Advances in the study of supercooled water

Abstract

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Using Car-Parrinello simulations and microscopic order descriptors to reveal two locally favored structures with distinct molecular dipole moments and dynamics in ambient liquid water

“…The complex behavior of water has motivated the scientific community to develop novel theories and methodologies to provide deeper insight into the molecular causes of its anomalies compared to most liquids [1][2][3][4][5][6][7][8][9][10][11] . A molecular understanding of the water properties is crucial in numerous processes in chemistry, physics, geosciences, biology, and life evolution 3,4,9,10,[12][13][14][15][16][17] .…”

The role of polymer structure on water confinement in poly(N-isopropylacrylamide) dispersions

“…Since the protein-like dynamical transition is often considered to be driven by the atomic dynamics of the solvent [68,69], independent and reliable information about the amorphous or crystalline state of hydration water is extremely valuable for a robust interpretation of neutron data. Moreover, the subject of avoided crystallization in confined water is per se a long standing problem in the physics of water itself [70,22].…”

Maximum in density of electrolyte solutions: Learning about ion–water interactions and testing the Madrid-2019 force field

“…For the last 40 years, the interest regarding the properties of supercooled water has increased significantly. 14,15 The behavior of supercooled liquid water at low temperatures is anomalous in a number of properties, one of which is its maximum in density (arguably a quite important one). The molecular origin of this maximum in water is connected to an increase of the tetrahedral ordering of the liquid molecules when cooled and to the open low density structure generated when this ordering takes place 16 (not surprisingly, ice with perfect tetrahedral order is less dense than liquid water).…”