Ip. Omelyan et D. Ben-amotz, Self-consistent corrections to the equation of state and chemical potentials of hard chain fluid mixtures, J CHEM PHYS, 114(13), 2001, pp. 5735-5744
A general procedure is proposed for improving the self-consistency of binar
y mixed hard body fluid equations of state in both the small and large part
icle size ratio limits. The resulting equations correct both the total pres
sure and the solute chemical potential in a binary mixture with low solute
concentration. The results are applied to the Bonded Hard Sphere (BHS) and
Scaled Particle Theory (SPT) equations of state for mixtures of hard chains
, to produce new SC-BHS and SC-SPT expressions with improved self-consisten
cy. Comparison with computer simulation measurements of the chemical potent
ials of hard dumbbells in hard dumbbell fluids with solute-solvent sphere d
iameter ratios between 0 and 10 demonstrate the improved accuracy of the ne
w equations. The improvement is most marked for SC-SPT, as the original SPT
was nonself-consistent at both small and large solute sizes, while BHS was
already self-consistent at small, but not at large, solute sizes. (C) 2001
American Institute of Physics.