Fluids of Pseudo-hard Bodies: The Direct Correlation Function.
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F02%3A27030222" target="_blank" >RIV/67985858:_____/02:27030222 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Fluids of Pseudo-hard Bodies: The Direct Correlation Function.
Original language description
A new series of computer simulations on a fluid of pseudo-hard bodies is conducted in order to find a closed analytical expression for direct correlation function as a function of intermolecular distance and fluid density, in analogy with a similar expression for the fluid of hard spheres. Pseudo-hard body resulting from the extended primitive model of water is considered. The accuracy of the expression is tested against the computer simulation results for pair correlation function and pressure of the system and turns up to be fairly high. The direct correlation function is important for the construction of weighted density functionals and consequently any other theoretical study of the properties of inhomogeneous systems containing associating component.
Czech name
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Czech description
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Classification
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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Result continuities
Project
<a href="/en/project/IAA4072908" target="_blank" >IAA4072908: From simple models to a molecular theory of real associated fluids. theory and applications</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2002
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Molecular Physics
ISSN
0026-8976
e-ISSN
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Volume of the periodical
100
Issue of the periodical within the volume
12
Country of publishing house
GB - UNITED KINGDOM
Number of pages
7
Pages from-to
1981-1987
UT code for WoS article
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EID of the result in the Scopus database
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