Microscopic origin of the deviation from Stokes-Einstein behavior observed in dynamics of the KSCN aqueous solutions: a MD simulation study.

Abstract

Molecular dynamics simulations were carried out to investigate the microscopic origin of the deviation from Stokes-Einstein behavior observed in the dynamics of KSCN aqueous solutions. When the solution becomes more concentrated, the rotational mobilities of SCN(-) and water bifurcate significantly as also observed in the experimental ultrafast infrared… (More)
DOI: 10.1021/jp400441e

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