DOI: 10.1063/1.478426. Optimal packing of polydisperse hard-sphere fluids

Optimal packing of polydisperse hard-sphere fluids

10.1063/1.478426

Crossref journal-article

AIP Publishing

The Journal of Chemical Physics (317)

Abstract

We consider the effect of intermolecular interactions on the optimal size-distribution of N hard spheres that occupy a fixed total volume. When we minimize the free-energy of this system, within the Percus–Yevick approximation, we find that no solution exists beyond a quite low threshold (η≈0.260). Monte Carlo simulations reveal that beyond this density, the size-distribution becomes bimodal. Such distributions cannot be reproduced within the Percus–Yevick approximation. We present a theoretical argument that supports the occurrence of a nonmonotonic size-distribution and emphasize the importance of finite size effects.

Bibliography

Zhang, J., Blaak, R., Trizac, E., Cuesta, J. A., & Frenkel, D. (1999). Optimal packing of polydisperse hard-sphere fluids. The Journal of Chemical Physics, 110(11), 5318â5324.

Authors 5

Junfang Zhang (first)
Ronald Blaak (additional)
Emmanuel Trizac (additional)
José A. Cuesta (additional)
Daan Frenkel (additional)

References 9 Referenced 28

10.1063/1.444274 / J. Chem. Phys. (1982)
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{'key': '2023062601191521800_r3'}
10.1063/1.443634 / J. Chem. Phys. (1982)
10.1063/1.1673684 / J. Chem. Phys. (1970)
10.1063/1.1675048 / J. Chem. Phys. (1971)
10.1021/j100303a007 / J. Phys. Chem. (1987)
10.1063/1.449987 / J. Chem. Phys. (1986)
10.1080/00268979100100521 / Mol. Phys. (1991)

Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 8:17 a.m.)
Deposited	2 years, 2 months ago (June 25, 2023, 9:22 p.m.)
Indexed	1 year, 6 months ago (Feb. 11, 2024, 5:59 a.m.)
Issued	26 years, 5 months ago (March 15, 1999)
Published	26 years, 5 months ago (March 15, 1999)
Published Print	26 years, 5 months ago (March 15, 1999)

Funders 0

None

BibTeX

@article{Zhang_1999, title={Optimal packing of polydisperse hard-sphere fluids}, volume={110}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.478426}, DOI={10.1063/1.478426}, number={11}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Zhang, Junfang and Blaak, Ronald and Trizac, Emmanuel and Cuesta, José A. and Frenkel, Daan}, year={1999}, month=mar, pages={5318–5324} }

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