Predicting Glass-to-Glass and Liquid-to-Liquid Phase Transitions in Water

TL;DR

This paper models and predicts phase transitions in water, including glass-to-glass and liquid-to-liquid transitions, based on thermodynamic principles and nucleation theory, aligning well with experimental data.

Contribution

It introduces a thermodynamic model incorporating enthalpy differences and pressure effects to predict phase transitions in water, extending understanding of amorphous and confined water behaviors.

Findings

Predicted multiple glass transition temperatures in water.

Calculated enthalpy changes consistent with measurements.

Estimated maximum density temperature under negative pressure.

Abstract

Glass-to-glass and liquid-to-liquid phase transitions were observed many years ago in bulk and confined water with or without applied pressure. It is shown that they result from the competition of two-liquid phases separated by an enthalpy difference depending on temperature. The model is based on the classical nucleation equation of these phases completed by this enthalpy saving existing at all temperatures and a pressure contribution. The thermodynamic parameters of amorphous water, the multiple glass transition temperatures, the enthalpy changes, and the temperature of maximum density under negative pressure above Tg =227.5K are predicted to be in agreement with many measurements