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ID 57361
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Author
Yagasaki, Takuma Research Institute for Interdisciplinary Science, Okayama University ORCID Kakenhi
Matsumoto, Masakazu Research Institute for Interdisciplinary Science, Okayama University ORCID Kakenhi
Tanaka, Hideki Research Institute for Interdisciplinary Science, Okayama University ORCID Kakenhi
Abstract
In the liquid-liquid phase transition scenario, supercooled water separates into the high density liquid (HDL) and low density liquid (LDL) phases at temperatures lower than the second critical point. We investigate the effects of hydrophilic and hydrophobic solutes on the liquid-liquid phase transition using molecular dynamics simulations. It is found that a supercooled aqueous NaCl solution separates into solute-rich HDL and solute-poor LDL parts at low pressures. By contrast, a supercooled aqueous Ne solution separates into solute-rich LDL and solute-poor HDL parts at high pressures. Both the solutes increase the high temperature limit of the liquid-liquid separation. The degree of separation is quantified using the local density of solute particles to determine the liquid-liquid coexistence region in the pressure-temperature phase diagram. The effects of NaCl and Ne on the phase diagram of supercooled water are explained in terms of preferential solvation of ions in HDL and that of small hydrophobic particles in LDL, respectively.
Published Date
2019-06-06
Publication Title
Journal of Chemical Physics
Volume
volume150
Issue
issue21
Publisher
American Institute of Physics
Start Page
214506
ISSN
00219606
NCID
AA00694991
Content Type
Journal Article
language
英語
OAI-PMH Set
岡山大学
Copyright Holders
Copyright (2019) Author(s).
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DOI
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isVersionOf https://doi.org/10.1063/1.5096429
License
https://creativecommons.org/licenses/by/4.0/