Effects of confinement on the phase behavior of supercooled water

Kenichiro Koga; X. C. Zeng; Hideki Tanaka

doi:10.1016/S0009-2614(98)00035-9

Effects of confinement on the phase behavior of supercooled water

Kenichiro Koga, X. C. Zeng, Hideki Tanaka

Chemistry

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32 Scopus citations

Abstract

Molecular dynamics simulations are performed to investigate phase behavior of a thin film (thickness d~2 nm) of supercooled water confined between two parallel planar walls. In contrast to bulk supercooled water, the confined water, under fixed normal pressures of 0.1 MPa and 500 MPa, does not exhibit the high density amorphous (HDA) to low density amorphous (LDA) liquid-liquid phase transition in the course of the cooling process. A possible explanation is that when the water is confined between two walls, the bulk HDA-LDA phase boundary and the associated critical point C^′ shift to lower temperature or/and lower P_zz (confinement pressure) as decreasing the film thickness.

Original language	English (US)
Pages (from-to)	278-283
Number of pages	6
Journal	Chemical Physics Letters
Volume	285
Issue number	3-4
DOIs	https://doi.org/10.1016/S0009-2614(98)00035-9
State	Published - Mar 20 1998

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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title = "Effects of confinement on the phase behavior of supercooled water",

abstract = "Molecular dynamics simulations are performed to investigate phase behavior of a thin film (thickness d~2 nm) of supercooled water confined between two parallel planar walls. In contrast to bulk supercooled water, the confined water, under fixed normal pressures of 0.1 MPa and 500 MPa, does not exhibit the high density amorphous (HDA) to low density amorphous (LDA) liquid-liquid phase transition in the course of the cooling process. A possible explanation is that when the water is confined between two walls, the bulk HDA-LDA phase boundary and the associated critical point C′ shift to lower temperature or/and lower Pzz (confinement pressure) as decreasing the film thickness.",

author = "Kenichiro Koga and Zeng, {X. C.} and Hideki Tanaka",

note = "Funding Information: We thank Dr. O. Mishima for helpful discussion. XCZ thanks NSF and ONR for support of this work. HT is grateful to the Japan Ministry of Education and the computer center of IMS.",

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T1 - Effects of confinement on the phase behavior of supercooled water

AU - Koga, Kenichiro

AU - Zeng, X. C.

AU - Tanaka, Hideki

N1 - Funding Information: We thank Dr. O. Mishima for helpful discussion. XCZ thanks NSF and ONR for support of this work. HT is grateful to the Japan Ministry of Education and the computer center of IMS.

PY - 1998/3/20

Y1 - 1998/3/20

N2 - Molecular dynamics simulations are performed to investigate phase behavior of a thin film (thickness d~2 nm) of supercooled water confined between two parallel planar walls. In contrast to bulk supercooled water, the confined water, under fixed normal pressures of 0.1 MPa and 500 MPa, does not exhibit the high density amorphous (HDA) to low density amorphous (LDA) liquid-liquid phase transition in the course of the cooling process. A possible explanation is that when the water is confined between two walls, the bulk HDA-LDA phase boundary and the associated critical point C′ shift to lower temperature or/and lower Pzz (confinement pressure) as decreasing the film thickness.

AB - Molecular dynamics simulations are performed to investigate phase behavior of a thin film (thickness d~2 nm) of supercooled water confined between two parallel planar walls. In contrast to bulk supercooled water, the confined water, under fixed normal pressures of 0.1 MPa and 500 MPa, does not exhibit the high density amorphous (HDA) to low density amorphous (LDA) liquid-liquid phase transition in the course of the cooling process. A possible explanation is that when the water is confined between two walls, the bulk HDA-LDA phase boundary and the associated critical point C′ shift to lower temperature or/and lower Pzz (confinement pressure) as decreasing the film thickness.

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Effects of confinement on the phase behavior of supercooled water

Abstract

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