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Modelling specific ion effects with the continuum solvent

Duignan, Timothy Thomas

Description

Electrolyte solutions play a central role in many processes from industry to biology. Understanding and building predictive models of their properties has therefore been a fundamental goal of physical chemistry from its beginnings. The challenge remains. In this thesis I outline a continuum solvent model of univalent monatomic ions in water. This model calculates the free energy of: 1) a single ion in bulk, 2) of an ion approaching the air–water interface and 3) of two ions...[Show more]

CollectionsOpen Access Theses
Date published: 2015-01
Type: Thesis (PhD)
URI: http://hdl.handle.net/1885/13642

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