On the Importance of the Reaction CH2+N2→HCN+NH as a Precursor for Prompt NO Formation

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Abstract
The rate of the reaction CH2+N2 is modeled by transition state (RRKM) theory in order to evaluate its importance as a candidate precursor for so-called “prompt” NO formation in flame fronts. The transition state parameters are based on the best available thermochemical and kinetic data, assuming a “tight” complex. The rate constant predicted by the model for the triplet ground state has the form k = 8 × 10−12: exp(− 18,000/T) cm3/molecule-sec. Nearly identical results were obtained for the singlet first excited state, assuming a zero activation energy for the addition of CH2 to N2. These rate constants are a factor of 675-85 smaller than the experimental values reported for the reaction CH + N2 in the temperature range 1500-2000 K. Thus the reaction of CH2 with N2 is unlikely to be an important precursor of prompt NO formation.