Lima, E.R.A. and Boström, M. and Horinek, Dominik and Netz, R.R and Biscaia, E.C. and Kunz, Werner 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.
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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. charges. At moderately charged surfaces, we observe strong co-ion adsorption and clear specific ion effects at biol. concns. 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 concn. of NaI. This ion competition effect (I- vs. Cl-) may be relevant for ion-specific partitioning in multiphase systems where polarizable ions accumulate in phases with large surface areas.
|Institutions:||Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry VI - Physical Chemistry (Solution Chemistry) > Prof. Dr. Werner Kunz|
|Keywords:||ion distribution hydrophobic solid surface mixed electrolyte soln|
|Subjects:||500 Science > 540 Chemistry & allied sciences|
|Refereed:||Yes, this version has been refereed|
|Created at the University of Regensburg:||Yes|
|Deposited On:||22 May 2012 09:23|
|Last Modified:||22 May 2012 09:23|