Ions at the ice/vapor interface

Marcelo A. Carignano*, Paul B. Shepson, Igal Szleifer

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

35 Scopus citations


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 (US)
Pages (from-to)99-103
Number of pages5
JournalChemical Physics Letters
Issue number1-3
StatePublished - Feb 27 2007

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry


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