On the solvation of ions in small water droplets.
The solvations of positively and negatively charged model ions in water droplets have been studied using Monte Carlo simulations performed with a polarizable intermolecular potential function model. Special focus has been placed on the position of the ion in the water droplet. It was found that the sign of the ionic charge is of minor importance but an increased ionic charge localizes the ion to the central regions of the droplet, whereas a large polarizability and a large ionic radius favor locations close to the surface of the water droplet.
Hagberg
Daniel
D
Department of Theoretical Chemistry, University of Lund, S-221 00 Lund, Sweden. daniel.hagberg@teokem.lu.se
Brdarski
Steve
S
Karlström
Gunnar
G