Effect of confinement on the hydration and diffusion of chloride at high temperatures

•Effect of confinement on hydration of chloride in supercritical water is evaluated.•Diffusion coefficients and hydration numbers of chloride are affected.•Local water density is greatest on the surfaces. Molecular dynamics simulations were conducted of a chloride ion in high temperature water confi...

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Veröffentlicht in:	The Journal of supercritical fluids 2015-02, Vol.97, p.22-30
Hauptverfasser:	Kallikragas, Dimitrios T., Plugatyr, Andriy Yu, Guzonas, David A., Svishchev, Igor M.
Format:	Artikel
Sprache:	eng
Schlagworte:	Chloride Chlorides Confinement Density Diffusion coefficient Hydration Iron Radial distribution Simulation Supercritical water
Online-Zugang:	Volltext
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