Polarizable Ions at Interfaces
Abstract
A nonperturbative theory is presented which allows us to calculate the solvation free energy of polarizable ions near water-vapor and water-oil interfaces. The theory predicts that larger halogen anions are adsorbed at the interface, while the alkali metal cations are repelled from it. The density profiles calculated theoretically are similar to those obtained using molecular dynamics simulations with polarizable force fields.
- Publication:
-
Physical Review Letters
- Pub Date:
- April 2009
- DOI:
- arXiv:
- arXiv:0812.3784
- Bibcode:
- 2009PhRvL.102n7803L
- Keywords:
-
- 61.20.Qg;
- 05.20.-y;
- 82.45.Gj;
- Structure of associated liquids: electrolytes molten salts etc.;
- Classical statistical mechanics;
- Electrolytes;
- Condensed Matter - Soft Condensed Matter;
- Condensed Matter - Statistical Mechanics
- E-Print:
- Phys. Rev. Lett. 102,147803 (2009)