Modeling the gas-phase kinetics of fuel-nitrogen reactions. Final report. [Fuel nitrogen to NO]

Technical Report · Sat May 01 04:00:00 EDT 1976

DOI:https://doi.org/10.2172/7295131· OSTI ID:7295131

Caretto, L. S.

A mathematical model has been developed for the premixed, gas-phase kinetics of the conversion of fuel nitrogen to nitric oxide. This model is based on the assumption that the combustion kinetics can be modeled by the quasi-global rate mechanism, and the further assumption that the kinetics of the fuel nitrogen can be accounted for by considering all the fuel nitrogen to react to form a reactive, nitrogen-containing, intermediate compound (such as CN, NH, or N atoms) on the same time scale as combustion reactions of the carbon and hydrogen in the fuel. This intermediate is called the model compound. Detailed kinetic steps are then used to model the reactions of the CO-to-CO/sub 2/ conversion and the reactions by which the reactive nitrogen-containing intermediate forms nitric oxide. Equally important are the reactions by which this reactive nitrogen intermediate forms stable compounds such as N/sub 2/, and thus does not form nitric oxide. It was necessary to make many assumptions in using the model and, because of the approximations resulting from these assumptions, a simplified mechanism was sought consistent with the other portions of the model. The simplified mechanism, which gave good approximation to the fuel nitrogen reactions, assumed that all fuel nitrogen forms N atoms which then react to form NO and N/sub 2/ via the Zeldovich mechanism. This simple model was as good as any other used. It was not capable, however, of providing details of intermediate reactions of C-N (triple bonded) or N-H bonded species. Both sets of computations did show, however, that the conversion of fuel nitrogen to nitric oxide was rapid (taking place on the same time scale as the other combustion reactions). The computed results give predicted trends in accord with experimental observations.

• Research Organization: KVB Engineering, Inc., Tustin, Calif. (USA)
• OSTI ID: 7295131
• Report Number(s): EPRI-FP-173
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400800* -- Combustion
Pyrolysis
& High-Temperature Chemistry
CHALCOGENIDES
CHEMICAL REACTION KINETICS
CHEMICAL REACTION YIELD
CHEMICAL REACTIONS
COMBUSTION
KINETICS
MATHEMATICAL MODELS
NITRIC OXIDE
NITROGEN COMPOUNDS
NITROGEN OXIDES
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
OXIDATION
OXIDES
OXYGEN COMPOUNDS
REACTION KINETICS
YIELDS