AN EQUATION OF STATE FOR LENNARD-JONES PURE FLUIDS APPLICABLE OVER A VERY WIDE TEMPERATURE-RANGE

Monte Carlo simulations of the compressibility factor and internal energy of a Lennard-Jones fluid are reported for 112 state conditions over the density range 0.2 less-than-or-equal-to rho* less-than-or-equal-to 1.1 and the temperature range 0.45 less-than-than-or-equal-to T* less-than-or-equal-to 100 (where rho* = rhosigma3 and T* = kappaT/epsilon). These simulation results for the compressibility factors and internal energies are combined with those of previous workers to derive an equation of state for the Lennard-Jones fluid that is valid over a very wide range of temperatures. The equation of state used is a modified Benedict-Webb Rubin equation which is similar to that proposed by Nicolas et al. (Nicolas, J.J., Ef, K.EX., Streett, W.B. and Tildesley, D.J., 1979. Mol. Phys., 37: 1429 1454).