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Ice 1h/water interface of the SPC/E model: Molecular dynamics simulations of the equilibrium basal and prism interfaces

✍ Scribed by Bryk, Taras; Haymet, A. D. J.

Book ID
120641072
Publisher
American Institute of Physics
Year
2002
Tongue
English
Weight
613 KB
Volume
117
Category
Article
ISSN
0021-9606

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Charge separation at the ice/water inter
Charge separation at the ice/water interface: a molecular dynamics simulation study of solute ions at the ice basal plane
✍ Taras Bryk; A.D.J. Haymet πŸ“‚ Article πŸ“… 2004 πŸ› Elsevier Science 🌐 English βš– 118 KB

The behavior of Na and Cl ions over a total time of 1.5 ns ice basal planeyvacuum interface is simulated with the SPCyE q y model of water molecules at a temperature close to the coexistence point. It is found that the Na ion stays for almost the whole q simulation time in the top broad ice surface