BINARY HARD CHAIN MIXTURES .1. GENERALIZED FLORY EQUATIONS OF STATE

Citation
Jm. Wichert et al., BINARY HARD CHAIN MIXTURES .1. GENERALIZED FLORY EQUATIONS OF STATE, The Journal of chemical physics, 105(17), 1996, pp. 7669-7682
Citations number
30
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
105
Issue
17
Year of publication
1996
Pages
7669 - 7682
Database
ISI
SICI code
0021-9606(1996)105:17<7669:BHCM.G>2.0.ZU;2-W
Abstract
In this series of two papers we study the thermodynamics of binary har d chain mixtures. Here, a generalized Flory-dimer (GF-D) equation of s tate is derived for binary hard chain mixtures composed of chains of v ariable length and segment diameter. Compressibility factors predicted by the GF-D equation of state developed here and by the previously de rived generalized Flory equation of state are compared to previous Mon te Carlo results for hard monomer/hard chain mixtures, and to new mole cular dynamics (MD) hard monomer/hard chain and hard chain/hard chain mixture simulation results. Compared to the MD simulations, the GF-D t heory is found to be quite accurate, with an average error of about 3% at liquid-like densities. (C) 1996 American Institute of Physics.