Strong enrichment of atmospherically relevant organic ions at the aqueous interface : The role of ion pairing and cooperative effects
Ekholm, Victor LU ; Caleman, Carl ; Bjärnhall Prytz, Nicklas ; Walz, Marie Madeleine ; Werner, Josephina ; Öhrwall, Gunnar LU
; Rubensson, Jan Erik
and Björneholm, Olle
LU
(2018)
In Physical Chemistry Chemical Physics
20(42).
p.27185-27191
- Abstract
Surface affinity, orientation and ion pairing are investigated in mixed and single solute systems of aqueous sodium hexanoate and hexylammonium chloride. The surface sensitive X-ray photoelectron spectroscopy technique has been used to acquire the experimental results, while the computational data have been calculated using molecular dynamics simulations. By comparing the single solute solutions with the mixed one, we observe a non-linear surface enrichment and reorientation of the organic ions with their alkyl chains pointing out of the aqueous surface. We ascribe this effect to ion paring between the charged functional groups on the respective organic ion and hydrophobic expulsion of the alkyl chains from the surface in combination... (More)
Surface affinity, orientation and ion pairing are investigated in mixed and single solute systems of aqueous sodium hexanoate and hexylammonium chloride. The surface sensitive X-ray photoelectron spectroscopy technique has been used to acquire the experimental results, while the computational data have been calculated using molecular dynamics simulations. By comparing the single solute solutions with the mixed one, we observe a non-linear surface enrichment and reorientation of the organic ions with their alkyl chains pointing out of the aqueous surface. We ascribe this effect to ion paring between the charged functional groups on the respective organic ion and hydrophobic expulsion of the alkyl chains from the surface in combination with van der Waals interactions between the alkyl chains. These cooperative effects lead to a substantial surface enrichment of organic ions, with consequences for aerosol surface properties.
(Less)
- author
- Ekholm, Victor
LU
; Caleman, Carl
; Bjärnhall Prytz, Nicklas
; Walz, Marie Madeleine
; Werner, Josephina
; Öhrwall, Gunnar
LU
; Rubensson, Jan Erik
and Björneholm, Olle
LU
- organization
- publishing date
- 2018
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Physical Chemistry Chemical Physics
- volume
- 20
- issue
- 42
- pages
- 7 pages
- publisher
- Royal Society of Chemistry
- external identifiers
-
- pmid:30339167
- scopus:85055672804
- ISSN
- 1463-9076
- DOI
- 10.1039/c8cp04525a
- language
- English
- LU publication?
- yes
- id
- 18a18f65-f54f-44e9-a87e-60cbbe5dd7f7
- date added to LUP
- 2022-03-29 15:49:52
- date last changed
- 2024-07-03 18:41:29
@article{18a18f65-f54f-44e9-a87e-60cbbe5dd7f7,
abstract = {{<p>Surface affinity, orientation and ion pairing are investigated in mixed and single solute systems of aqueous sodium hexanoate and hexylammonium chloride. The surface sensitive X-ray photoelectron spectroscopy technique has been used to acquire the experimental results, while the computational data have been calculated using molecular dynamics simulations. By comparing the single solute solutions with the mixed one, we observe a non-linear surface enrichment and reorientation of the organic ions with their alkyl chains pointing out of the aqueous surface. We ascribe this effect to ion paring between the charged functional groups on the respective organic ion and hydrophobic expulsion of the alkyl chains from the surface in combination with van der Waals interactions between the alkyl chains. These cooperative effects lead to a substantial surface enrichment of organic ions, with consequences for aerosol surface properties.</p>}},
author = {{Ekholm, Victor and Caleman, Carl and Bjärnhall Prytz, Nicklas and Walz, Marie Madeleine and Werner, Josephina and Öhrwall, Gunnar and Rubensson, Jan Erik and Björneholm, Olle}},
issn = {{1463-9076}},
language = {{eng}},
number = {{42}},
pages = {{27185--27191}},
publisher = {{Royal Society of Chemistry}},
series = {{Physical Chemistry Chemical Physics}},
title = {{Strong enrichment of atmospherically relevant organic ions at the aqueous interface : The role of ion pairing and cooperative effects}},
url = {{http://dx.doi.org/10.1039/c8cp04525a}},
doi = {{10.1039/c8cp04525a}},
volume = {{20}},
year = {{2018}},
}