Kinetic Modeling of Hydrocarbon/Nitric Oxide Interactions in a Flow Reactor

• Published in: Combustion and flame 1998-10, Vol.115 (1), p.1-27
• Main Authors: Glarborg, Peter, Alzueta, Maria U., Dam-Johansen, Kim, Miller, James A.
• Format: Article
• Language: English
• Subjects: Air pollution caused by fuel industries; Applied sciences; Energy; Energy. Thermal use of fuels; Exact sciences and technology; Pollution reduction; Stack gas and industrial effluent processing
• ISSN: 0010-2180; 1556-2921
• DOI: 10.1016/S0010-2180(97)00359-3

The reduction of nitric oxide by reaction with C 1 and C 2 hydrocarbons under reducing conditions in a flow reactor has been analyzed in terms of a detailed chemical kinetic model. The experimental data were partly adopted from previous work and partly obtained in the present study; they cover the temperature range 800–1500 K and the reburn fuels CH 4, C 2H 2, C 2H 4, C 2H 6, and natural gas. Modeling predictions indicate that, under the conditions investigated, HCCO + NO and CH 3 + NO are the reactions most important in reducing NO. The HCCO + NO reaction is the dominant reaction when using natural gas or C 2 hydrocarbons as reburn fuels. This reaction leads partly to HCNO, which is recycled to NO, and partly to HCN, which is converted to N 2 or NO. When methane or natural gas are used as reburn fuel, the CH 3 + NO reaction contributes significantly to remove NO. Modeling predictions are in reasonably good agreement with the experimental observations for the fuels investigated, even though the NO reduction potential is overpredicted for methane and underpredicted for ethane. Modeling predictions for NO are very sensitive to the formation of HCCO and to the product branching ratio for the HCCO + NO reaction. Furthermore, the present analysis indicates that more work is needed on critical steps in the hydrocarbon oxidation scheme.