2009 journal article
Liquid-vapor coexistence in square-well fluids: an RHNC study
MOLECULAR PHYSICS, 107(4-6), 555–562.
author keywords: theory of liquids; phase diagrams; liquid-vapor coexistence; integral equations; square-well fluid
UN Sustainable Development Goal Categories
13. Climate Action
(Web of Science)
Source: Web Of Science
Added: August 6, 2018
We investigate the ability of the reference hypernetted-chain integral equation to describe the phase diagram of square-well fluids with four different ranges of attraction. Comparison of our results with simulation data shows that the theory is able to reproduce with fairly good accuracy a significant part of the coexistence curve, provided an extrapolation procedure is used to circumvent the well-known pathologies of the pseudo-spinodal line, which are more severe at reduced width of the attractive well. The method provides a useful approach for a quick assessment of the location of the liquid–vapor coexistence curve in this kind of fluid and serves as a check for the more complex problem of anisotropic ‘patchy’ square-well molecules.