On the microscopic origin of Soret coefficient minima in liquid mixtures
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Supporting information
Author(s)
Gittus, Oliver R
Bresme, Fernando
Type
Journal Article
Abstract
Temperature gradients induce mass separation in mixtures in a process called thermodiffusion and quantified by the Soret coefficient. The existence of minima in the Soret coefficient of aqueous solutions at specific salt concentrations was controversial until fairly recently, where a combination of experiments and simulations provided evidence for the existence of this physical phenomenon. However, the physical origin of the minima and more importantly its generality, e.g. in non-aqueous liquid mixtures, is still an outstanding question. Here, we report the existence of a minimum in liquid mixtures of non-polar liquids modelled as Lennard-Jones mixtures, demonstrating the generality of minima in the Soret coefficient. The minimum originates from a coincident minimum in the thermodynamic factor, and hence denotes a maximization of non-ideality mixing conditions. We rationalize the microscopic origin of this effect in terms of the atomic coordination structure of the mixtures.
Date Issued
2022-12-12
Date Acceptance
2022-12-10
Citation
Physical Chemistry Chemical Physics, 2022, 25 (3), pp.1606-1611
ISSN
1463-9076
Publisher
Royal Society of Chemistry
Start Page
1606
End Page
1611
Journal / Book Title
Physical Chemistry Chemical Physics
Volume
25
Issue
3
Copyright Statement
© the Owner Societies 2023. This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
License URL
Identifier
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000901486400001&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=1ba7043ffcc86c417c072aa74d649202
Subjects
Chemistry
Chemistry, Physical
ELECTROLYTE
HEAT
MUTUAL DIFFUSION-COEFFICIENTS
NEW-MODEL
Physical Sciences
Physics
Physics, Atomic, Molecular & Chemical
Science & Technology
TEMPERATURE
THERMAL-DIFFUSION
THERMODYNAMIC THEORY
TRANSPORT
Publication Status
Published
Date Publish Online
2022-12-12