Effect of Short- and Long-Range Forces on the Properties of Fluids. III. Dipolar and Quadrupolar Fluids.

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F01%3A27013095" target="_blank" >RIV/67985858:_____/01:27013095 - 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

Effect of Short- and Long-Range Forces on the Properties of Fluids. III. Dipolar and Quadrupolar Fluids.

Original language description

Using realistic pair potential models for acetone and carbon dioxide, both the spatial and orientational structure of these two typical multipolar (i.e. dipolar and quadrupolar, respectively) fluids is investigated in detail by computing the complete setof the site-site correlation functions, multipole-multipole correlation functions, and selected 2D correlation functions. The effect of the range of interactions on both the structural and thermodynamic properties of these fluids is studied by decomposing the potential into short- and long-range parts in the same manner as for water. It is found that the spatial arrangement of the molecules is only marginally affected by the long-range forces. The effect of the electrostatic interactions is signifcantat short separations and cannot be neglected but nevertheless the overall structure of the short-range and full systems is similar as well as their dielectric constants. These findings are also reflected in the dependence of the thermodyn

Czech name

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Czech description

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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

<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)

Publication year

2001

Confidentiality

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

Name of the periodical

Molecular Physics

ISSN

0026-8976

e-ISSN

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Volume of the periodical

99

Issue of the periodical within the volume

20

Country of publishing house

GB - UNITED KINGDOM

Number of pages

14

Pages from-to

1751-1764

UT code for WoS article

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EID of the result in the Scopus database

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