PERTURBATION THEORETICAL RESULTS OF THERMODYNAMIC AND DIELECTRIC STUDIES ON POLAR FLUIDS

Authors
LISZI J BODA D SZALAI I
Citation
J. Liszi et al., PERTURBATION THEORETICAL RESULTS OF THERMODYNAMIC AND DIELECTRIC STUDIES ON POLAR FLUIDS, ACH, models in chemistry, 132(1-2), 1995, pp. 31-43
Citations number
30
Categorie Soggetti
Chemistry
Journal title
ACH, models in chemistry → ACNP
ISSN journal
12178969
Volume
132
Issue
1-2
Year of publication
1995
Pages
31 - 43
Database
ISI
SICI code
1217-8969(1995)132:1-2<31:PTROTA>2.0.ZU;2-R
Abstract
Configurational internal energy, pressure and dielectric constant of d ipolar soft sphere fluids were studied based on the Gubbins-Pople-Stel l perturbation theory. Comparison of the results with those of Kusalik [Molec. Phys., 81, 199 (1994)] obtained with molecular dynamics simul ation showed reasonable agreement. Our perturbation theoretical calcul ation predicts the vapour-liquid phase-separation. The studied dielect ric constant shows realistic behaviour in the vicinity of the phase-tr ansition.