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

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About: Effect of Short- and Long-Range Forces on the Properties of Fluids. III. Dipolar and Quadrupolar Fluids. Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
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 set of 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 signifcant at 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 thermodynamic properties 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 set of 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 signifcant at 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 thermodynamic properties (en)
Title	Effect of Short- and Long-Range Forces on the Properties of Fluids. III. Dipolar and Quadrupolar Fluids. Effect of Short- and Long-Range Forces on the Properties of Fluids. III. Dipolar and Quadrupolar Fluids. (en)
skos:prefLabel	Effect of Short- and Long-Range Forces on the Properties of Fluids. III. Dipolar and Quadrupolar Fluids. Effect of Short- and Long-Range Forces on the Properties of Fluids. III. Dipolar and Quadrupolar Fluids. (en)
skos:notation	RIV/67985858:_____/01:27013095!RIV/2003/AV0/A27003/N
http://linked.open.../vavai/riv/strany	1751;1764
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(IAA4072908), Z(AV0Z4072921)
http://linked.open...iv/cisloPeriodika	20
http://linked.open...vai/riv/dodaniDat	2003
http://linked.open...aciTvurceVysledku	Nezbeda, Ivo Kolafa, Jiří Lísal, Martin
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav chemických procesů AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	678763
http://linked.open...ai/riv/idVysledku	RIV/67985858:_____/01:27013095
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	N/A (en)
http://linked.open.../riv/klicoveSlovo	N/A
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[F5516019FEE5]
http://linked.open...i/riv/nazevZdroje	Molecular Physics
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...vavai/riv/projekt	From simple models to a molecular theory of real associated fluids. theory and applications
http://linked.open...UplatneniVysledku	2001
http://linked.open...v/svazekPeriodika	99
http://linked.open...iv/tvurceVysledku	Kolafa, Jiří Lísal, Martin Nezbeda, Ivo
http://linked.open...n/vavai/riv/zamer	Theoretical fundamentals of chemical processes: equilibrium and dynamic behavior of multiphase reacting systems
issn	0026-8976
number of pages	14 (xsd:int)

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