Structural properties and liquid spinodal of water confined in a hydrophobic environment

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dc.creatorGallo, P.
dc.creatorRovere, M.
dc.date2008-04-18
dc.date.accessioned2026-07-07T09:33:26Z
dc.date.available2026-07-07T09:33:26Z
dc.descriptionWe 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.
dc.description7 pages, 12 figures
dc.identifierhttps://arxiv.org/abs/0804.2964
dc.identifierhttp://arxiv.org/abs/0804.2964
dc.identifierPhys. Rev. E 76, 061202 (2007)
dc.identifierdoi:10.1103/PhysRevE.76.061202
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/159133
dc.subjectSoft Condensed Matter
dc.subjectDisordered Systems and Neural Networks
dc.titleStructural properties and liquid spinodal of water confined in a hydrophobic environment
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