Second Virial Coefficient of the 2cLJ, 3cLJ and 4cLJ Molecules

Abstract

The second virial coefficient was evaluated for the two-centre, three-centre and four-centre Lennard Jones molecules with the site site distance l ∈ (0,1) at the reduced temperatures Tr = 0.6 - 3.0. The obtained data are correlated by an expression derived originally for the Kihara non-spherical molecules; the same value of the σ-parameter is considered for the both pair potentials whereas εKihara/εncLJ and lKihara / lncLJ vary with the increasing values of lncLJ. Values of the virial coefficient of the individual ncLJ molecules agree within error bars with experimental values in the whole temperature range studied; with only slightly higher deviations also data for the single 2cLJ, 3cLJ and 4cLJ molecules for all the lncLJ values can be correlated.