Mechanism and modeling of nitrogen chemistry in combustion

Our current understanding of the mechanisms and rate parameters for the gas-phase reactions of nitrogen compounds that are applicable to combustion-generated air pollution is discussed and illustrated by comparison of results from detailed kinetics calculations with experimental data. In particular, the mechanisms and rate parameters for thermal and prompt NO formation, for fuel nitrogen conversion, for the Thermal De-NOx and RAPRENOx processes, and for NO2 and N2O formation and removal processes are considered. Sensitivity and rate-of-production analyses are applied in the calculations to determine which elementary reactions are of greatest importance in the nitrogen conversion process. Available information on the rate parameters for these important elementary reactions has been surveyed, and recommendations for the rate coefficients for these reactions are provided. The principal areas of uncertainty in nitrogen reaction mechanisms and rate parameters are outlined.