Confinement of Anomalous Liquids in Nanoporous Matrices

Abstract

Using molecular dynamics simulations, we investigate the effects of different nanoconfinements on complex liquids-e.g., colloids or protein solutions-with density anomalies and a liquid-liquid phase transition (LLPT). In all the confinements, we find a strong depletion effect with a large increase in liquid density near the confining surface. If the nano confinement is modeled by an ordered matrix of nanoparticles (NPs), we find that the anomalies are preserved. On the contrary, if the confinement is modeled by a disordered matrix of NPs, we find a drastically different phase diagram: the LLPT shifts to lower pressures and temperatures, and the anomalies become weaker, as the disorder increases. We find that the density heterogeneities induced by the disordered matrix are responsible for the weakening of the LLPT and the disappearance of the anomalies.