Self-consistent corrections to the equation of state and chemical potentials of hard chain fluid mixtures

Citation
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
Citations number
31
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
114
Issue
13
Year of publication
2001
Pages
5735 - 5744
Database
ISI
SICI code
0021-9606(20010401)114:13<5735:SCTTEO>2.0.ZU;2-E
Abstract
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.