화학공학소재연구정보센터
Thermochimica Acta, Vol.297, No.1-2, 187-191, 1997
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 saturation conditions were calculated by the Gibbs ensemble Monte Carlo method. Values of the pure component Lennard-Jones (12, 6) pair-potential reported by van Leeuwen et al. [7] were employed to describe the intermolecular interactions. The total number of molecules adopted in all simulations was 300. Comparisons of the simulated data with the results predicted from the Peng-Robinson equation of state, utilizing the three binary interaction parameters reported in the literature, yield a fair agreement.