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Khasare’s equation of state for Hard-Sphere and Lennard-Jones pure fluids, using Computer Algebra

S. B. Khasare, Vrushali S. Khasare, Shashank S.Khasare

Present work uses the concept of scaled particle along with perturbation and a variation approach, to develop an equation of state EOS, for a mixture of hard sphere HS, Lenard-Jones LJ fluids. A suitable flexible functional form for radial distribution function G(r) is assumed for the pure, with cavity radius parameter r as a variable. The function G(r) has an arbitrary parameter m and the self-consistent parameter kc. Different EOS can be obtained with a suitable choice of m. For [m = 0.75, kc =0] and [m = 0.80, kc =0.058] results are close to molecular dynamics MD for pure HS and LJ fluid respectively.