Detailed chemical kinetic model for ethanol oxidation

doi:10.2172/611758

Title: Detailed chemical kinetic model for ethanol oxidation

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Abstract

A detailed chemical kinetic model for ethanol oxidation has been developed and validated against a variety of experimental data sets. Laminar flame speed data obtained from a constant volume bomb, ignition delay data behind reflected shock waves, and ethanol oxidation product profiles from a turbulent flow reactor were used in this study. Very good agreement was found in modeling the data sets obtained from the three different experimental systems. The computational modeling results show that high temperature ethanol oxidation exhibits strong sensitivity to the fall-off kinetics of ethanol decomposition, branching ratio selection for c2h5oh+oh=products, and reactions involving the hydroperoxyl (HO2) radical.

Authors:: Marinov, N.

Publication Date:: Tue Apr 01 00:00:00 EST 1997

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

Sponsoring Org.:: USDOE, Washington, DC (United States)

OSTI Identifier:: 611758

Report Number(s):: UCRL-JC-127246; CONF-970495-
ON: DE98051351

DOE Contract Number:: W-7405-ENG-48

Resource Type:: Technical Report

Resource Relation:: Conference: Western State section of the Combustion Institute meeting, Livermore, CA (United States), 14-15 Apr 1997; Other Information: PBD: 1 Apr 1997

Country of Publication:: United States

Language:: English

Subject:: 40 CHEMISTRY; OXIDATION; ETHANOL; MATHEMATICAL MODELS; LAMINAR FLOW; REACTION KINETICS; COMBUSTION; IGNITION; EXPERIMENTAL DATA

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                    Marinov, N. Detailed chemical kinetic model for ethanol oxidation.  United States: N. p., 1997. 
        Web.  doi:10.2172/611758.

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                    Marinov, N. Detailed chemical kinetic model for ethanol oxidation.  United States.  doi:10.2172/611758.

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                    Marinov, N. Tue .  
        "Detailed chemical kinetic model for ethanol oxidation".  United States.  doi:10.2172/611758.  https://www.osti.gov/servlets/purl/611758.

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@article{osti_611758,

  title        = {Detailed chemical kinetic model for ethanol oxidation},

  author       = {Marinov, N.},

  abstractNote = {A detailed chemical kinetic model for ethanol oxidation has been developed and validated against a variety of experimental data sets. Laminar flame speed data obtained from a constant volume bomb, ignition delay data behind reflected shock waves, and ethanol oxidation product profiles from a turbulent flow reactor were used in this study. Very good agreement was found in modeling the data sets obtained from the three different experimental systems. The computational modeling results show that high temperature ethanol oxidation exhibits strong sensitivity to the fall-off kinetics of ethanol decomposition, branching ratio selection for c2h5oh+oh=products, and reactions involving the hydroperoxyl (HO2) radical.},

  doi          = {10.2172/611758},

  journal      = {},
number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Apr 01 00:00:00 EST 1997},

  month        = {Tue Apr 01 00:00:00 EST 1997}

}

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DOI: 10.2172/611758

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