MOLECULAR SIMULATIONS OF THERMODYNAMIC PROPERTIES FOR N-2-CO2-CH4 MIXTURES AT SATURATION CONDITIONS

Enthalpy of vaporization and coexistence densities for nitrogon-carbon dioxide-methane mixtures at low temperature and high pressure saturat ion conditions were calculated by the Gibbs ensemble Monte Carlo metho d. Values of the pure component Lennard-Jones (12, 6) pair-potential r eported by van Leeuwen et al. [7] were employed to describe the interm olecular interactions. The total number of molecules adopted in all si mulations was 300. Comparisons of the simulated data with the results predicted from the Peng-Robinson equation of state, utilizing the thre e binary interaction parameters reported in the literature, yield a fa ir agreement. (C) 1997 Elsevier Science B.V.