In recent years advanced experimental and computational methods have begun to probe the underlying structure and dynamics directly at the liquid:liquid interface.  This talk will provide an overview of key concepts as well as recent computational research regarding the physico-chemical characteristics of solvents and solutes directly within the phase boundary. The Identification of Truly Interfacial Molecules algorithm has been used, alongside standard slab analyses relative to the Gibbs dividing surface, to characterize the capillary wave front at the phase boundary and its influence upon successive layers moving into the bulk solution. The impact that these features have upon solute transport across the phase boundary (specifically for metal-ligand complexes), will be discussed.<br/> <br/>

Foundational characteristics of interfacial regions relevant to solvent extraction

254th National Meeting (2017)

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