A Kinetic Mechanism for CF3I Inhibition of Methane-Air Flames
Valeri I. Babushok, Donald R. Burgess Jr., Gregory T. Linteris
The influence of CF3I on the burning velocity of methane–air flame is experimentally and numerically studied. Experimental results demonstrate that the inhibition effectiveness of CF3I is very close to that of CF3Br. A detailed kinetic model of flame inhibition by CF3I is presented, based on an updated version of a previous model. The kinetic model contains 1072 reactions with 115 species including 10 iodine-containing species. Modeling results demonstrate good agreement with experimental data, and both experiments and calculations show that CF3I is only slightly less effective at reducing the burning velocity than CF3Br. The flame structure predicted from numerical simulations is analyzed and shows that main reactions of the inhibition cycle of CF3I are as follows: H+ HI = H2 + I; H + I + M = HI+M; I + I + M = I2 + M; H+ I2 = HI+I; I+ CH3 + M = CH3I+M; H+ CH3I = CH3+ HI; I+ HCO = HI+CO; HI+OH = H2O+I and O+ HI = I+ OH.
, Burgess Jr., D.
and Linteris, G.
A Kinetic Mechanism for CF3I Inhibition of Methane-Air Flames, Combustion Science and Technology, [online], https://doi.org/10.1080/00102202.2022.2041622, https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=933874
(Accessed September 29, 2023)