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Computer simulation study of the closure relations in hard sphere fluids

FANTONI, RICCARDO
•
PASTORE, GIORGIO
2004
  • journal article

Periodico
THE JOURNAL OF CHEMICAL PHYSICS
Abstract
We study, using Monte Carlo simulations, the cavity and the bridge functions of various hard sphere fluids: one component system, equimolar additive, and nonadditive binary mixtures. In particular, we numerically check the assumption of local dependency of the bridge functions from the indirect correlation functions, on which most of the existing integral equation theories hinge. We find that this condition can be violated either in the region around the first and second neighbors shell, or inside the hard core, for the systems here considered. The violations manifest themselves clearly in the so-called Duh–Haymet plots of the bridge functions versus the indirect correlation functions and become amplified as the coupling of the system increases.
DOI
10.1063/1.1739392
WOS
WOS:000221538200034
Archivio
http://hdl.handle.net/11368/1699306
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-2942662065
Diritti
metadata only access
Soggetti
  • theory of classical l...

Web of Science© citazioni
16
Data di acquisizione
Feb 28, 2024
Visualizzazioni
3
Data di acquisizione
Apr 19, 2024
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