Water Effect on the OH + HCl Reaction

Buszek, R. J., J. Barker, and J. S. Francisco (2012), Water Effect on the OH + HCl Reaction, J. Phys. Chem. A, 116, 4712-4719, doi:10.1021/jp3025107.
Abstract: 

Hydrochloric acid is a major reservoir for chlorine radicals in the atmosphere. Chlorine radicals are chemically reactivated by the relatively slow attack of OH radical on HCl. Through the formation of hydrogen-bonded complexes, water has a dramatic effect on the rate of this reaction. The introduction of water opens several new reaction pathways with rate coefficients that are faster than the “bare” reaction. Accounting for the low fraction of hydrogen bonded water complexes in the atmosphere, the present results suggest that these new mechanisms involving water can contribute, although modestly, to the total chemical reactivation of chlorine from HCl in the lower troposphere. The first reported value for the equilibrium constant for the formation of H2O·HCl complex, which is important in understanding the removal of HCl from the atmosphere by deposition, is presented.

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Research Program: 
Upper Atmosphere Research Program (UARP)