McMillan–Mayer theory for solvent effects in inhomogeneous systems: Calculation of interaction pressure in aqueous electrical double layers
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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]
Collections | ANU Research Publications |
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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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01_Kjellander_McMillan–Mayer_theory_for_2001.pdf | 501.11 kB | Adobe PDF |
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