Lima, E. R. A. and Bostroem, M. and Horinek, D. and Biscaia, E. C. and Kunz, W. and Tavares, F. W. (2008) Co-ion and ion competition effects: Ion distributions close to a hydrophobic solid surface in mixed electrolyte solutions. LANGMUIR, 24 (8). pp. 3944-3948. ISSN 0743-7463,
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We consider within a modified Poisson-Boltzmann theory an electrolyte, with different mixtures 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 molecular simulations with polarizable force fields. We study what happens when the surface presents negative charges. At moderately charged surfaces, we observe strong co-ion adsorption and clear specific ion effects at biological concentrations. At high surface charge densities, the co-ions are pushed away from the interface. We predict that Cl- ions can also be excluded from the surface by increasing the concentration of NaI. This ion competition effect (I- versus Cl-) may be relevant for ion-specific partitioning in multiphase systems where polarizable ions accumulate in phases with large surface areas.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | INTERFACE; MACROMOLECULES; ADSORPTION; TENSION; FORCES; |
| Subjects: | 500 Science > 540 Chemistry & allied sciences |
| Divisions: | Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 04 Nov 2020 08:05 |
| Last Modified: | 04 Nov 2020 08:05 |
| URI: | https://pred.uni-regensburg.de/id/eprint/31047 |
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