2007/12/07 by Paola Gallo, P. Gallo, M. Rovere · 1 citation
Materials Science · Physics and Astronomy · #Material Dynamics and Properties #Spectroscopy and Quantum Chemical Studies #Theoretical and Computational Physics #cond-mat.dis-nn #cond-mat.soft
paper · pdf · doi:10.1103/physreve.76.061202
published as Phys. Rev. E 76, 061202 (2007) · 7 pages, 12 figures
openalex publication_date 2007/12/07 · arxiv created 2008/04/18 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
We present the results of a computer simulation study of thermodynamical properties of TIP4P water confined in a hydrophobic disordered matrix of soft spheres upon supercooling. The hydrogen-bond network of water appears preserved in this hydrophobic confinement. Nonetheless a reduction in the average number of hydrogen bonds due to the geometrical constraints is observed. The liquid branch of the spinodal line is calculated from 350 K down to 210 K. The same thermodynamic scenario of the bulk is found: the spinodal curve is monotonically decreasing. The line of maximum density bends avoiding a crossing of the spinodal. There is, however, a shift both of the line of maximum density and of the spinodal toward higher pressures and lower temperatures with respect to bulk.