An extension of the NpT plus test particle method for the determination of the vapour-liquid equilibria of pure fluids

An extended version of the NpT plus test particle method of Lotfi, Vrabec and Fischer is suggested for the determination of the vapour-liquid equilibria of pure fluids. It is based on the Taylor expansion of the function βμ with respect to both β and p. It enables the derivation of equilibrium data in a certain temperature range from a pair of raw simulations. The method was tested on the Lennard-Jones fluid using the Monte Carlo simulation method.