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| Content Provider | World Health Organization (WHO)-Global Index Medicus |
|---|---|
| Author | Mazza, M. G. Stanley, H. E. Franzese, G. Strekalova, E. G. |
| Description | Country affiliation: United States Author Affiliation: Strekalova EG ( Center for Polymer Studies and Department of Physics, Boston University, Boston, MA 02215, USA. elena@buphy.bu.edu) |
| Abstract | We perform very efficient Monte Carlo simulations to study the phase diagram of a water monolayer confined in a fixed disordered matrix of hydrophobic nanoparticles between two hydrophobic plates. We consider different hydrophobic nanoparticle concentrations c. We adopt a coarse-grained model of water that, for c = 0, displays a first-order liquid-liquid phase transition (LLPT) line with negative slope in the pressure-temperature (P-T) plane, ending in a liquid-liquid critical point at about 174 K and 0.13 GPa. We show that upon increase of c the liquid-gas spinodal and the temperature of the maximum density line are shifted with respect to the c = 0 case. We also find dramatic changes in the region around the LLPT. In particular, we observe a substantial (more than 90%) decrease of isothermal compressibility, thermal expansion coefficient and constant-pressure specific heat upon increasing c, consistent with recent experiments. Moreover, we find that a hydrophobic nanoparticle concentration as small as c = 2.4% is enough to destroy the LLPT for P ≥ 0.16 GPa. The fluctuations of volume apparently diverge at P ≈ 0.16 GPa, suggesting that the LLPT line ends in an LL critical point at 0.16 GPa. Therefore, nanoconfinement reduces the range of P-T where the LLPT is observable. By increasing the hydrophobic nanoparticle concentration c, the LLPT becomes weaker and its P-T range smaller. The model allows us to explain these phenomena in terms of a proliferation of interfaces among domains with different local order, promoted by the hydrophobic effect of the water-hydrophobic-nanoparticle interfaces. |
| ISSN | 09538984 |
| e-ISSN | 1361648X |
| Journal | Journal of Physics: Condensed Matter |
| Issue Number | 6 |
| Volume Number | 24 |
| Language | English |
| Publisher | IOP Publishing |
| Publisher Date | 2012-02-15 |
| Publisher Place | Great Britain (UK) |
| Access Restriction | Open |
| Subject Keyword | Discipline Condensed Matter Physics |
| Content Type | Text |
| Resource Type | Article |
| Subject | Condensed Matter Physics Materials Science |
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