Detailed chemical kinetic mechanism for the oxidation of biodiesel fuels blend surrogate
Abstract
Detailed chemical kinetic mechanisms were developed and used to study the oxidation of two large unsaturated esters: methyl-5-decenoate and methyl-9-decenoate. These models were built from a previous methyl decanoate mechanism and were compared with rapeseed oil methyl esters oxidation experiments in a jet-stirred reactor. A comparative study of the reactivity of these three oxygenated compounds was performed and the differences in the distribution of the products of the reaction were highlighted showing the influence of the presence and the position of a double bond in the chain. Blend surrogates, containing methyl decanoate, methyl-5-decenoate, methyl-9-decenoate and n-alkanes, were tested against rapeseed oil methyl esters and methyl palmitate/n-decane experiments. These surrogate models are realistic kinetic tools allowing the study of the combustion of biodiesel fuels in diesel and homogeneous charge compression ignition engines. (author)
- Authors:
-
- Lawrence Livermore National Laboratory, CA 94550 (United States)
- Publication Date:
- OSTI Identifier:
- 21305708
- Resource Type:
- Journal Article
- Journal Name:
- Combustion and Flame
- Additional Journal Information:
- Journal Volume: 157; Journal Issue: 5; Other Information: Elsevier Ltd. All rights reserved; Journal ID: ISSN 0010-2180
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; 33 ADVANCED PROPULSION SYSTEMS; DIESEL FUELS; COMBUSTION; BIOFUELS; BRASSICA; ESTERS; OILS; INTERNAL COMBUSTION ENGINES; TOOLS; COMPRESSION; DISTRIBUTION; IGNITION; CHEMICAL ACTIVATION; SIMULATION; COMBUSTION KINETICS; DOUBLE BONDS; Methyl decenoate; Surrogates; Kinetic modeling; Methyl decanoate
Citation Formats
Herbinet, Olivier, Departement de Chimie Physique des Reactions, UMR 7630 CNRS, Nancy Universite-ENSIC, 1 rue Grandville, 54000 Nancy, Pitz, William J, and Westbrook, Charles K. Detailed chemical kinetic mechanism for the oxidation of biodiesel fuels blend surrogate. United States: N. p., 2010.
Web. doi:10.1016/J.COMBUSTFLAME.2009.10.013.
Herbinet, Olivier, Departement de Chimie Physique des Reactions, UMR 7630 CNRS, Nancy Universite-ENSIC, 1 rue Grandville, 54000 Nancy, Pitz, William J, & Westbrook, Charles K. Detailed chemical kinetic mechanism for the oxidation of biodiesel fuels blend surrogate. United States. https://doi.org/10.1016/J.COMBUSTFLAME.2009.10.013
Herbinet, Olivier, Departement de Chimie Physique des Reactions, UMR 7630 CNRS, Nancy Universite-ENSIC, 1 rue Grandville, 54000 Nancy, Pitz, William J, and Westbrook, Charles K. 2010.
"Detailed chemical kinetic mechanism for the oxidation of biodiesel fuels blend surrogate". United States. https://doi.org/10.1016/J.COMBUSTFLAME.2009.10.013.
@article{osti_21305708,
title = {Detailed chemical kinetic mechanism for the oxidation of biodiesel fuels blend surrogate},
author = {Herbinet, Olivier and Departement de Chimie Physique des Reactions, UMR 7630 CNRS, Nancy Universite-ENSIC, 1 rue Grandville, 54000 Nancy and Pitz, William J and Westbrook, Charles K},
abstractNote = {Detailed chemical kinetic mechanisms were developed and used to study the oxidation of two large unsaturated esters: methyl-5-decenoate and methyl-9-decenoate. These models were built from a previous methyl decanoate mechanism and were compared with rapeseed oil methyl esters oxidation experiments in a jet-stirred reactor. A comparative study of the reactivity of these three oxygenated compounds was performed and the differences in the distribution of the products of the reaction were highlighted showing the influence of the presence and the position of a double bond in the chain. Blend surrogates, containing methyl decanoate, methyl-5-decenoate, methyl-9-decenoate and n-alkanes, were tested against rapeseed oil methyl esters and methyl palmitate/n-decane experiments. These surrogate models are realistic kinetic tools allowing the study of the combustion of biodiesel fuels in diesel and homogeneous charge compression ignition engines. (author)},
doi = {10.1016/J.COMBUSTFLAME.2009.10.013},
url = {https://www.osti.gov/biblio/21305708},
journal = {Combustion and Flame},
issn = {0010-2180},
number = 5,
volume = 157,
place = {United States},
year = {Sat May 15 00:00:00 EDT 2010},
month = {Sat May 15 00:00:00 EDT 2010}
}