Thermal properties of the metastable supersaturated vapor of the Lennard-Jones fluid

J Chem Phys. 2005 Apr 8;122(14):144506. doi: 10.1063/1.1872774.

Abstract

p, rho, T data of the supersaturated vapor of the Lennard-Jones fluid are obtained by molecular dynamics simulations. The metastable state points are identified before a phase separation takes place. An estimation of the location of the spinodal is given. The results are compared to two theoretically based equations of state and one empirical equation of state which was parametrized also taking into account metastable state points. The pressure obtained by simulation is found to be lower than that from both theoretically based equations of state, which do not account for the inhomogeneous density distribution of the supersaturated vapor.