Relative kinetic measurements of rate coefficients for the gas-phase reactions of Cl atoms and OH radicals with a series of methyl alkyl esters |
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| Authors: | Nicole Schütze Xiaoyin Zhong Stefan Kirschbaum Iustinian Bejan Ian Barnes Thorsten Benter |
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| Affiliation: | 1. Department of Chemistry, Bielefeld University, D-33615 Bielefeld, Germany;2. Physico Chemical Fundamentals of Combustion, RWTH Aachen University, D-52056 Aachen, Germany;3. VITO, Flemish Institute for Technological Research, Boeretang 200, BE-2400 Mol, Belgium;4. Department 3.3-Physico Chemical Material Properties and Pressure, PTB Braunschweig, D-38166 Braunschweig, Germany;1. Key Laboratory for Surface Engineering and Remanufacturing of Shaanxi Province, Xi’an University, Xi’an 710065, China;2. School of Chemical Engineering, Xi’an University, Xi’an 710065, China;3. School of Chemistry and Environment, Weinan Normal University, Weinan, Shaanxi 714000, China;1. Clean Combustion Research Center, Division of Physical Sciences and Engineering, King Abdullah University of Science and Technology (KAUST), Thuwal 23955, Saudi Arabia;2. Saudi Aramco Research and Development Center, Fuel Technology R&D Division, Dhahran 31311, Saudi Arabia;1. Faculté des Sciences Exactes et Informatique Département de Chimie, Université de Mohamed Seddik Ben Yahia, B.P. 98, Ouled Aissa, Jijle 18000, Algeria;2. Laboratoire LCCE, Faculté des sciences, Université de Batna, rue Boukhlouf El Hadi, 05000 Batna, Algeria;3. Institut de Physique de Rennes, UMR 6251 du CNRS, Université de Rennes 1, Bat. 11c, Campus de Beaulieu, 35042 Rennes Cedex, France;4. GSMA-UMR CNRS 7331, UFR Sciences, université Reims Champagne Ardenne, BP 1039, 51687 Reims Cedex 02, France |
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| Abstract: | Relative kinetic studies have been performed on the reactions of Cl atoms with a series of methyl alkyl esters in a 405-liter borosilicate glass chamber at (298 ± 3) K and one atmosphere of synthetic air using in situ FTIR spectroscopy to monitor the reactants. Rate coefficients (in units of cm3 molecule?1 s?1) were determined for the following compounds: methyl acetate (2.48 ± 0.58) × 10?12; methyl propanoate (1.68 ± 0.36) × 10?11; methyl butanoate (4.77 ± 0.87) × 10?11; methyl pentanoate (7.84 ± 1.15) × 10?11; methyl hexanoate (1.09 ± 0.31) × 10?10; methyl heptanoate (1.56 ± 0.37) × 10?10; methyl cyclohexane carboxylate (3.32 ± 0.76) × 10?10; methyl-2-methyl butanoate (9.41 ± 1.39) × 10?11.In addition rate coefficients (in units of 10?11 cm3 molecule?1 s?1) have been obtained for the reactions of OH radicals with the following compounds: methyl butanoate (3.55 ± 0.71), methyl pentanoate (5.41 ± 1.08), and methyl-2-methyl butanoate (4.08 ± 0.82).Using the kinetic rate data tropospheric lifetimes for the methyl alkyl esters with respect to their reactions with OH, and Cl have been estimated for typical ambient air concentrations of these oxidants. |
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