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ID 57361
フルテキストURL
著者
Yagasaki, Takuma Research Institute for Interdisciplinary Science, Okayama University ORCID 科研費研究者番号
Matsumoto, Masakazu Research Institute for Interdisciplinary Science, Okayama University ORCID 科研費研究者番号
Tanaka, Hideki Research Institute for Interdisciplinary Science, Okayama University ORCID 科研費研究者番号
抄録
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.
発行日
2019-06-06
出版物タイトル
Journal of Chemical Physics
150巻
21号
出版者
American Institute of Physics
開始ページ
214506
ISSN
00219606
NCID
AA00694991
資料タイプ
学術雑誌論文
言語
English
OAI-PMH Set
岡山大学
著作権者
Copyright (2019) Author(s).
論文のバージョン
author
PubMed ID
DOI
関連URL
isVersionOf https://doi.org/10.1063/1.5096429
ライセンス
https://creativecommons.org/licenses/by/4.0/