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Experimental and kinetic modeling of the reduction of NO by isobutane in a Jsr at 1 atm
Author(s) -
Dagaut Philippe,
Luche Jocelyn,
Cathonnet Michel
Publication year - 2000
Publication title -
international journal of chemical kinetics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.341
H-Index - 68
eISSN - 1097-4601
pISSN - 0538-8066
DOI - 10.1002/(sici)1097-4601(2000)32:6<365::aid-kin3>3.0.co;2-g
Subject(s) - isobutane , chemistry , propene , kinetic energy , methane , acetylene , propane , analytical chemistry (journal) , catalysis , organic chemistry , physics , quantum mechanics
Abstract A kinetic study of the reduction of nitric oxide (NO) by isobutane in simulated conditions of the reburning zone was carried out in a fused silica jet‐stirred reactor operating at 1 atm, at temperatures ranging from 1100 to 1450 K. In this new series of experiments, the initial mole fraction of NO was 1000 ppm, that of isobutane was 2200 ppm, and the equivalence ratio was varied from 0.75 to 2. It was demonstrated that for a given temperature, the reduction of NO is favored when the temperature is increased and a maximum NO reduction occurs slightly above stoichiometric conditions. The present results generally follow those reported in previous studies of the reduction of NO by C 1 to C 3 hydrocarbons or natural gas as reburn fuel. A detailed chemical kinetic modeling of the present experiments was performed using an updated and improved kinetic scheme (979 reversible reactions and 130 species). An overall reasonable agreement between the present data and the modeling was obtained. Furthermore, the proposed kinetic mechanism can be successfully used to model the reduction of NO by ethylene, ethane, acetylene, a natural gas blend (methane‐ethane 10:1), propene, and HCN. According to this study, the main route to NO reduction by isobutane involves ketenyl radical. The model indicates that the reduction of NO proceeds through the reaction path: iC 4 H 10 → C 3 H 6 → C 2 H 4 → C 2 H 3 → C 2 H 2 → HCCO; HCCO + NO → HCNO + CO and HCN + CO 2 ; HCNO + H → HCN → NCO → NH; NH + NO → N 2 and NH + H → followed by N + NO → N 2 ; NH + NO → N 2 O followed by N 2 O + H → N 2 . © 2000 John Wiley & Sons, Inc. Int J Chem Kinet 32: 365–377, 2000