Molecular simulation study of the heat capacity of metastable water between 100K and 300K

TL;DR

This study uses molecular simulations to investigate the unusual temperature-dependent heat capacity of metastable water adsorbed on surfaces, providing insights into its thermodynamic behavior at low temperatures.

Contribution

It introduces a simulation approach to model the heat capacity of metastable water on surfaces, capturing its non-monotonous variation between 100K and 300K.

Findings

Heat capacity shows non-monotonous variation with temperature.

Simulations align with experimental measurements on nanoporous silica.

Provides insights into thermodynamic properties of metastable water.

Abstract

Molecular simulation study of the heat capacity of metastable water between 100K and 300K Molecular simulations have been used to study the heat capacity of metastable liquid water at low temperature adsorbed on a smooth surface. These calculations aim at modelling water properties measured by experiments performed on water films adsorbed on Vycor nanoporous silica at low temperature. In particular, the study focuses on the non-monotonous variation of the heat capacity around between 100 and 300 K.