Large decrease of fluctuations for supercooled water in hydrophobic nanoconfinement

Details Large decrease of fluctuations for supercooled water in hydrophobic nanoconfinement Large decrease of fluctuations for supercooled water in hydrophobic nanoconfinement

2010-10-04

arxiv.org/abs/1010.0693v2

Physics

Condensed Matter

Statistical Mechanics

11 pages with 4 figures

Scientific paper

We study by Monte Carlo simulations a coarse-grained model of a water layer confined in a fixed disordered matrix of hydrophobic nanoparticles at different particle concentrations c. For c=0 (bulk water) we find a first order liquid-liquid phase transition (LLPT). For c>0 our simulations are consistent with a LLPT line ending in two critical points at low and high pressure P. For c=25% we find a dramatic decrease of compressibility K_T, thermal expansion coefficient \alpha_P, specific heat C_P at high P and low temperature T. Surprisingly, the effect is present also for c as low as 2.4%. We conclude that the higher the confinement, the lower the thermodynamic fluctuations and the more difficult it will be to detect the LLPT.

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