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/content/aip/journal/jcp/139/12/10.1063/1.4822006
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/content/aip/journal/jcp/139/12/10.1063/1.4822006
2013-09-24
2016-09-25

Abstract

It is shown that the behaviour of the hydration thermodynamic functions obtained in the 3D Mercedes-Benz model of water by Mohoric et al. [J. Chem. Phys.139, 024101 (Year: 2013)] is not qualitatively correct with respect to experimental data for a solute whose diameter is 1.5-fold larger than that of a water molecule. It is also pointed out that the failure is due to the fact that the used 3D Mercedes-Benz model of water[A. Bizjak, T. Urbic, V. Vlachy, and K. A. Dill, J. Chem. Phys.131, 194504 (Year: 2009)] does not reproduce in a quantitatively correct manner the peculiar temperature dependence of water density.

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