Inhibition of premixed hydrocarbon flames with CF3I
This paper presents a systematic computational study of the inhibition of premixed flames of short chain hydrocarbons with CF3I, focusing on sensitivity analysis of the normalized burning velocity and the reaction pathway analysis using the iodine-flux approach. The comprehensive kinetic mechanism was obtained by combining the GRI, hydrofluorocarbon and CF3I sub-mechanisms, and updating the rates of some of the elementary reactions in HFC and CF3I sub-mechanisms. The calculations were performed using the PREMIX computer code. The updated mechanism yielded estimates of the normalized laminar burning velocities that concurs closely with the published measurements. Sensitivity analysis resulted in a positive coefficient for CF3I + M → CF3 + I + M, confirming the promoting effect of CF3I on the laminar flame velocity, consistent with previous studies. Reaction pathways were developed for stoichiometric, fuel-lean and fuel-rich flames doped with 1 and 2% of CF3I at atmospheric pressure. The reaction pathway analysis served to identify four major inhibition cycles that are denoted as HI → I → HI, HI → I → I2 → HI, HI → I → CH3I → HI and HI → I → C2H5I → HI. Furthermore, the paper developed a linear expression linking the normalized rate of heat release in the calculation domain with the ratio of laminar burning velocities of mitigated and non-mitigated flames, and verified the veracity of this expression for the flames inhibited with CF3I.