Detailed chemical kinetic model for ethanol oxidation
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:
- Publication Date:
- Research Org.:
- Lawrence Livermore National Lab. (LLNL), Livermore, 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
Citation Formats
Marinov, N. Detailed chemical kinetic model for ethanol oxidation. United States: N. p., 1997.
Web. doi:10.2172/611758.
Marinov, N. Detailed chemical kinetic model for ethanol oxidation. United States. https://doi.org/10.2172/611758
Marinov, N. 1997.
"Detailed chemical kinetic model for ethanol oxidation". United States. https://doi.org/10.2172/611758. https://www.osti.gov/servlets/purl/611758.
@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},
url = {https://www.osti.gov/biblio/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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