Deviation from corresponding states for a fluid of square well spherocylinders

Citation
Dc. Williamson et Y. Guevara, Deviation from corresponding states for a fluid of square well spherocylinders, J PHYS CH B, 103(35), 1999, pp. 7522-7530
Citations number
23
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY B
ISSN journal
15206106 → ACNP
Volume
103
Issue
35
Year of publication
1999
Pages
7522 - 7530
Database
ISI
SICI code
1520-6106(19990902)103:35<7522:DFCSFA>2.0.ZU;2-0
Abstract
The nonconformal behavior of a fluid of hard spherocylinders with a spheroc ylindrical square well attraction is examined using a simple perturbation t heory in which the thermodynamics of the anisotropic fluid is mapped to tha t of an equivalent spherical system. This theory was shown to give a good d escription of the thermodynamic properties of the isotropic phase of a flui d of hard core aspect ratio 5:1 and square well range lambda = 1.5. To date no simulation data exists for the vapor-liquid region of this model; howev er, the theoretical predictions are compared with Gibbs ensemble Monte Carl o simulation data for the linear Kihara potentials. A strong similarity is observed. in the phase behavior of both fluids. The square well system has the advantage that there is a good theoretical equation of state in which t he range parameter can be varied without extra computational difficulty. Fi nally, despite the simplicity of the square well model, we demonstrate that this model can be used to describe the vapor-liquid coexistence of the alk ane chain series from ethane to octane.