I. Szalai et al., THE NVT PLUS TEST PARTICLE METHOD FOR THE DETERMINATION OF THE VAPOR-LIQUID-EQUILIBRIA OF PURE FLUIDS, Chemical physics letters, 246(3), 1995, pp. 214-220
A new, NVT plus test particle, method is suggested for the determinati
on of the vapour-liquid equilibria of pure fluids. It is an adaptation
of our extended NpT plus test particle method to the canonical ensemb
le. It is based on Taylor expansions of the beta mu and p functions wi
th respect to both rho and beta. The algorithm enables the derivation
of the equilibrium data in a certain temperature range from a pair of
NVT raw simulations. The method was tested at a few points of state on
a Lennard-Jones fluid.