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

Roland Kjellander*, Alexander P. Lyubartsev, Stjepan Marčelja

*Corresponding author for this work

    Research output: Contribution to journalArticlepeer-review

    30 Citations (Scopus)

    Abstract

    The use of McMillan-Mayer theory to include solvent effects in effective solute-solute interactions for inhomogeneous systems was demonstrated. The approximation of n-body potential of mean force between the ions for cases of large n values by a sum of effective singlet and pair interactions was analyzed. It was also evaluated in presence of all n ions, i.e., at finite concentration. Double layer interaction pressure originating from the interaction between ions dissolved in aqueous electrolyte was calculated. A marked change in the behavior was noticed when there was a tendency for ions to absorb at the surfaces.

    Original languageEnglish
    Pages (from-to)9565-9577
    Number of pages13
    JournalJournal of Chemical Physics
    Volume114
    Issue number21
    DOIs
    Publication statusPublished - 1 Jun 2001

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