An investigation of important gas-phase reactions of nitrogenous species from the simulation of experimental measurements in combustion systems

• Published in: Combustion and flame Vol. 124; no. 4; pp. 573 - 589
• Main Authors: Hughes, K.J, Tomlin, A.S, Hampartsoumian, E, Nimmo, W, Zsély, I.G, Ujvári, M, Turányi, T, Clague, A.R, Pilling, M.J
• Format: Journal Article
• Language: English
• Published: New York, NY Elsevier Inc 01-03-2001; Elsevier Science
• Subjects: Applied sciences; Combustion of gaseous fuels; Combustion. Flame; Energy; Energy. Thermal use of fuels; Exact sciences and technology; Theoretical studies. Data and constants. Metering; Nitrogen oxide; Laminar flame; Sensitivity analysis; Hydrogen; Measurement result; Nitrogen compounds; Reaction mechanism; Numerical simulation; Combustion; Reaction rate; Pollutant emission
• ISSN: 0010-2180; 1556-2921
• DOI: 10.1016/S0010-2180(00)00228-5

Simulated results from a detailed elementary reaction mechanism for nitrogen-containing species in flames consisting of hydrogen, C
1 or C
2 fuels are presented, and compared with bulk experimental measurements of nitrogen-containing species in a variety of combustion systems including flow reactors, perfectly stirred reactors, and low pressure laminar flames. Sensitivity analysis has been employed to highlight the important reactions of nitrogenous species in each system. The rate coefficients for these reactions have been compared against the expressions used in three other recent reaction mechanisms: version 3.0 of the GRI mechanism, the mechanism of Glarborg, Miller and co-workers, and that of Dean and Bozzelli. Such comparisons indicate that there are still large discrepancies in the reaction mechanisms used to describe nitrogen chemistry in combustion systems. Reactions for which further measurements and evaluations are required are identified and the differences between the major mechanisms available are clearly demonstrated.