A Theoretical Study of the Interfacial Properties of Supercooled Water

Melissa R. Feeney; Pablo G. Debenedetti

doi:10.1021/ie030361y

A Theoretical Study of the Interfacial Properties of Supercooled Water

Melissa R. Feeney, Pablo G. Debenedetti

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14 Scopus citations

Abstract

We investigate theoretically the interfacial properties of supercooled water, both with respect to the vapor-liquid and, for the first time, for the hypothesized low-temperature liquid-liquid transition. We use the van der Waals theory of interfaces, together with two closely related microscopic models of waterlike associating fluids. We find that the predicted interfacial tension associated with the vapor-liquid transition is 2 orders of magnitude larger than the corresponding liquid-liquid transition, and we explain this result largely in terms of the very different ranges of densities spanned by each transition. Anomalous behavior in the temperature dependence of the vapor-liquid interfacial tension is predicted in all cases. We obtain good agreement with experimental values for the thickness and tension of the vapor-liquid interface.

Original language	English (US)
Pages (from-to)	6396-6405
Number of pages	10
Journal	Industrial and Engineering Chemistry Research
Volume	42
Issue number	25
DOIs	https://doi.org/10.1021/ie030361y
State	Published - Dec 10 2003

All Science Journal Classification (ASJC) codes

General Chemistry
General Chemical Engineering
Industrial and Manufacturing Engineering

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10.1021/ie030361y

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abstract = "We investigate theoretically the interfacial properties of supercooled water, both with respect to the vapor-liquid and, for the first time, for the hypothesized low-temperature liquid-liquid transition. We use the van der Waals theory of interfaces, together with two closely related microscopic models of waterlike associating fluids. We find that the predicted interfacial tension associated with the vapor-liquid transition is 2 orders of magnitude larger than the corresponding liquid-liquid transition, and we explain this result largely in terms of the very different ranges of densities spanned by each transition. Anomalous behavior in the temperature dependence of the vapor-liquid interfacial tension is predicted in all cases. We obtain good agreement with experimental values for the thickness and tension of the vapor-liquid interface.",

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AU - Debenedetti, Pablo G.

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AB - We investigate theoretically the interfacial properties of supercooled water, both with respect to the vapor-liquid and, for the first time, for the hypothesized low-temperature liquid-liquid transition. We use the van der Waals theory of interfaces, together with two closely related microscopic models of waterlike associating fluids. We find that the predicted interfacial tension associated with the vapor-liquid transition is 2 orders of magnitude larger than the corresponding liquid-liquid transition, and we explain this result largely in terms of the very different ranges of densities spanned by each transition. Anomalous behavior in the temperature dependence of the vapor-liquid interfacial tension is predicted in all cases. We obtain good agreement with experimental values for the thickness and tension of the vapor-liquid interface.

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A Theoretical Study of the Interfacial Properties of Supercooled Water

Abstract

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