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On the solvation of ions in small water droplets

Hagberg, Daniel LU ; Brdarski, S and Karlström, Gunnar LU (2005) In The Journal of Physical Chemistry Part B 109(9). p.4111-4117
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.
Please use this url to cite or link to this publication:
author
; and
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
The Journal of Physical Chemistry Part B
volume
109
issue
9
pages
4111 - 4117
publisher
The American Chemical Society (ACS)
external identifiers
  • wos:000227479400061
  • scopus:15744405092
  • pmid:16851470
ISSN
1520-5207
DOI
10.1021/jp045081q
language
English
LU publication?
yes
additional info
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)
id
750beccb-32a2-4a37-a215-3bacabf297c0 (old id 152777)
date added to LUP
2016-04-01 15:59:47
date last changed
2021-09-15 01:16:56
@article{750beccb-32a2-4a37-a215-3bacabf297c0,
  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.},
  author       = {Hagberg, Daniel and Brdarski, S and Karlström, Gunnar},
  issn         = {1520-5207},
  language     = {eng},
  number       = {9},
  pages        = {4111--4117},
  publisher    = {The American Chemical Society (ACS)},
  series       = {The Journal of Physical Chemistry Part B},
  title        = {On the solvation of ions in small water droplets},
  url          = {http://dx.doi.org/10.1021/jp045081q},
  doi          = {10.1021/jp045081q},
  volume       = {109},
  year         = {2005},
}