Vapour-liquid equilibria for quadrupolar Lennard-Jones fluids

Abstract

Monte Carlo calculations in the Gibbs ensemble are reported for pure quadrupolar Lennard-Jones fluids. The vapour-liquid equilibrium curves, critical temperatures, and critical densities are calculated for various quadrupolar strengths (Q*2=Q2/ epsilon sigma 5=1.0, 1.5, 2.0 and 2.5). It is shown that as the quadrupolar strength increases both the critical temperature and the critical density increase. Comparison of the results of Q*2=2.0 with data from the available literature shows good agreement.