About: Distribution functions of a heteronuclear hard dumbbell at a hard wall. Pure fluid and mixtures with hard spheres

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Distribution functions (angle-averaged site/wall correlation functions) in inhomogeneous systems of a heteronuclear hard dumbbell (of the site diameter ratio σ2/σ1 = 0.5 and L=0.625) were studied theoretically by applying a simple method to determine the background (cavity) correlation function from the residual chemical potentials of the hard dumbbell, hard wall and the corresponding combined body. Pure fluid and approximately equimolar mixtures of dumbbells and hard spheres were considered at several densities. Theoretical distribution functions for the most important site/wall distances were calculated and compared with simulation data; fair agreement was found. Advantage of the proposed method is its simplicity (the residual chemical potential depends, besides the packing fraction, only on the geometric characteristics of the hard body ) its volumr, surface area and mean radius); the method provides quick information on the density profiles in different inhomogeneous systems. Distribution functions (angle-averaged site/wall correlation functions) in inhomogeneous systems of a heteronuclear hard dumbbell (of the site diameter ratio σ2/σ1 = 0.5 and L=0.625) were studied theoretically by applying a simple method to determine the background (cavity) correlation function from the residual chemical potentials of the hard dumbbell, hard wall and the corresponding combined body. Pure fluid and approximately equimolar mixtures of dumbbells and hard spheres were considered at several densities. Theoretical distribution functions for the most important site/wall distances were calculated and compared with simulation data; fair agreement was found. Advantage of the proposed method is its simplicity (the residual chemical potential depends, besides the packing fraction, only on the geometric characteristics of the hard body ) its volumr, surface area and mean radius); the method provides quick information on the density profiles in different inhomogeneous systems. (en)
Title	Distribution functions of a heteronuclear hard dumbbell at a hard wall. Pure fluid and mixtures with hard spheres Distribution functions of a heteronuclear hard dumbbell at a hard wall. Pure fluid and mixtures with hard spheres (en)
skos:prefLabel	Distribution functions of a heteronuclear hard dumbbell at a hard wall. Pure fluid and mixtures with hard spheres Distribution functions of a heteronuclear hard dumbbell at a hard wall. Pure fluid and mixtures with hard spheres (en)
skos:notation	RIV/44555601:13440/09:00004858!RIV10-AV0-13440___
http://linked.open...avai/riv/aktivita	P
http://linked.open...avai/riv/aktivity	P(IAA400720710)
http://linked.open...iv/cisloPeriodika	3
http://linked.open...vai/riv/dodaniDat	2010
http://linked.open...aciTvurceVysledku	Boublík, Tomáš
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	Univerzita Jana Evangelisty Purkyně v Ústí nad Labem / Přírodovědecká fakulta
http://linked.open...dnocenehoVysledku	310859
http://linked.open...ai/riv/idVysledku	RIV/44555601:13440/09:00004858
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Inhomogeneous system; distribution function; heteronuclear dumbbell; cavity function; residual chemical potential; geometric quantities (en)
http://linked.open.../riv/klicoveSlovo	distribution function Inhomogeneous system cavity function geometric quantities heteronuclear dumbbell residual chemical potential
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[7ED858E92929]
http://linked.open...i/riv/nazevZdroje	Molecular Physics
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	1 (xsd:int)
http://linked.open...vavai/riv/projekt	Determination of the phase and state behaviour of fluids and fluid mixtures for processes at superambient conditions: molecular-based theory and experiment
http://linked.open...UplatneniVysledku	2009
http://linked.open...v/svazekPeriodika	107
http://linked.open...iv/tvurceVysledku	Boublík, Tomáš
http://linked.open...ain/vavai/riv/wos	000265289600002
issn	0026-8976
number of pages	7 (xsd:int)
http://localhost/t...ganizacniJednotka	13440
is http://linked.open...avai/riv/vysledek of	Distribution functions of a heteronuclear hard dumbbell at a hard wall. Pure fluid and mixtures with hard spheres Distribution functions of a heteronuclear hard dumbbell at a hard wall. Pure fluid and mixtures with hard spheres Distribution functions of a heteronuclear hard dumbbell at a hard wall. Pure fluid and mixtures with hard spheres Distribution functions of a heteronuclear hard dumbbell at a hard wall. Pure fluid and mixtures with hard spheres

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