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Thermal decomposition of peroxyacetyl nitrate in the presence of nitric oxide

Journal Article · · Environ. Sci. Technol.; (United States)
DOI:https://doi.org/10.1021/es60132a010· OSTI ID:6541998

The thermal reactions occurring in mixtures containing peroxyacetyl nitrate and nitric oxide at part-per-million concentrations in synthetic air are investigated. In the presence of NO, peroxyacetylnitrate decomposes at a measurable rate at room temperature, with accompanying oxidation of NO to NO/sub 2/. The results can be explained by a mechanism involving the following reactions: CH/sub 3/COO/sub 2/NO/sub 2/ = CH/sub 3/COO/sub 2/ + NO/sub 2/ (1), CH/sub 3/COO/sub 2/ + NO/sub 2/ = CH/sub 2/COO/sub 2/NO/sub 2/ (2), and CH/sub 3/COO/sub 2/ + NO = CH/sub 3/CO/sub 2/ + NO/sub 2/ (3). The effect of variation of the NO/NO/sub 2/ ratio and the temperature on the rate of oxidation of NO to NO/sub 2/ allows evaluation of the rate constant ratio K2/k3 = 0.54 + or - 0.17 and the Arrhenius expression k1 = 10+(14.90 + or - 0.60) exp (-104.0 + or - 3.2 kj/rt)/s. Thermochemical kinetic considerations give an approximate value for the heat of formation of peroxyacetyl nitrate, (=-241 + or - 40 kj/mol) and for the absolute value of the rate constant k2 = 1.4 x 10-12 cm/sup 3//molecule/s at 300 K. The implications of these results for the behavior of peroxyacetyl nitrate in the laboratory and in the atmosphere are discussed.

OSTI ID:
6541998
Journal Information:
Environ. Sci. Technol.; (United States), Journal Name: Environ. Sci. Technol.; (United States) Vol. 11:9; ISSN ESTHA
Country of Publication:
United States
Language:
English