Based on our previous models of aromatics
Dozens of C6 and smaller decomposition products of benzene were detected in this work, especially many free radicals such as methyl (CH3), propargyl (C3H3) and cyclopentadienyl (C5H5) radicals. Figure 1 shows the experimental and simulated Scriptaid fraction profiles of reactants (benzene and O2), diluent gas (Ar) and major products (H2, H2O, CO and CO2). It is observed that the model can capture the equilibrium mole fractions of these major flame species and features of their experimental profiles, e.g., the depletion positions of reactants and peak or bending positions of major products. Figure 2 shows experimental and simulated mole fraction profiles of some important C6 and smaller intermediates in the decomposition process of benzene. Additionally, the simulated results of major species, C6 and smaller intermediates by the model of Saggese et al.  are shown in Figs. S4 and S5 in Supplemental materials. Based on the ROP analysis, main decomposition pathways of benzene in the leanest (? = 0.75) and richest (? = 2.00) flames are summarized in Fig. 3 to demonstrate the different features of benzene decomposition in various reaction circumstances, and the following discussion will also be focused on these two flames.