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November 29, 2007Physical Review Letters187 citations

Specific Ion Adsorption at Hydrophobic Solid Surfaces

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DHDominik HorinekRNRoland R. Netz

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Abstract

Molecular dynamics simulations of ions at a hydrophobic self-assembled monolayer with polarizable force fields for water and ions are used to extract potentials of mean force for Na+ and the halide ions Cl-, Br-, and I-. Similar to the air-water interface, the large halide ions are attracted to the surface, which is traced back to surface-modified ion hydration. The total effective interaction is parametrized and used within Poisson-Boltzmann theory to calculate surface potentials and interfacial tensions at finite ion concentration in qualitative agreement with experiments.

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Cite This Study

Horinek et al. (2007) studied this question.

synapsesocial.com/papers/6a345b3a2e3fd3c171a73031https://doi.org/10.1103/physrevlett.99.226104
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