Fig 7 - uploaded by Zhe Wang
Content may be subject to copyright.
![? The density measurement on the confined D2O made by Zhang et al. (1 bar to 2.9 kbar) [27] and Wang et al. (3.3 kbar and 4 kbar) [28]. (a) The density profiles of confined D2O with warming and cooling scans at different pressures. The data are shifted by 0.05 g/cm 3 between adjacent pressures for clarity. (b) The density differences between the cooling and warming scans at different pressures. The data are shifted by 0.03 g/cm 3 between adjacent pressures for clarity. Adapted from [30].](profile/Zhe-Wang-102/publication/309735506/figure/fig4/AS:425848860876803@1478541688157/The-density-measurement-on-the-confined-D2O-made-by-Zhang-et-al-1-bar-to-29-kbar.png)
? The density measurement on the confined D2O made by Zhang et al. (1 bar to 2.9 kbar) [27] and Wang et al. (3.3 kbar and 4 kbar) [28]. (a) The density profiles of confined D2O with warming and cooling scans at different pressures. The data are shifted by 0.05 g/cm 3 between adjacent pressures for clarity. (b) The density differences between the cooling and warming scans at different pressures. The data are shifted by 0.03 g/cm 3 between adjacent pressures for clarity. Adapted from [30].
Source publication
In this paper we present a review on our recent experimental investigations into the phase behavior of the deeply cooled water confined in a nanoporous silica material, MCM-41, with elastic neutron scattering technique. Under such strong confinement, the homogeneous nucleation process of water is avoided, which allows the confined water to keep its...
Citations
Water modeling is a challenging problem. Its anomalies are difficult to reproduce, promoting the proliferation of a large number of computational models, among which researchers select the most appropriate for the property they study. In this chapter, we introduce a coarse-grained model introduced by Franzese and Stanley (FS) that accounts for the many-body interactions of water. We review mean-field calculations and Monte Carlo simulations on water monolayers for a wide range of pressures and temperatures, including extreme conditions. The results show the presence of two dynamic crossovers and explain the origin of diffusion anomalies. Moreover, the model shows that all the different scenarios, proposed in the last decades as alternative explanations of the experimental anomalies of water, can be related by the fine-tuning of the many-body (cooperative) interaction. Once this parameter is set from the experiments, the FS model predicts a phase transition between two liquids with different densities and energies in the supercooled water region, ending in a liquid-liquid critical point. From this critical point stems a liquid-liquid Widom line, i.e., the locus of maxima of the water correlation length, that in the FS model can be directly calculated. The results are consistent with the extrapolations from experiments. Furthermore, they agree with those from atomistic models but make predictions over a much wider thermodynamic region, allowing for a better interpretation of the available experimental data. All these findings provide a coherent picture of the properties of water and confirm the validity of the FS model that has proved to be useful for large-scale simulations of biological systems.
