Predictions for the properties of water below its homogeneous crystallization temperature revisited

Abstract

Properties of liquid water supercooled below its melting point have been thoroughly investigated. Experiments on bulk water become increasingly difficult as the temperature is lowered, and eventually impossible when the delay before ice nucleation becomes too short, around 230 K at ambient pressure. At low temperatures, amorphous ices and their glass transition may be studied only below the temperature of crystallization during heating, around 150 K. The temperature range from around 150 to 230 K at ambient pressure thus appears as a no man's land where the properties of bulk water are not accessible. Following Austen Angell's footsteps, I provide here physically acceptable predictions for thermodynamic properties (heat capacity, entropy) of liquid water down to its glass transition, and use the Adam-Gibbs approach to predict its dynamic properties (shear viscosity, self-diffusion coefficient, rotational correlation time). • The Adam-Gibbs relation between entropy and dynamic properties is applied to water. • The entropy of supercooled water is described with a modified two-state model. • We predict viscosity, diffusion, and rotational time down to the glass transition. • The results are consistent with a fragile-to-strong transition in supercooled water.