High-density liquid (HDL) adsorption at the supercooled water/vapor interface and its possible relation to the second surface tension inflection point

Abstract

We investigate the properties of water along the liquid/vapor coexistence line in the supercooled regime down to the no-man's land. Extensive molecular dynamics simulations of the TIP4P/2005 liquid/vapor interface in the range 198 -- 348 K allow us to locate the second surface tension inflection point with high accuracy at 283$\pm$5 K, close to the temperature of maximum density (TMD). This temperature also coincides with the appearance of a density anomaly at the interface known as the apophysis. We relate the emergence of the apophysis to the observation of HDL water adsorption in the proximity of the liquid/vapor interface.

References in corpus (5)

• Mixture-like behavior near a liquid-liquid phase transition in simulations of supercooled water
• Suppression of Sub-surface Freezing in Free-Standing Thin Films of a Coarse-grained Model of Water
• Manifestations of metastable criticality in the long-range structure of model water glasses
• Surface tension of supercooled water nanodroplets from computer simulations
• Minimum in the thermal conductivity of supercooled water: a computer simulation study

Cited by in corpus (3)

• Interfacial Properties of Fluids Exhibiting Liquid Polyamorphism and Water-Like Anomalies
• Predictions of the interfacial free energy along the coexistence line from single-state calculations
• Hydrogen Bond Topology Reveals Layering of LDL-like and HDL-like Water at its Liquid/Vapor Interface