10.1016/j.combustflame.2018.03.038.
Westbrook, C. K., Sjöberg, M., and Cernansky, N. P.. 2018. "A new chemical kinetic method of determining RON and MON values for single component and multicomponent mixtures of engine fuels". United States. doi:10.1016/j.combustflame.2018.03.038. https://www.osti.gov/servlets/purl/1488796.
@article{osti_1488796,
title = {A new chemical kinetic method of determining RON and MON values for single component and multicomponent mixtures of engine fuels},
author = {Westbrook, C. K. and Sjöberg, M. and Cernansky, N. P.},
abstractNote = {A new method of using chemical kinetic reaction modeling to predict the Research Octane Number (RON) and Motor Octane Number (MON) of single component fuels and fuel mixtures is described and illustrated via comparisons between computed and experimental values obtained using the well-established ASTM test procedures in a Cooperative Fuels Research (CFR) engine. Comparisons include predictions of RON and MON for a large variety of neat fuels, studies determining the RON and MON of mixtures of primary reference fuels (PRF) and toluene, and studies of RON and MON for mixtures of single-component and multiple-component gasoline surrogate mixtures with ethanol. Advantages in costs, time, and experimental complexity of the kinetic modeling approach compared to the existing engine test procedures are discussed.},
doi = {10.1016/j.combustflame.2018.03.038},
journal = {Combustion and Flame},
number = C,
volume = 195,
place = {United States},
year = {2018},
month = {4}
}