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Succinic acid in aqueous solution: connecting microscopic surface composition and macroscopic surface tension

Werner, Josephina and Julin, Jan and Dalirian, Maryam and Prisle, Nønne and Öhrwall, Gunnar and Persson, Ingmar and Björneholm, Olle and Riipinen, Ilona (2014). Succinic acid in aqueous solution: connecting microscopic surface composition and macroscopic surface tension. Physical Chemistry Chemical Physics. 16:39, 21486-21495
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Official URL: http://dx.doi.org/10.1039/c4cp02776k

Abstract

The water-vapor interface of aqueous solutions of succinic acid, where pH values and bulk concentrations were varied, has been studied using surface sensitive X-ray photoelectron spectroscopy (XPS) and molecular dynamics (MD) simulations. It was found that succinic acid has a considerably higher propensity to reside in the aqueous surface region than its deprotonated form, which is effectively depleted from the surface due to the two strongly hydrated carboxylate groups. From both XPS experiments and MD simulations a strongly increased concentration of the acid form in the surface region compared to the bulk concentration was found and quantified. Detailed analysis of the surface of succinic acid solutions at different bulk concentrations led to the conclusion that succinic acid saturates the aqueous surface at high bulk concentrations. With the aid of MD simulations the thickness of the surface layer could be estimated, which enabled the quantification of surface concentration of succinic acid as a multiple of the known bulk concentration. The obtained enrichment factors were successfully used to model the surface tension of these binary aqueous solutions using two different models that account for the surface enrichment. This underlines the close correlation of increased concentration at the surface relative to the bulk and reduced surface tension of aqueous solutions of succinic acid. The results of this study shed light on the microscopic origin of surface tension, a macroscopic property. Furthermore, the impact of the results from this study on atmospheric modeling is discussed.

Authors/Creators:Werner, Josephina and Julin, Jan and Dalirian, Maryam and Prisle, Nønne and Öhrwall, Gunnar and Persson, Ingmar and Björneholm, Olle and Riipinen, Ilona
Title:Succinic acid in aqueous solution: connecting microscopic surface composition and macroscopic surface tension
Series/Journal:Physical Chemistry Chemical Physics (1463-9084)
Year of publishing :2014
Volume:16
Number:39
Page range:21486-21495
Number of Pages:10
Publisher:Royal Society of Chemistry
ISSN:1463-9084
Language:English
Publication Type:Journal article
Refereed:Yes
Article category:Scientific peer reviewed
Version:Accepted version
Full Text Status:Public
Agris subject categories.:X Agricola extesions > X50 Chemistry
Subjects:(A) Swedish standard research categories 2011 > 1 Natural sciences > 104 Chemical Sciences > Physical Chemistry
Agrovoc terms:succinic acid, aerosols, volatile compounds
Keywords:succinic acid, aerosols, volatile compounds
URN:NBN:urn:nbn:se:slu:epsilon-e-3016
Permanent URL:
http://urn.kb.se/resolve?urn=urn:nbn:se:slu:epsilon-e-3016
Additional ID:
Type of IDID
DOI10.1039/c4cp02776k
ID Code:11589
Faculty:NJ - Fakulteten för naturresurser och jordbruksvetenskap
Department:(NL, NJ) > Department of Chemistry and Biotechnology (140101-161231)
Deposited By: SLUpub Connector
Deposited On:27 Oct 2015 06:35
Metadata Last Modified:28 Feb 2016 02:03

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