Large decrease of fluctuations for supercooled water in hydrophobic nanoconfinement

Phys Rev Lett. 2011 Apr 8;106(14):145701. doi: 10.1103/PhysRevLett.106.145701. Epub 2011 Apr 7.

Abstract

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.

Publication types

  • Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

  • Cold Temperature*
  • Hydrophobic and Hydrophilic Interactions*
  • Nanostructures / chemistry*
  • Phase Transition*
  • Water / chemistry*

Substances

  • Water