An analytical equation of state for chain molecules formed from Yukawa segments

Citation
La. Davies et al., An analytical equation of state for chain molecules formed from Yukawa segments, J CHEM PHYS, 111(18), 1999, pp. 8659-8665
Citations number
59
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
111
Issue
18
Year of publication
1999
Pages
8659 - 8665
Database
ISI
SICI code
0021-9606(19991108)111:18<8659:AAEOSF>2.0.ZU;2-3
Abstract
We present an analysis of the thermodynamic properties of chain molecules f ormed from Yukawa segments using the statistical associating fluid theory w ith interactions of variable range (SAFT-VR) and the high-temperature expan sion of the mean-spherical solution (MSA-HTE) to the Ornstein-Zernike equat ion for a simple Yukawa fluid. The SAFT-VR expressions derived previously f or this system allow the MSA-HTE equation of state to be reformulated in te rms of first-order perturbation quantities, thus improving its accuracy. Fu rthermore, the MSA-HTE solution provides a full theoretical derivation of t he perturbation theory used in SAFT-VR, together with a completely analytic al equation of state for chain molecules composed of segments which interac t via the Yukawa potential. (C) 1999 American Institute of Physics. [S0021- 9606(99)50242-0].