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Abstract
To understand the role of the functional group in affecting product formation, speciation experiments and chemical kinetics modeling were conducted on butanone oxidation at temperatures where peroxy radical reactions dominate. A jet-stirred reactor is employed, and the species profiles are measured over the temperature range 725 – 1025 K at stoichiometric conditions, residence time of 4 s, and using 5000 ppm of butanone. The effect of oxygen concentration is probed over the range 0 ≤ [O2] ≤ 4.5 1018 molecules cm–3 at 850 K, with 7500 ppm of butanone. The product species measured in the experiments were quantified via tandem vacuum ultraviolet absorption spectroscopy and electron-impact mass spectrometry. Results indicate that low-temperature oxidation of butanone is suppressed due to resonance stabilization. Discrepancies are present between model predictions and experimental data, especially at high O¬2 conditions.