On the solvation of ions in small water droplets
(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:
https://lup.lub.lu.se/record/152777
- author
- Hagberg, Daniel LU ; Brdarski, S and Karlström, Gunnar LU
- organization
- publishing date
- 2005
- 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
- 2023-04-07 19:37:14
@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}}, }