Integral equation theory for the electrode-electrolyte interface with the central force water model. Results for an aqueous solution of sodium chloride

Physics – Chemical Physics

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Submitted to the Journal of Chemical Physics, REVTeX, 34 pages, 9 figures

Scientific paper

10.1080/00268979500102881

The structure of an aqueous solution of sodium chloride at a planar electrode is investigated by integral equation techniques. With the central force water model the aqueous electrolyte is modelled as a mixture of sodium and chloride ions and partially charged hydrogen and oxygen atoms interacting via effective spherically symmetric pair potentials. The bulk correlation functions are obtained from the Ornstein-Zernike equation. With the Wertheim-Lovett-Mou-Buff equation we have calculated the density profiles at the uncharged and charged electrode. Steric interactions between the differently sized ions and the ice-like water structure near the electrode dominates the ionic distribution. This model electrolyte also responds differently to opposite charges on the electrode.

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