DOI: 10.1063/1.2953329. Fundamental measure density functional theory studies on the freezing of binary hard-sphere and Lennard-Jones mixtures

Fundamental measure density functional theory studies on the freezing of binary hard-sphere and Lennard-Jones mixtures

10.1063/1.2953329

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

Free energies and correlation functions of liquid and solid hard-sphere (HS) mixtures are calculated using the fundamental measure density functional theory. Using the thermodynamic perturbation theory the free energies of solid and liquid Lennard-Jones (LJ) mixtures are obtained from correlation functions of HS systems within a single theoretical approach. The resulting azeotrope- and spindle-type solid-liquid phase diagrams of HS and LJ binary mixtures are in good agreement with the corresponding ones from computer simulations.

Bibliography

Warshavsky, V. B., & Song, X. (2008). Fundamental measure density functional theory studies on the freezing of binary hard-sphere and Lennard-Jones mixtures. The Journal of Chemical Physics, 129(3).

Authors 2

Vadim B. Warshavsky (first)
Xueyu Song (additional)

References 42 Referenced 18

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Dates

Type	When
Created	17 years, 1 month ago (July 19, 2008, 6:02 p.m.)
Deposited	2 years, 1 month ago (July 29, 2023, 1:58 a.m.)
Indexed	1 month ago (July 30, 2025, 6:50 a.m.)
Issued	17 years, 1 month ago (July 18, 2008)
Published	17 years, 1 month ago (July 18, 2008)
Published Online	17 years, 1 month ago (July 18, 2008)
Published Print	17 years, 1 month ago (July 21, 2008)

Funders 0

None

BibTeX

@article{Warshavsky_2008, title={Fundamental measure density functional theory studies on the freezing of binary hard-sphere and Lennard-Jones mixtures}, volume={129}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.2953329}, DOI={10.1063/1.2953329}, number={3}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Warshavsky, Vadim B. and Song, Xueyu}, year={2008}, month=jul }

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