Ions at the ice/vapor interface

Marcelo Carignano, Paul B. Shepson, Igal Szleifer

Research output: Contribution to journalArticle

33 Citations (Scopus)

Abstract

We present Molecular Dynamics simulations of ice growth from a supercooled ionic water solution with explicit ice/vapor and water/vapor interfaces. Starting from a highly asymmetric initial state, the system evolves by freezing water on one side and melting ice on the other side to reach a final symmetric configuration after 30 ns. A strong tendency to the formation of cubic ice is observed. The ions are excluded from the ice and confined to the quasi-liquid layers on both interfaces. The mobility of the ions strongly depends on the thickness of the liquid layer. In a thick liquid layer the ions display free diffusion while in a thin quasi-liquid layer the ions move by an ice surface hopping mechanism.

Original languageEnglish
Pages (from-to)99-103
Number of pages5
JournalChemical Physics Letters
Volume436
Issue number1-3
DOIs
Publication statusPublished - 27 Feb 2007
Externally publishedYes

Fingerprint

Ice
Interfaces (computer)
ice
Vapors
Ions
vapors
ions
Liquids
liquids
Water
Steam
Freezing
freezing
water
water vapor
Molecular dynamics
tendencies
Melting
melting
molecular dynamics

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces
  • Condensed Matter Physics

Cite this

Ions at the ice/vapor interface. / Carignano, Marcelo; Shepson, Paul B.; Szleifer, Igal.

In: Chemical Physics Letters, Vol. 436, No. 1-3, 27.02.2007, p. 99-103.

Research output: Contribution to journalArticle

Carignano, Marcelo ; Shepson, Paul B. ; Szleifer, Igal. / Ions at the ice/vapor interface. In: Chemical Physics Letters. 2007 ; Vol. 436, No. 1-3. pp. 99-103.
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