Bonded hard-sphere theory and computer simulation of the equation of state of linear fused-hard-sphere fluids

摘要

The bonded hard-sphere(BHS) theory is extended tofluids consisting of rigid,linear,homonuclear molecules,each of them fromed by n fused hard spheres.The theory shows excellent agreement with the Monte Carlo NpT simulation data which are also reporeted for reduced bond lengths l~*=0.5 and n=2,3,4,6,8,and 10.The accuracy of the BHS prediction in comparison to simulation i ssimilar to that of generalized Flory-dimer theory and superior to that of thermodynamic perturbation theory.