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 language | English (US) |
---|---|
Pages (from-to) | 99-103 |
Number of pages | 5 |
Journal | Chemical Physics Letters |
Volume | 436 |
Issue number | 1-3 |
DOIs | |
State | Published - Feb 27 2007 |
ASJC Scopus subject areas
- General Physics and Astronomy
- Physical and Theoretical Chemistry