Solubility of water in mixtures of (n-alkanes + n-perfluoroalkanes) and in n-perfluoroalkylalkanes: experimental and modeling with the SAFT-γ Mie group-contribution approach
File(s)
Author(s)
Morgado, Pedro
Barras, Joao
Galindo, Amparo
Jackson, George
Felipe, Eduardo
Type
Journal Article
Abstract
The solubility of water in liquid n-perfluorohexane and in an equimolar mixture of n-hexane + n-perfluorohexane is experimentally determined as a function of temperature. The solubility of water in the equimolar mixture is significantly higher than the average of the solubilities in the pure solvents suggesting, for the first time, that mixing hydrogenated and perfluorinated chains enhances the solubility of water. The solubility in the equimolar mixture of n-hexane + n-perfluorohexane is also determined theoretically with the SAFT-γ Mie group-contribution approach, allowing a direct quantitative estimate of how much the large deviations from ideality contribute to the solubility of water in the mixture. In addition, the SAFT-γ Mie approach is used to represent the solubility of water in a number of n-perfluoroalkylalkanes, covering a range of relative lengths of the hydrogenated and perfluorinated chains. The theory can be used to predict the relative extent of the solubility of water in the different solvents, in good agreement with the experimental data. This is accomplished by using a single parameter to describe the strong attractive interaction between water and the CH2CF2 group at the junction between the hydrogenated and perfluorinated segments, which is known to be responsible for the increased solubility of water in these substances.
Date Issued
2021-05-18
Date Acceptance
2021-03-22
Citation
Molecular Physics: An International Journal at the Interface Between Chemistry and Physics, 2021, 119 (15-16)
ISSN
0026-8976
Publisher
Taylor and Francis
Journal / Book Title
Molecular Physics: An International Journal at the Interface Between Chemistry and Physics
Volume
119
Issue
15-16
Copyright Statement
© 2021 The Author(s). Published by Informa UK Limited, trading as Taylor & Francis GroupThis is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use,distribution, and reproduction in any medium, provided the original work is properly cited.
License URL
(http://creativecommons.org/licenses/by/4.0/
Sponsor
Engineering & Physical Science Research Council (EPSRC)
Engineering & Physical Science Research Council (EPSRC)
Grant Number
EP/E016340/1
EP/J014958/1
Subjects
Science & Technology
Physical Sciences
Chemistry, Physical
Physics, Atomic, Molecular & Chemical
Chemistry
Physics
SAFT-g Mie
perfluoroalkanes
perfluoroalkylalkanes
water solubility
SEMIFLUORINATED NORMAL-ALKANES
DATA SERIES
PHASE-EQUILIBRIA
LIQUID-MIXTURES
HYDROCARBONS
SEAWATER
SURFACE
TRANSITIONS
MOLECULES
VISCOSITY
Chemical Physics
0202 Atomic, Molecular, Nuclear, Particle and Plasma Physics
0306 Physical Chemistry (incl. Structural)
0307 Theoretical and Computational Chemistry
Publication Status
Published
Article Number
ARTN e1910743
Date Publish Online
2021-05-18