Fundamental measure theory for the inhomogeneous hard-sphere system based on Santos' consistent free energy
Based on Santos' general solution for the scaled-particle differential equation [Phys. Rev. E 86, 040102(R) (2012)], we construct a free-energy functional for the hard-sphere system. The functional is obtained by a suitable generalization and extension of the set of scaled-particle variables using the weighted densities from Rosenfeld's fundamental measure theory for the hard-sphere mixture [Phys. Rev. Lett. 63, 980 (1989)]. While our general result applies to the hard-sphere mixture, we specify remaining degrees of freedom by requiring the functional to comply with known properties of the pure hard-sphere system. Both for mixtures and pure systems, the functional can be systematically extended following the lines of our derivation. We test the resulting functionals regarding their behavior upon dimensional reduction of the fluid as well as their ability to accurately describe the hard-sphere crystal and the liquid-solid transition.
| Medienart: |
E-Artikel |
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| Erscheinungsjahr: |
2015 |
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| Erschienen: |
2015 |
| Enthalten in: |
Zur Gesamtaufnahme - volume:91 |
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| Enthalten in: |
Physical review. E, Statistical, nonlinear, and soft matter physics - 91(2015), 5 vom: Mai, Seite 052121 |
| Sprache: |
Englisch |
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| Beteiligte Personen: |
Hansen-Goos, Hendrik [VerfasserIn] |
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| Themen: |
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| Anmerkungen: |
Date Completed 12.08.2015 Date Revised 13.06.2015 published: Print-Electronic Citation Status PubMed-not-MEDLINE |
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| Förderinstitution / Projekttitel: |
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NLM249877236 |
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| 100 | 1 | |a Hansen-Goos, Hendrik |e verfasserin |4 aut | |
| 245 | 1 | 0 | |a Fundamental measure theory for the inhomogeneous hard-sphere system based on Santos' consistent free energy |
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| 500 | |a Date Revised 13.06.2015 | ||
| 500 | |a published: Print-Electronic | ||
| 500 | |a Citation Status PubMed-not-MEDLINE | ||
| 520 | |a Based on Santos' general solution for the scaled-particle differential equation [Phys. Rev. E 86, 040102(R) (2012)], we construct a free-energy functional for the hard-sphere system. The functional is obtained by a suitable generalization and extension of the set of scaled-particle variables using the weighted densities from Rosenfeld's fundamental measure theory for the hard-sphere mixture [Phys. Rev. Lett. 63, 980 (1989)]. While our general result applies to the hard-sphere mixture, we specify remaining degrees of freedom by requiring the functional to comply with known properties of the pure hard-sphere system. Both for mixtures and pure systems, the functional can be systematically extended following the lines of our derivation. We test the resulting functionals regarding their behavior upon dimensional reduction of the fluid as well as their ability to accurately describe the hard-sphere crystal and the liquid-solid transition | ||
| 650 | 4 | |a Journal Article | |
| 700 | 1 | |a Mortazavifar, Mostafa |e verfasserin |4 aut | |
| 700 | 1 | |a Oettel, Martin |e verfasserin |4 aut | |
| 700 | 1 | |a Roth, Roland |e verfasserin |4 aut | |
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