ACCURATE VAPOR-LIQUID-EQUILIBRIUM CALCULATIONS OF SIMPLE FLUIDS

Citation
F. Cuadros et al., ACCURATE VAPOR-LIQUID-EQUILIBRIUM CALCULATIONS OF SIMPLE FLUIDS, Phase transitions, 57(4), 1996, pp. 183-198
Citations number
23
Categorie Soggetti
Crystallography,"Physics, Condensed Matter
Journal title
ISSN journal
01411594
Volume
57
Issue
4
Year of publication
1996
Part
A
Pages
183 - 198
Database
ISI
SICI code
0141-1594(1996)57:4<183:AVCOSF>2.0.ZU;2-H
Abstract
From computer simulation data of 3D Lennard-Jones fluids, we present v ery simple analytical equations of pressure and chemical potential as functions of the temperature and density. By using the standard thermo dynamic procedure of a liquid-vapour equilibrium; i.e. pressure and ch emical potential in the gas phase to be equal to the corresponding val ues in the liquid phase at a given temperature, we have been able to d etermine the vapour-liquid coexistence curve. Despite the simplicity o f our method, we obtain more precise results than those published in t he literature because we use simultaneously both equalities: for press ures and for chemical potentials.