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Co-Ion and Ion Competition Effects: Ion Distributions Close to a Hydrophobic Solid Surface in Mixed Electrolyte Solutions

Lima, E.R.A. ; Boström, M. ; Horinek, Dominik ; Netz, R.R ; Biscaia, E.C. ; Kunz, Werner ; Tavares, F.W.



Abstract

We consider within a modified Poisson-Boltzmann theory an electrolyte, with different mixts. of NaCl and NaI, near uncharged and charged solid hydrophobic surfaces. The parametrized potentials of mean force acting on Na+, Cl-, and I- near an uncharged self-assembled monolayer were deduced from mol. simulations with polarizable force fields. We study what happens when the surface presents neg. ...

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