Metastable Water Under Pressure

Abstract

for bulk, confined and interfacial water. By analyzing a cell model within a mean field approximation and with Monte Carlo simulations, we have showed that all the scenarios proposed for water's P-T phase diagram may be viewed as special cases of a more general scheme. In particular, our study shows that it is the relationship between H bond strength and H bond cooperativity that governs which scenario is valid. The investigation of the properties of metastable liquid water under pressure could provide essential information that could allow us to understanding could, ultimately, lead us to the explanation of the reasons why water is such an essential liquid for life.

Information geometry, phase transitions, and the Widom line: Magnetic and liquid systems

“…This is to be contrasted with liquid-gas systems where the prediction of isobaric or isothermal Widom lines are unique [9]. Our results bear resemblance to multiple lines of dynamic crossover in supercooled water [23][24][25] which have been experimentally observed, and this issue would be interesting for a future study.…”

“…Since the Widom line is defined as the locus of maxima of the correlation length, we see that in this idealized model, there are two Widom lines that originate from the critical point. This is an interesting feature which should be compared with recent findings in the context of realistic models of supercooled water [23][24][25], where the authors discovered two loci of maxima of the specific heat, conforming to experimental results [26]. The two maxima were attributed there to fluctuations in the hydrogen bond formation and to reordering of the hydrogen bond network in supercooled water.…”

“…Although in an idealized mean-field model like ours, it is difficult to interpret the results in terms of microscopic properties, as done in Ref. [23][24][25], it will be interesting to study this issue further.…”

Understanding Diffusion and Density Anomaly in a Coarse-Grained Model for Water Confined between Hydrophobic Walls

“…MC and mean-field results for this model at full occupancy 15,61,62,[85][86][87][88][89][90][91][92] were reported in previous works. 16,20,21,56,60,68,[93][94][95] An analysis of the differences between partial and full occupancy will be presented elsewhere.…”

“…96 By annealing the system from high temperatures, we find a discontinuous change in density previous findings for this model. 15,16,20,21,56,[60][61][62]68,[85][86][87][88][89][90][91][92][93][94][95] Here we add the information about the diffusion constant. In the liquid phase for T > 832 K, D decreases monotonically for increasing P, but has an anomalous non-monotonic behavior at lower T ([figure] [3][]3).…”