Duignan, Timothy; Parsons, Drew; Ninham, Barry
The distribution of hydronium and hydroxide ions at the air-water interface has been a problem of much interest in recent years. Here we explore what insights can be gained from a continuum solvent model. We extend our model of ionic solvation free energies and surface interaction free energies to include hydronium and hydroxide. The hydronium cation is attracted to the air-water interface, whereas the hydroxide anion is repelled. If the cavity size parameters required by the model are adjusted...[Show more]
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