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.
|Titolo:||Liquid-vapor coexistence in square-well fluids: an RHNC study|
|Autori interni:||GIACOMETTI, Achille|
|Data di pubblicazione:||2009|
|Appare nelle tipologie:||2.1 Articolo su rivista |
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