Exploring the chemical fate of the sulfate radical anion by reaction with sulfur dioxide in the gas phase
2014 ◽
Vol 14
(9)
◽
pp. 12863-12886
Keyword(s):
Abstract. The gas phase reaction between SO4−(H2O)n and SO2, n = 0–2, is investigated using ab initio calculations and kinetic modeling. Structures of reactants, transition states and products are reported. Our calculations predict that the SO2SO4−(H2O)n cluster ion, formed upon SO2 and SO4−(H2O)n collision, can isomerize to SO3SO3−(H2O)n. The overall reaction is SO2 oxidation by the SO4−(H2O)n anionic cluster. The results show that SO4−(H2O)n is a good SO2 oxidant, especially at low relative humidity, with a~reaction rate constant up to 1.1 × 10−10 cm3 molecule−1 s−1. At high relative humidity, instead, the re-evaporation of SO2 from the SO2SO4−(H2O)n cluster ion is favoured.
2015 ◽
Vol 15
(1)
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pp. 495-503
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1965 ◽
Vol 20
(12)
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pp. 1143-1145
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2005 ◽
Vol 66
(2-4)
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pp. 364-371
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1968 ◽
Vol 7
(4)
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pp. 319-319
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1984 ◽
Vol 88
(14)
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pp. 3123-3129
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1972 ◽
Vol 27
(1)
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pp. 89-108
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1992 ◽
Vol 97
(10)
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pp. 7287-7296
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2007 ◽
Vol 67
(10)
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pp. 2028-2034
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