B. Martinez-haya et al., Gibbs ensemble simulation of the vapour-liquid equilibrium of square well spherocylinders, MOLEC PHYS, 99(6), 2001, pp. 509-516
Gibbs ensemble Monte Carlo simulations have been performed for systems of s
quare-well spherocylinders of different length-to-breadth ratio. The result
s are used to test a recent perturbation theory proposed for this kind of s
ystem. In addition, the results are compared to similar simulations perform
ed for a Kihara fluid of elongated molecules. An unexpected good agreement
is found for the coexistence thermodynamic and structural properties of bot
h model fluids, hence suggesting that the hard spherocylinder plus square-w
ell interaction should be considered as a reference potential for a perturb
ative treatment of more complex fluid models.