Mechanism and modeling of hydrogen cyanide oxidation in a flow reactor
- Technical Univ. of Denmark, Lyngby (Denmark). Dept. of Chemical Engineering
- Sandia National Laboratories, Livermore, CA (United States). Combustion Research Facility
The study is based mainly on experimental data from the literature on the effect of NO and CO on HCN oxidation, emphasizing N[sub 2]O formation. However, additional experiments were conducted during the present work in order to investigate the importance of HNCO as an intermediate. The experimental data are compared with model predictions, using a revised reaction mechanism for HCN oxidation. Recent advances in the knowledge of thermodynamic properties for CN, NCO, and HNCO, as well as of the mechanism and rate constants for a number of key reactions have reduced the uncertainty in the model considerably. Compared with the previous HCN oxidation models, particularly the prediction of N[sub 2]O is significantly improved, aided by better knowledge about the NCO + NO reaction. Under the conditions investigated, the main oxidation CN + O[sub 2] [yields] NCO + O. The subsequent reactions of NCO determine the fate of the nitrogen atom. Depending on the gas composition and temperature, NCO is converted to HNCO (by reaction with H[sub 2]O or HCN), N[sub 2]O/N[sub 2] (by reaction with NO) or NO (by reaction with O). Both HNCO and N[sub 2]O are important intermediates in HCN oxidation under these conditions. The present results are significant for understanding the fate of reactive nitrogen in fluidized bed combustion and staged combustion, particularly the formation and destruction of N[sub 2]O.
- OSTI ID:
- 6798874
- Report Number(s):
- CONF-940711--
- Journal Information:
- Combustion and Flame; (United States), Journal Name: Combustion and Flame; (United States) Vol. 99:3-4; ISSN CBFMAO; ISSN 0010-2180
- Country of Publication:
- United States
- Language:
- English
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CARBON COMPOUNDS
CARBON MONOXIDE
CARBON OXIDES
CHALCOGENIDES
CHEMICAL REACTION KINETICS
CHEMICAL REACTION YIELD
CHEMICAL REACTIONS
COMBUSTION
COMBUSTION KINETICS
CYANIDES
FLUIDIZED-BED COMBUSTION
FUELS
HYDROCYANIC ACID
HYDROGEN COMPOUNDS
INORGANIC ACIDS
ISOCYANATES
KINETICS
MATHEMATICAL MODELS
NITRIC OXIDE
NITROGEN COMPOUNDS
NITROGEN OXIDES
NITROUS OXIDE
OXIDATION
OXIDES
OXYGEN COMPOUNDS
REACTION INTERMEDIATES
REACTION KINETICS
STAGED COMBUSTION
THERMOCHEMICAL PROCESSES
YIELDS