D. Boda et al., AN EXTENSION OF THE NPT PLUS TEST PARTICLE METHOD FOR THE DETERMINATION OF THE VAPOR-LIQUID-EQUILIBRIA OF PURE FLUIDS, Chemical physics letters, 235(1-2), 1995, pp. 140-145
An extended version of the NpT plus test particle method of Lotfi, Vra
bec and Fischer is suggested for the determination of the vapour-liqui
d equilibria of pure fluids. It is based on the Taylor expansion of th
e function beta mu with respect to both beta and p. It enables the der
ivation 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.