McMillan–Mayer theory for solvent effects in inhomogeneous systems: Calculation of interaction pressure in aqueous electrical double layers
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]
|Collections||ANU Research Publications|
|Source:||The Journal of Chemical Physics|
|01_Kjellander_McMillan–Mayer_theory_for_2001.pdf||501.11 kB||Adobe PDF|
Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.