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

Lapointe, S.; Zhang, K.; McNenly, M. J.

doi:10.1016/j.proci.2018.06.139

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

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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:

Lapointe, S. ^[1];

^[1]; McNenly, M. J. ^[1]

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

Publication Date:: 2018-07-02

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

Sponsoring Org.:: USDOE National Nuclear Security Administration (NNSA)

OSTI Identifier:: 1497308

Alternate Identifier(s):: OSTI ID: 1703021

Report Number(s):: LLNL-JRNL-742185
Journal ID: ISSN 1540-7489; 896746

Grant/Contract Number:: AC52-07NA27344; 16-ERD-003

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.

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                    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.  https://doi.org/10.1016/j.proci.2018.06.139

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                    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.  https://doi.org/10.1016/j.proci.2018.06.139.  https://www.osti.gov/servlets/purl/1497308.

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@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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