Continuous Self-Energy of Ions at the Dielectric Interface

Abstract

By treating both the short-range (solvation) and long-range (image force) electrostatic forces as well as charge polarization induced by these forces in a consistent manner, we obtain a simple theory for the self-energy of an ion that is continuous across the interface. Along with nonelectrostatic contributions, our theory enables a unified description of ions on both sides of the interface. Using intrinsic parameters of the ions, we predict the specific ion effect on the interfacial affinity of halogen anions at the water-air interface, and the strong adsorption of hydrophobic ions at the water-oil interface, in agreement with experiments and atomistic simulations.

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