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Rate coefficients for the OH + acetaldehyde (CH3CHO) reaction between 204 and 373 K

✍ Scribed by Lei Zhu; Ranajit K. Talukdar; James B. Burkholder; A. R. Ravishankara

Publisher
John Wiley and Sons
Year
2008
Tongue
English
Weight
458 KB
Volume
40
Category
Article
ISSN
0538-8066

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✦ Synopsis

Abstract

The rate coefficient, k~1~, for the gas‐phase reaction OH + CH~3~CHO (acetaldehyde) → products, was measured over the temperature range 204–373 K using pulsed laser photolytic production of OH coupled with its detection via laser‐induced fluorescence. The CH~3~CHO concentration was measured using Fourier transform infrared spectroscopy, UV absorption at 184.9 nm and gas flow rates. The room temperature rate coefficient and Arrhenius expression obtained are k~1~(296 K) = (1.52 ± 0.15) × 10^−11^ cm^3^ molecule^−1^ s^−1^ and k~1~(T) = (5.32 ± 0.55) × 10^−12^ exp[(315 ± 40)/T] cm^3^ molecule^−1^ s^−1^. The rate coefficient for the reaction OH (ν = 1) + CH~3~CHO, k~7~(T) (where k~7~ is the rate coefficient for the overall removal of OH (ν = 1)), was determined over the temperature range 204–296 K and is given by k~7~(T) = (3.5 ± 1.4) × 10^−12^ exp[(500 ± 90)/T], where k~7~(296 K) = (1.9 ± 0.6) × 10^−11^ cm^3^ molecule^−1^ s^−1^. The quoted uncertainties are 2σ (95% confidence level). The preexponential term and the room temperature rate coefficient include estimated systematic errors. k~7~ is slightly larger than k~1~ over the range of temperatures included in this study. The results from this study were found to be in good agreement with previously reported values of k~1~(T) for temperatures <298 K. An expression for k~1~(T), suitable for use in atmospheric models, in the NASA/JPL and IUPAC format, was determined by combining the present results with previously reported values and was found to be k~1~(298 K) = 1.5 × 10^−11^ cm^3^ molecule^−1^ s^−1^, f(298 K) = 1.1, E/R = 340 K, and Δ E/R (or g) = 20 K over the temperature range relevant to the atmosphere. © 2008 Wiley Periodicals, Inc. Int J Chem Kinet 40: 635–646, 2008

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