Inhibition of hydrogen–oxygen flames by iron pentacarbonyl at atmospheric pressure

The chemistry of inhibition of laminar premixed hydrogen–oxygen flames by iron pentacarbonyl at atmospheric pressure was studied experimentally and by numerical simulation. Flame speed and chemical structure were analyzed. Flame burning velocities and inhibition effectiveness were measured and simulated for various equivalence ratios. The concentration profiles of a number of Fe-containing products of Fe(CO)5 combustion, including Fe, FeO2, FeOH, and Fe(OH)2, were first measured using probing molecular beam mass spectrometry in an atmospheric-pressure H2/O2/N2 flame. A comparison of the experimental and modeling results shows that they are in satisfactory agreement with each other, indicating that the reaction mechanism proposed previously for flame inhibition by iron pentacarbonyl is adequate for predicting the chemical structure of flames. The key recombination stages of active species catalyzed by Fe-containing species for flames of various stoichiometries can be determined by calculations of the production rates of H and O atoms and OH radicals as well as by analysis of the kinetic model.