Ba. Williams et Jw. Fleming, RADICAL SPECIES PROFILES IN LOW-PRESSURE METHANE FLAMES CONTAINING FUEL NITROGEN-COMPOUNDS, Combustion and flame, 110(1-2), 1997, pp. 1-13
Relative concentration profiles of CN, NH, NCO, NH2, and NO are record
ed for a 10 torr, premixed CH4/O-2/Ar flame doped with the following c
ompounds: 0.35% NH3, CH3NH2, and CH3CN, and 0.86% NO. Profiles were me
asured by laser-induced fluorescence and compared between the differen
t dopants. The experimental data are compared to detailed kinetic calc
ulations based on the Gas Research Institute mechanism 2.11 for the NH
3 and NO dopants, with added submechanisms for CH3CH and CH3NH2. The k
inetic model underpredicts the amount of CN and NCO formed from the am
monia dopant; if we postulate a reaction between CH3 and NH, these dis
crepancies are largely resolved. Comparison of CN and NCO profiles bet
ween the NO and NH, dopants indicates that HCN is the primary product
of the CH + NO reaction. Extrapolation of measured rates for CH3CN des
truction reactions to combustion temperatures predicts a rate of CH3CN
removal which is far too slow. Previously published mechanisms for me
thylamine combustion overpredict the amount of NH2 produced, indicatin
g that cleavage of the C-N bond is less likely in the initial attack t
han the kinetic mechanisms predict. We propose modifications to the CH
3CN and CH3NH2 submechanisms which correct these deficiencies and lead
to good agreement with the measured intermediate profiles for all dop
ants. (C) 1997 by The Combustion Institute.