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Free-energy density functional for the inhomogeneous hard-sphere fluid: Application to interfacial adsorption
Abstract
We propose a simplified version of the free-energy density functional for the inhomogeneous hard-sphere fluid mixture recently derived by Rosenfeld [Phys. Rev. Lett. 63, 980 (1989)]. This new functional, which requires four distinct weight functions, generates a triplet-direct-correlation function for the one-component fluid, which is in good agreement with Monte Carlo simulation results. It also performs well in describing the density profile of the hard-sphere fluid in contact with hard and soft walls. Yet, it is not suitable for studying the freezing transition.
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Cited by
Fundamental measure theory for hard-sphere mixtures revisited: the White Bear version
Roth, R., Evans, R., Lang, A., & Kahl, G. (2002) · Journal of Physics: Condensed Matter · doi:10.1088/0953-8984/14/46/313 · Cited by 677
Melting, freezing and colloidal suspensions
Löwen, H. (1994) · Physics Reports · doi:10.1016/0370-1573(94)90017-5 · Cited by 571
Ravikovitch, P. I., Haller, G. L., & Neimark, A. V. (1998) · Advances in Colloid and Interface Science · doi:10.1016/s0001-8686(98)00047-5 · Cited by 437
Microscopic Simulations of Electrochemical Double-Layer Capacitors
Jeanmairet, G., Rotenberg, B., & Salanne, M. (2022) · Chemical Reviews · doi:10.1021/acs.chemrev.1c00925 · Cited by 303
Density Functional for Hard Sphere Crystals: A Fundamental Measure Approach
Tarazona, P. (2000) · Physical Review Letters · doi:10.1103/physrevlett.84.694 · Cited by 276
Metadata
- Authors
- Kierlik, E., & Rosinberg, M. L.
- Venue
- Physical Review A
- Publisher
- American Physical Society (APS)
- Published
- 1990-09-01
- Volume
- 42
- Issue
- 6
- Pages
- 3382-3387
- ISSN
- 0556-2791 (ISSN-L)
- 1050-2947
- 1094-1622
- OpenAlex
- W1988111388
- Cited by
- 369
- References
- 0
- FWCI
- 7.60
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: Free-energy density functional for the inhomogeneous hard-sphere fluid: Application to interfacial adsorption. https://app.cochat.ai/papers/10.1103/physreva.42.3382
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- Kierlik, E., & Rosinberg, M. L. (1990). Free-energy density functional for the inhomogeneous hard-sphere fluid: Application to interfacial adsorption. Physical Review A. https://doi.org/10.1103/physreva.42.3382
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