It is pointed out that the unexpected result that the magnitude of the reversible work of cavity creation in ethylene glycol proves to be larger than that in water [I. Sedov and T. Magsumov, J. Chem. Phys. 153, 134501 (2020)] could be due to that (a) the density of the used computational model of this liquid is "significantly"larger than the experimental one and (b) the procedure adopted to perform the comparison among the different liquids is not "strictly"correct. It is also indicated that several lines of evidence suggest that the magnitude of the reversible work of cavity creation in water can be larger than that in ethylene glycol.
Comment on "the Gibbs free energy of cavity formation in a diverse set of solvents"[J. Chem. Phys. 153, 134501 (2020)]
Graziano G.
2021-01-01
Abstract
It is pointed out that the unexpected result that the magnitude of the reversible work of cavity creation in ethylene glycol proves to be larger than that in water [I. Sedov and T. Magsumov, J. Chem. Phys. 153, 134501 (2020)] could be due to that (a) the density of the used computational model of this liquid is "significantly"larger than the experimental one and (b) the procedure adopted to perform the comparison among the different liquids is not "strictly"correct. It is also indicated that several lines of evidence suggest that the magnitude of the reversible work of cavity creation in water can be larger than that in ethylene glycol.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
