A Diffusive Anomaly of Water in Aqueous Sodium Chloride Solutions at Low Temperatures

Kim, Jun Soo; Yethiraj, Arun

doi:10.1021/jp076710+

Cited by 41Material Dynamics and PropertiesDiffusion Coefficients in LiquidsSpectroscopy and Quantum Chemical Studies

A Diffusive Anomaly of Water in Aqueous Sodium Chloride Solutions at Low Temperatures

Kim, Jun Soo, Yethiraj, Arun·2008·The Journal of Physical Chemistry B

DOI 10.1021/jp076710+

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Abstract

Molecular dynamics simulations are presented for the self-diffusion coefficient of water in aqueous sodium chloride solutions. At temperatures above the freezing point of pure water, the self-diffusion coefficient is a monotonically decreasing function of salt concentration. Below the freezing point of pure water, however, the self-diffusion coefficient is a non-monotonic function of salt concentration, showing a maximum at approximately one molal salt. This suggests that sodium chloride, which is considered a structure-making salt at room temperature, becomes a structure-breaking salt at low temperatures. A qualitative understanding of this effect can be obtained by considering the effect of ions on the residence time of water molecules near other water molecules. A consideration of the freezing point depression of aqueous sodium chloride solutions suggests that the self-diffusion coefficient of water in supercooled sodium chloride solutions is always higher than that in pure (supercooled) water at the same temperature.

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This frustration results in an increase in mobility for the water molecule in the nano-confined gap, rendering the sheared solution more viscous.
“This results in an increase in mobility for the water molecule in the nano-confined gap, 50,69 rendering the sheared solution more viscous.”
From Lubricating properties of single metal ions at interfaces (2018) · cites this paper as [69]
The ions' lubricating properties originate from their ability to disrupt the ordered molecular arrangement of nano-confined water molecules, thereby inducing a greater fluidity of the liquid.
“This highlights the fact that the ions' lubricating properties originate from their ability to disrupt the ordered molecular arrangement of nano-confined water molecules, thereby inducing a greater fluidity of the liquid.50,69,[70][71][72]”
From Lubricating properties of single metal ions at interfaces (2018) · cites this paper as [69]

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Authors: Kim, J. S., & Yethiraj, A.
Affiliations: University of Wisconsin–Madison (US)
ORCID: Kim, Jun Soo
Yethiraj, Arun
Venue: The Journal of Physical Chemistry B
Publisher: American Chemical Society (ACS)
Published: 2008-01-24
Volume: 112
Issue: 6
Pages: 1729-1735
ISSN: 1520-5207 (ISSN-L)
1520-6106
DOI: 10.1021/jp076710+
OpenAlex: W2084520751
Cited by: 41
References: 47
Citations by year: 2026: 2 · 2025: 3 · 2024: 2 · 2023: 1 · 2022: 1 · 2021: 1 · 2020: 1 · 2019: 2 · 2018: 3 · 2017: 1 · 2016: 1 · 2015: 1 · 2014: 4 · 2012: 4
FWCI: 2.38
Type: journal article
Language: en
Open access: closed
Locations: The Journal of Physical Chemistry B (publishedVersion)
PubMed (publishedVersion)
Topics: Physical Sciences › Materials Science › Materials Chemistry › Material Dynamics and Properties
Physical Sciences › Chemistry › Spectroscopy › Diffusion Coefficients in Liquids
Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Spectroscopy and Quantum Chemical Studies
Keywords: water self-diffusion coefficient, NaCl solution, supercooled water, salt concentration dependence, freezing point depression, water residence time
MeSH terms: Chemistry, Physical, Diffusion, Freezing, Sodium Chloride, Solutions, Temperature, Water, Chemical Phenomena

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A Diffusive Anomaly of Water in Aqueous Sodium Chloride Solutions at Low Temperatures

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