Freezing of confined water: A bilayer ice phase in hydrophobic nanopores

Koga Kenichiro, X. C. Zeng, Tanaka Hideki

Research output: Contribution to journalArticle

172 Citations (Scopus)

Abstract

Molecular dynamics simulations were performed to study the phase behavior of a thin film of water confined to a slit nanopore with smooth walls. A first-order water-to-ice freezing transition has been observed. The resulting ice, which is a crystal of bilayer consisting of rows of distorted hexagons, does not resemble any ice crystals found so far. The confined water contracts upon freezing when the confinement load is low (0.5 kbar) and expands when the load is high (10 kbar). The residual entropy of the bilayer ice can be calculated exactly, which is about half of the entropy of the bulk ice.

Original languageEnglish (US)
Pages (from-to)5262-5265
Number of pages4
JournalPhysical Review Letters
Volume79
Issue number26
DOIs
StatePublished - Jan 1 1997

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freezing
ice
water
entropy
hexagons
crystals
slits
molecular dynamics
thin films
simulation

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Freezing of confined water : A bilayer ice phase in hydrophobic nanopores. / Kenichiro, Koga; Zeng, X. C.; Hideki, Tanaka.

In: Physical Review Letters, Vol. 79, No. 26, 01.01.1997, p. 5262-5265.

Research output: Contribution to journalArticle

Kenichiro, Koga ; Zeng, X. C. ; Hideki, Tanaka. / Freezing of confined water : A bilayer ice phase in hydrophobic nanopores. In: Physical Review Letters. 1997 ; Vol. 79, No. 26. pp. 5262-5265.
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