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Large Decrease of Fluctuations for Supercooled Water in Hydrophobic Nanoconfinement
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Using Monte Carlo simulations, we study 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 , we find a first-order liquid-liquid phase transition (LLPT) ending in one critical point at low pressure P . For c > 0 , our simulations are consistent with a LLPT line ending in two critical points at low and high P . For c = 25 % , at high P and low temperature, we find a dramatic decrease of compressibility, thermal expansion coefficient, and specific heat. Surprisingly, the effect is present also for c as low as 2.4%. We conclude that even a small presence of hydrophobic nanoparticles can drastically suppress thermodynamic fluctuations, making the detection of the LLPT more difficult.
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STREKALOVA, Elena g., MAZZA, Marco g., STANLEY, H. eugene (harry eugene), FRANZESE, Giancarlo. Large Decrease of Fluctuations for Supercooled Water in Hydrophobic Nanoconfinement. _Physical Review Letters_. 2011. Vol. 106, núm. 14, pàgs. 145701. [consulta: 15 de gener de 2026]. ISSN: 0031-9007. [Disponible a: https://hdl.handle.net/2445/138021]