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Formation of NO from N 2 /O 2 Mixtures in a Flow Reactor: Toward an Accurate Prediction of Thermal NO
Author(s) -
Abian Maria,
Alzueta Maria U.,
Glarborg Peter
Publication year - 2015
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/kin.20929
Subject(s) - chemistry , reaction rate constant , thermodynamics , constant (computer programming) , atmospheric pressure , analytical chemistry (journal) , limit (mathematics) , kinetic energy , thermal , volumetric flow rate , value (mathematics) , chemical reaction kinetics , flow (mathematics) , chemical kinetics , kinetics , mechanics , organic chemistry , meteorology , physics , statistics , mathematical analysis , mathematics , quantum mechanics , computer science , programming language
We have conducted flow reactor experiments for NO formation from N 2 /O 2 mixtures at high temperatures and atmospheric pressure, controlling accurately temperature and reaction time. Under these conditions, atomic oxygen equilibrates rapidly with O 2 . The experimental results were interpreted by a detailed chemical model to determine the rate constant for the reaction N 2 + O ⇌ NO + N (R1). We obtain k 1 = 1.4 × 10 14 exp(−38,300/ T ) cm 3 mol −1 s −1 at 1700–1800 K, with an error limit of ±30%. This value is 25% below the recommendation of Baulch et al. for k 1 , while it corresponds to a value k 1b of the reverse reaction 25% above the Baulch et al. evaluation. Combination of our results with literature values leads to a recommended rate constant for k 1b of 9.4 × 10 12 T 0.14 cm 3 mol −1 s −1 over 250–3000 K. This value, which reconciles the differences between the forward and reverse rate constant, is recommended for use in kinetic modeling.