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Collins's rule, Hofmeister effects and ionic dispersion interactions

Duignan, Timothy; Parsons, Drew; Ninham, Barry

Description

Models based solely on electrostatics cannot explain ion specific properties of electrolyte solutions. We give calculations of dispersion interactions of ions with other ions and with water molecules. These are done via ab initio Symmetry Adapted Perturbation Theory with Density Functional Theory (DFT-SAPT). The calculations establish the substantial, specific contribution of dispersion interactions to ionic interactions. They explain several puzzling properties of electrolyte solutions: the...[Show more]

CollectionsANU Research Publications
Date published: 2014
Type: Journal article
URI: http://hdl.handle.net/1885/73797
Source: Chemical Physics Letters
DOI: 10.1016/j.cplett.2014.05.056

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