Uk. Deiters et Sl. Randzio, THE EQUATION OF STATE FOR MOLECULES WITH SHIFTED LENNARD-JONES PAIR POTENTIALS, Fluid phase equilibria, 103(2), 1995, pp. 199-212
Compressibility factors and internal energies have been calculated for
fluids with softly repulsive pair potentials by means of the Maxwell
distribution method. The pair potentials used are Lennard-Jones potent
ials, truncated at the minimum and with the minimum shifted towards ze
ro energy. The exponent of attraction has been varied between 4 and 8,
the exponent of repulsion between 8 and 40. An empirical equation of
state has been developed which permits the calculation of thermodynami
c properties for all truncated Lennard-Jones potentials. When this equ
ation of state is substituted for the hard-sphere term in simple equat
ions of state of the var der Waals type, a better representation of ca
loric data is obtained, especially over the high density region.