Development of a Compact Skeletal Mechanism for Thermally Cracked Hydrocarbon Fuels

Abstract

ABSTRACT The construction of a compact kinetic mechanism for thermally cracked hydrocarbon fuels holds great importance for developing advanced engine with regenerative cooling. In the present study, a skeletal oxidation mechanism consisting of 104 species and 373 reactions, which can be divided into two parts, i.e. a core mechanism for pyrolysis gas, and a skeletal sub-mechanism for pyrolysis liquid, was developed by a decoupling method. The combustion process of pyrolysis gas and its pure constituents was depicted by incorporating detailed reaction pathways of H2/CO/C1-C4 molecules, and variations of hydrocarbon classes, as well as carbon number distributions were also considered by introducing eight skeletal sub-mechanisms for heavy hydrocarbons which covered chain alkanes, cycloalkanes, and monocyclic aromatics in pyrolysis liquid, thus the newly developed mechanism was suitable for thermally cracked hydrocarbon fuels over a wide range of pyrolysis temperatures. The skeletal mechanism was extensively validated by experimental data of laminar burning velocities and ignition delay times, confirming its applicability for reproducing the flame characteristics of pyrolysis gases, pyrolysis liquids, and thermally cracked fuels. Sensitivity analyses showed that laminar burning velocities of thermally cracked fuels were only affected by reactions involving small radicals when the pyrolysis temperature was lower than 600°C, while reactions involving benzene rings started to dominate the flame propagation of thermally cracked fuel at 650°C under fuel-lean, stoichiometric, and fuel-rich conditions. Reactions of small radicals and heavy hydrocarbons both affected the ignition process of thermally cracked fuels.