We are increasingly learning about the reactivity of atmospheric constituents in gas-phase reactions and in the chemical soup within aqueous aerosols, but little is known about the role of the surface separating the two phases. Does it operate as a barrier to reactivity, as a free pathway for entry, or as a temptress that promotes gaseous uptake?  In the studies to be described, molecular dynamics simulations have been performed in conjunction with our experimental spectroscopic studies to characterize the adsorption behavior of sulfur dioxide molecules on aqueous surfaces. The studies examine the interfacial molecular changes that occur as the SO2 gas moves towards and into the water surface and the corresponding geometries and orientations of SO2 molecules binding to surface waters. The formation of hydrate structures, the bonding coordination of adsorbing SO2 molecules, and the response of the surface waters to the presence of the gas have been studied.

Doorman, barrier, or temptress: What role does a water surface play in gaseous uptake?

244th National Meeting (2012)

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