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HMSA integral equation theory for the square-well fluid 

Authors: J. Bergenholtz a;  P. Wu a;  N. J. Wagner a; B. D'Aguanno b
Affiliations:   a Colburn Laboratory, Department of Chemical Engineering, University of Delaware, Newark, Delaware, USA
b CRS4, Centro Di Ricerca, Sviluppo E Studi Superiori in Sardegna, Cagliari, Italy
DOI: 10.1080/00268979600100221
Publication Frequency: 24 issues per year
Published in: journal Molecular Physics, Volume 87, Issue 2 February 1996 , pages 331 - 346
Formats available: PDF (English)
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Abstract

The self-consistent HMSA integral equation is derived for the square-well fluid and tested against Monte Carlo simulations. The phase diagram and mechanical properties are well reproduced, as well as radial distribution functions and structure factors. For narrow wells, the extent of vapour-liquid equilibria is reduced substantially, in qualitative agreement with results for the attractive Yukawa system. A recent sticky hard sphere mapping is tested to determine its validity.
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