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Molecular Dynamics Simulation of Aqueous Sodium Chloride Solution at the NaCl(001) Interface with a Polarizable Water Model

โœ Scribed by Oyen, Enno; Hentschke, Reinhard


Book ID
111923822
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
145 KB
Volume
18
Category
Article
ISSN
0743-7463

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Charge separation at the ice/water inter
โœ Taras Bryk; A.D.J. Haymet ๐Ÿ“‚ Article ๐Ÿ“… 2004 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 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