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Hydronium and hydroxide at the air-water interface with a continuum solvent model

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]

CollectionsANU Research Publications
Date published: 2015
Type: Journal article
Source: Chemical Physics Letters
DOI: 10.1016/j.cplett.2015.06.002


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