On the solvation of ions in small water droplets
Publikation/Tidskrift/Serie: The Journal of Physical Chemistry Part B
Dokumenttyp: Artikel i tidskrift
Förlag: The American Chemical Society
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.
- Theoretical Chemistry
- ISSN: 1520-5207