ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The continuum theory of Hubbard–Onsager predicts for the friction coefficient Δζ (defined as a difference between friction coefficient and the slip Stokes friction coefficient) the following behavior: Δζ〉0 and ∂Δζ/∂T〈0. In case of the Li+ ion in water these predictions are confirmed by experiment. In contrast, experimental observations on Cs+ and Cl− ions in water show that at low temperatures Δζ〈0 and ∂Δζ/∂T〉0. To explain the observed behavior of Δζ(Cs+), the passage through cavities (PTC) mechanism was proposed by Nakahara et al. The molecular dynamics computer simulation technique was used to find out if the PTC mechanism is responsible for the nonclassical behavior of Δζ. No passage through cavities was observed in the computer simulations. Computer simulations were performed on the Li+ ion in water, the Cs+ ion in water, and the Cl− ion in water at temperatures T=268 K and T=298 K. Our results indicate that the observed behavior of Δζ for Li+, Cl−, and Cs+ ions is related to the difference in the reorientation times of water molecules in the ion solvation shell and in the bulk.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.454360
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