Direct correlation function of the square-well fluid with attractive well width up to two particle diameters
Analytical expression for direct correlation function of the square-well fluid with an attractive well width up to two particle diameters (2 < lambda < or = 3) is reported. This result is obtained within the first-order mean-spherical approximation (FMSA) and represents the nontrivial extensio...
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| Published in | The Journal of chemical physics Vol. 130; no. 23; p. 234511 |
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| Main Authors | , , |
| Format | Journal Article |
| Language | English |
| Published |
United States
21.06.2009
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| Online Access | Get more information |
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| Summary: | Analytical expression for direct correlation function of the square-well fluid with an attractive well width up to two particle diameters (2 < lambda < or = 3) is reported. This result is obtained within the first-order mean-spherical approximation (FMSA) and represents the nontrivial extension of the recent study due to Tang [J. Chem. Phys. 127, 164504 (2007)], where the width of square-well attraction was limited by one particle diameter (1 < lambda < or = 2). Prediction of the FMSA theory is validated by direct comparison against Monte Carlo simulation data. Additionally, an impact of the increase in the range of attraction on the parameters of the critical point of the square-well fluid is discussed using the compressibility route to thermodynamics. |
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| ISSN: | 1089-7690 |
| DOI: | 10.1063/1.3154583 |