Molecular Simulation of the Vapor-Liquid Coexistence Curve of Methanol

Several parameter sets have been presented in the literature for a three-site united-atom model for methanol.We compare the Gibbs ensemble Monte Carlo simulation results for the prediction of vapor-liquid equilibrium for the various sets.Furthermore, we present a new parameter set, which predicts phase coexistence properties of methanol with higher accuracy over a wide range of temperatures and densities.