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

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  • 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)
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  • 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___
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  • P(IAA400720710)
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  • 3
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  • 310859
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  • RIV/44555601:13440/09:00004858
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  • Inhomogeneous system; distribution function; heteronuclear dumbbell; cavity function; residual chemical potential; geometric quantities (en)
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  • GB - Spojené království Velké Británie a Severního Irska
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  • [7ED858E92929]
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  • Molecular Physics
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  • 107
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  • Boublík, Tomáš
http://linked.open...ain/vavai/riv/wos
  • 000265289600002
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  • 0026-8976
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  • 13440
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