화학공학소재연구정보센터
Journal of Chemical Physics, Vol.116, No.19, 8517-8522, 2002
Integral equation theory of Lennard-Jones fluids: A modified Verlet bridge function approach
An integral equation theory for the Lennard-Jones fluid is investigated using a proposed new closure based on a modification of the Verlet-modified bridge function, which has been known to be very successful for hard body fluids. The structural and thermodynamic properties of the Lennard-Jones fluid calculated from this integral equation theory over a wide range of temperature and density show very good agreement with those obtained from simulation or from equation of state derived from simulation data. The gas-liquid phase diagram predicted by the present integral equation theory is shown to agree quite well with the corresponding simulation results.