On the solvation of ions in small water droplets

Daniel Hagberg, S Brdarski, Gunnar Karlström

Research output: Contribution to journalArticlepeer-review

Abstract

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.
Original languageEnglish
Pages (from-to)4111-4117
JournalThe Journal of Physical Chemistry Part B
Volume109
Issue number9
DOIs
Publication statusPublished - 2005

Bibliographical note

The information about affiliations in this record was updated in December 2015.
The record was previously connected to the following departments: Theoretical Chemistry (S) (011001039)

Subject classification (UKÄ)

  • Theoretical Chemistry

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