Development of a surrogate and its comprehensive compact chemical kinetic mechanism for the combustion of Alcohol-To-Jet fuel

Abstract

This study develops a compact high-fidelity chemical kinetic mechanism for a proposed surrogate of Alcohol-To-Jet fuel, capable of modelling ignition delay time, laminar flame speed, and species concentration. A combination of 85% iso-dodecane and 15% iso-cetane by wt% that is a close approximation to the real fuel composition was selected as the ATJ surrogate to investigate the simulation of the three given combustion properties. A relatively good agreement has been observed for ignition delay, laminar flame speed, and mole fraction of some species, between the simulation by the Chemkin-Pro software package and the available experimental data in the literature. The authors suggest that this proposed surrogate with its compact validated mechanism can be used by researchers to study the combustion behaviour of ATJ fuel including the investigation on the complex geometries of combustion system such as Equivalent Reactor Network Analysis which require a compact accurate chemical kinetic mechanism.