Auto-ignition control using an additive with adaptable chemical structure. Part II: Development of a PRF kinetic model including 1,3-cyclohexadiene mechanism and simulations of ignition control

Autoignition control of fuel and air mixtures was simulated using an additive able to change its molecular structure upon light irradiation. This control was assumed to be feasible through the photochemical isomerisation of 1,3-cyclohexadiene (1,3-CHD) to cis-1,3,5-hexatriene (1,3,5-HT). 1,3-CHD was present in a molar concentration of 1% in a PRF fuel, and was transformed into 1,3,5-HT in varying amounts prior to ignition, in an attempt to control autoignition timing. The autoignition delays were calculated using a newly developed chemical kinetic mechanism for the low temperature combustion of PRF / 1,3-CHD / 1,3,5-HT mixtures in air. Validations for PRF / air mixture were performed by simulations based on the new mechanism developed in the current work against ignition delay times (IDT) of the literature measured in rapid compression machines. The agreement between simulations and experiments for the pure compounds reinforced the accuracy of the mechanism, which led to an investigation of its impact on ...