Skeletal and Compact Validated Mechanisms for Iso-dodecane Using a Decoupling Methodology

Iso-dodecane is an important component in developing
surrogate
fuel mixtures for conventional and alternative jet fuels. Despite
some progress in recent years, there is still a requirement for a
compact mechanism that is well validated in both low and high temperatures
when compared to the experimental data. This paper develops a new
compact mechanism with the aid of a decoupling methodology for iso-dodecane
validated against available experimental data over a wide range of
pressures and equivalence ratios. The ignition delay results show
excellent agreement over a wide range of temperatures from 600 to
1300 K that covers low and high limits compared to the empirical data
at 15, 20, and 40 bar and at lean, stoichiometric, and rich conditions.
The maximum discrepancy between the simulations and the experiments
by a factor of 1.7 was observed for 750 K at the rich condition at
15 bar. Laminar burning velocity simulations at two different pressures
were conducted for iso-dodecane, and the results were compared with
the available experimental data for alcohol-to-jet (ATJ) fuel, which
is mostly composed of iso-dodecane. It was found that there was very
good agreement between the modeling results and the experimental data.
The final version of the new mechanism includes 158 species and 986
reactions and has potential in further functional kinetic investigations
and to use for complex geometries of combustion systems such as Equivalent
Reactor Network analyses.