Non-Lorentz?Berthelot Lennard-Jones Mixtures: A Systematic Study

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F09%3A00324984" target="_blank" >RIV/67985858:_____/09:00324984 - isvavai.cz</a>

Alternative codes found

RIV/44555601:13440/09:00004185

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

Non-Lorentz?Berthelot Lennard-Jones Mixtures: A Systematic Study

Original language description

Binary mixtures of two identical Lennard-Jones fluids with non-Lorentz?Berthelot combining rules have been simulated over the entire concentration range at three state points in order to examine the effect of cross interactions on the mixing properties,excess volumes and enthalpies, and partial molar volumes, and on the structure. Various combinations of deviations, in both the energy and size cross parameters, from the Lorentz?Berthelot rule, have been considered and the results analyzed using a recently proposed method based on the Tikhonov regularization. It is found that the most important is the size cross parameter and that by varying the combining rules a variety of qualitatively different behavior can be produced including, e.g., a minimum inthe partial molar volumes observed otherwise only in complex mixtures of associating fluids; occurrence of this minimum seems to be associated with changes in the second coordination shell as witnessed by the pair correlation function.

Czech name

Non-Lorentz?Berthelotovy a Lennard-Jones směsy: metodická studie

Czech description

Binární směs dvou identických Lannard-Jonesových kapalin s non-Lorentz?Berthelotovým kombinačním pravidlem byla simulována přes celý rozsah koncentrací a byl studován jeho vliv na směšovací vlastnosti. Bylo zjištěno, že největší vliv má křížový velikostní parametr a že jeho změnami lze docílit dokonce i kvalitativní změnu vlastností směsi.

Type

J_x - 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

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year

2009

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Fluid Phase Equilibria

ISSN

0378-3812

e-ISSN

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Volume of the periodical

277

Issue of the periodical within the volume

1

Country of publishing house

NL - THE KINGDOM OF THE NETHERLANDS

Number of pages

7

Pages from-to

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UT code for WoS article

000264414900007

EID of the result in the Scopus database

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