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
Subjects:
Atomic & Nuclear Physics;
Chemical Physics;
Group Theory;
Mathematical Physics;
Physical Chemistry;
Quantum Mechanics;
Theoretical Physics;
Thermodynamics & Kinetic Theory;
Formats available:
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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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