TY - GEN
T1 - A detailed chemical kinetic reaction mechanism for n-alkane hydrocarbons from n-octane to n-hexadecane
AU - Westbrook, Charles K.
AU - Pitz, William J.
AU - Herbinet, Olivier
AU - Silke, Emma J.
AU - Curran, Henry J.
PY - 2007
Y1 - 2007
N2 - Detailed chemical kinetic reaction mechanisms have been developed to describe the pyrolysis and oxidation of the n-alkanes, including n-octane (n-C8H18), n-nonane (n-C9H20), n-decane (n-C10H22), n-undecane (n-C11H24), n-dodecane (n-C12H26), n-tridecane (n-C13H28), n-tetradecane (n-C14H30), n-pentadecane (n-C15H32), and n-hexadecane (n-C16H34). These mechanisms include both high temperature and low temperature reaction pathways. The mechanisms are based on previous mechanisms for n-heptane, using the same reaction class mechanism construction developed initially for n-heptane. Individual reaction class rules are as simple as possible in order to focus on the parallelism between all of the n-alkane fuels included in the mechanisms, and there is an intent to develop these mechanisms further in the future to incorporate greater levels of accuracy and predictive capability. Several of these areas for improvement are identified and explained in detail. These mechanisms are validated through comparisons between computed and experimental data from as many different sources as possible. In addition, numerical experiments are carried out to examine features of n-alkane combustion in which the detailed mechanisms can be used to compare processes in all of the n-alkane fuels. The mechanisms for all of these n-alkanes are presented as a single detailed mechanism, which can be edited to produce efficient mechanisms for any of the n-alkanes included, and the entire mechanism, with supporting thermochemical and transport data, together with an explanatory glossary explaining notations and structural details, will be available on our web page when the paper is accepted for publication.
AB - Detailed chemical kinetic reaction mechanisms have been developed to describe the pyrolysis and oxidation of the n-alkanes, including n-octane (n-C8H18), n-nonane (n-C9H20), n-decane (n-C10H22), n-undecane (n-C11H24), n-dodecane (n-C12H26), n-tridecane (n-C13H28), n-tetradecane (n-C14H30), n-pentadecane (n-C15H32), and n-hexadecane (n-C16H34). These mechanisms include both high temperature and low temperature reaction pathways. The mechanisms are based on previous mechanisms for n-heptane, using the same reaction class mechanism construction developed initially for n-heptane. Individual reaction class rules are as simple as possible in order to focus on the parallelism between all of the n-alkane fuels included in the mechanisms, and there is an intent to develop these mechanisms further in the future to incorporate greater levels of accuracy and predictive capability. Several of these areas for improvement are identified and explained in detail. These mechanisms are validated through comparisons between computed and experimental data from as many different sources as possible. In addition, numerical experiments are carried out to examine features of n-alkane combustion in which the detailed mechanisms can be used to compare processes in all of the n-alkane fuels. The mechanisms for all of these n-alkanes are presented as a single detailed mechanism, which can be edited to produce efficient mechanisms for any of the n-alkanes included, and the entire mechanism, with supporting thermochemical and transport data, together with an explanatory glossary explaining notations and structural details, will be available on our web page when the paper is accepted for publication.
UR - https://www.scopus.com/pages/publications/84946013160
M3 - Conference Publication
AN - SCOPUS:84946013160
T3 - Western States Section/Combustion Institute Fall Meeting 2007
SP - 130
EP - 196
BT - Western States Section/Combustion Institute Fall Meeting 2007
PB - Western States Section/Combustion Institute
T2 - Western States Section/Combustion Institute Fall Meeting 2007
Y2 - 16 October 2007 through 17 October 2007
ER -