Polarizable ions at interfaces.
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.
Levin
Yan
Y
Instituto de Física, Universidade Federal do Rio Grande do Sul, Caixa Postal 15051, CEP 91501-970, Porto Alegre, RS, Brazil.
D001704:Biopolymers / Q000737:chemistry*; D003198:Computer Simulation; D007477:Ions / Q000737:chemistry*; D008956:Models, Chemical; D055672:Static Electricity
D001704:Biopolymers; D007477:Ions