Sulfur dioxide is a major atmospheric component and is introduced into the environment both naturally and industrially.  However, under certain conditions, sulfur dioxide can cause acid rain and cloud nucleation.  Therefore, it is imperative to understand how sulfur dioxide adsorbs onto aqueous surfaces at the molecular level and in particular, ionic aqueous solutions.  This adsorption process was modeled using classical molecular dynamics, which provides a detailed picture of the adsorption process. From the simulation data we were able to perform statistical analysis to determine interfacial density and molecular orientation for both water and sulfur dioxide.  It was found that relatively high concentrations of ions in the aqueous solution hinder the sulfur dioxide's ability to adsorb onto surface which decreases the solubility of the sulfur dioxide.

Sulfur dioxide adsorption at surfaces of ionic aqueous solutions

245th National Meeting (2013)

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