Collection of Czechoslovak Chemical Communications - digital archive 

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 T_r = 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 ε_Kihara/ε_ncLJ and l_Kihara / l_ncLJ vary with the increasing values of l_ncLJ. 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 l_ncLJ values can be correlated.