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Journal Article

Large decrease of fluctuations for supercooled water in hydrophobic nanoconfinement


Mazza,  Marco G.
Group Non-equilibrium soft matter, Department of Dynamics of Complex Fluids, Max Planck Institute for Dynamics and Self-Organization, Max Planck Society;

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Strekalova, E. G., Mazza, M. G., Stanley, H. E., & Franzese, G. (2011). Large decrease of fluctuations for supercooled water in hydrophobic nanoconfinement. Physical Review Letters, 106(14): 145701. doi:10.1103/PhysRevLett.106.145701.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0029-B438-B
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.