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The structural properties of a two-Yukawa fluid: Simulation and analytical results.
- Source :
-
Journal of Chemical Physics . 2/28/2006, Vol. 124 Issue 8, p084501. 9p. 1 Chart, 8 Graphs. - Publication Year :
- 2006
-
Abstract
- Standard Monte Carlo simulations are carried out to assess the accuracy of theoretical predictions for the structural properties of a model fluid interacting through a hard-core two-Yukawa potential composed of a short-range attractive well next to a hard repulsive core, followed by a smooth, long-range repulsive tail. Theoretical calculations are performed in the framework provided by the Ornstein-Zernike equation, solved either analytically with the mean spherical approximation (MSA) or iteratively with the hypernetted-chain (HNC) closure. Our analysis shows that both theories are generally accurate in a thermodynamic region corresponding to a dense vapor phase around the critical point. For a suitable choice of potential parameters, namely, when the attractive well is deep and/or large enough, the static structure factor displays a secondary low-Q peak. In this case HNC predictions closely follow the simulation results, whereas MSA results progressively worsen the more pronounced this low-Q peak is. We discuss the appearance of such a peak, also experimentally observed in colloidal suspensions and protein solutions, in terms of the formation of equilibrium clusters in the homogeneous fluid. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 124
- Issue :
- 8
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 20080719
- Full Text :
- https://doi.org/10.1063/1.2166390