Alternative Fundamental Measure Theory for Additive Hard Spheres Mixtures

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F06%3A00081903" target="_blank" >RIV/67985858:_____/06:00081903 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
Alternative Fundamental Measure Theory for Additive Hard Spheres Mixtures
Original language description
The purpose of this short paper is to present an alternative fundamental measure theory (FMT) for hard sphere mixtures. Keeping the main features of the original Rosenfeld's FMT [Phys. Rev. Lett. 63, 980 (1989)] and using the dimensional and the low-density limit conditions a new functional is derived incorporating Boubl?k's multicomponent extension [Mol. Phys. 59, 371 (1986)] of highly accurate Kolafa's equation of state for pure hard spheres. We test the theory for pure hard spheres and hard sphere mixtures near a planar hard wall and compare the results with the original Rosenfeld's FMT and one of its modifications and with new very accurate simulation data.
Czech name
Alternativní teorie fundamentální míry pro additivní směs tuhých koulí
Czech description
V této práci navrhuji nový přístup v rámci teorie fundamentální míry, tedy nejpřesnější teorie funkcionálu hustoty ve statistické mechanice.

Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2006
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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