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McMillan–Mayer theory for solvent effects in inhomogeneous systems: Calculation of interaction pressure in aqueous electrical double layers

Kjellander, Roland; Lyubartsev, Alexander P.; Marčelja, Stjepan

Description

We demonstrate how to use the McMillan–Mayer theory to include solvent effects in effective solute–solute interactions for inhomogeneous systems, extending a recent derivation [S. Marčelja, Langmuir 16, 6081 (2000)] for symmetric planar double layers to the general case. In the exact treatment, the many-body potential of mean force between the solute molecules can be evaluated for an inhomogeneous reference system in equilibrium with pure bulk solvent. The reference system contains only solvent...[Show more]

CollectionsANU Research Publications
Date published: 2001-06-01
Type: Journal article
URI: http://hdl.handle.net/1885/15942
Source: The Journal of Chemical Physics
DOI: 10.1063/1.1366639

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