We have performed simulations of the nucleation of water in a variety of ion pair systems formed from the acid-base reaction of sulfuric acid, water, ammonia, and amines. These simulations have shown that while not as effective as single ions, ion pairs can still significantly enhance the nucleation of water. A major factor limiting the effectiveness of the ion pairs considered here is their tendency to form contact pairs in small clusters, which limits the ability of water to solvate both ions. However, ion pairs still significantly enhance the nucleation of water and may be present in substantially higher concentration in the atmosphere than single ions. An analysis of the free energy profiles indicates that the relative stability of small clusters does not correlate well with the relative barrier heights, underscoring the importance of considering the entire free energy profile.<br/>

Enhancement of atmospheric nucleation by ion pairs

253rd National Meeting (2017)

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