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Title: Reduced chemical model for low and high-temperature oxidation of fuel blends relevant to internal combustion engines

Abstract

A hybrid approach is proposed to develop reduced kinetic models for complex engine-relevant fuels. The reduced mechanism is composed of a core submechanism including C0-C4 chemistry, ethanol chemistry, and NOx chemistry and a fuel-dependent submechanism. The fuel-dependent submechanism consists of three species and ten reactions describing both the low and high-temperature fuel decomposition pathways. Calibrations for these reactions can be made for single component and multicomponent mixtures using experimental targets or results from detailed kinetic mechanisms. In the present study, the methodology is applied to the combustion of gasoline surrogates. Reduced mechanisms are calibrated for primary references fuels and multicomponent mixtures at engine-relevant pressures. The reduced mechanisms capture the low-temperature heat release and negative temperature coefficient (NTC) behavior, which are important to simulations of internal combustion engine performance. The mechanisms are very compact in size and can be easily calibrated for multicomponent mixtures without any detailed knowledge of the chemistry of the fuel components, making them well suited for CFD simulations of new fuel blends.

Authors:
 [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 National Nuclear Security Administration (NNSA)
OSTI Identifier:
1497308
Report Number(s):
LLNL-JRNL-742185
Journal ID: ISSN 1540-7489; 896746
Grant/Contract Number:  
AC52-07NA27344
Resource Type:
Accepted Manuscript
Journal Name:
Proceedings of the Combustion Institute
Additional Journal Information:
Journal Volume: 37; Journal Issue: 1; Journal ID: ISSN 1540-7489
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
02 PETROLEUM

Citation Formats

Lapointe, S., Zhang, K., and McNenly, M. J. Reduced chemical model for low and high-temperature oxidation of fuel blends relevant to internal combustion engines. United States: N. p., 2018. Web. doi:10.1016/j.proci.2018.06.139.
Lapointe, S., Zhang, K., & McNenly, M. J. Reduced chemical model for low and high-temperature oxidation of fuel blends relevant to internal combustion engines. United States. doi:10.1016/j.proci.2018.06.139.
Lapointe, S., Zhang, K., and McNenly, M. J. Mon . "Reduced chemical model for low and high-temperature oxidation of fuel blends relevant to internal combustion engines". United States. doi:10.1016/j.proci.2018.06.139. https://www.osti.gov/servlets/purl/1497308.
@article{osti_1497308,
title = {Reduced chemical model for low and high-temperature oxidation of fuel blends relevant to internal combustion engines},
author = {Lapointe, S. and Zhang, K. and McNenly, M. J.},
abstractNote = {A hybrid approach is proposed to develop reduced kinetic models for complex engine-relevant fuels. The reduced mechanism is composed of a core submechanism including C0-C4 chemistry, ethanol chemistry, and NOx chemistry and a fuel-dependent submechanism. The fuel-dependent submechanism consists of three species and ten reactions describing both the low and high-temperature fuel decomposition pathways. Calibrations for these reactions can be made for single component and multicomponent mixtures using experimental targets or results from detailed kinetic mechanisms. In the present study, the methodology is applied to the combustion of gasoline surrogates. Reduced mechanisms are calibrated for primary references fuels and multicomponent mixtures at engine-relevant pressures. The reduced mechanisms capture the low-temperature heat release and negative temperature coefficient (NTC) behavior, which are important to simulations of internal combustion engine performance. The mechanisms are very compact in size and can be easily calibrated for multicomponent mixtures without any detailed knowledge of the chemistry of the fuel components, making them well suited for CFD simulations of new fuel blends.},
doi = {10.1016/j.proci.2018.06.139},
journal = {Proceedings of the Combustion Institute},
number = 1,
volume = 37,
place = {United States},
year = {2018},
month = {7}
}

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