# [079] Phase behavior of a confined nanodroplet in the grand-canonical ensemble: the reverse liquid–vapor transition

James F Lutsko, Julien Laidet, and Patrick Grosfils, "Phase behavior of a confined nanodroplet in the grand-canonical ensemble: the reverse liquid–vapor transition", *J. Phys.: Cond. Matt.*, **22**, 65101 (2010) __http://jimlutsko.github.io/files/Lutsko_Laidet_Grosfils_JCondMatt_2009.pdf__

## Abstract

The equilibrium density distribution and thermodynamic properties of a Lennard-Jones fluid confined to nanosized spherical cavities at a constant chemical potential was determined using Monte Carlo simulations. The results describe both a single cavity with semi-permeable walls as well as a collection of closed cavities formed at the constant chemical potential. The results are compared to calculations using classical density functional theory (DFT). It is found that the DFT calculations give a quantitatively accurate description of the pressure and structure of the fluid. Both theory and simulation show the presence of a 'reverse' liquid–vapor transition whereby the equilibrium state is a liquid at large volumes but becomes a vapor at small volumes.