About: Thermodynamics of Pseudo-hard Body Mixtures

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Thermodynamic properties of binary mixtures of hard spheres of various size and pseudo-hard bodies, mimicking the short-range non-additive repulsive interactions in realistic models of water, have been determined over the entire concentration range using standard NVT Monte Carlo simulations. Virial coefficients of the mixture have also been computed. Having no other theoretical tool currently available, a perturbed virial expansion is examined with respect to its potential to estimate/predict the properties of the mixture without resorting to any fitting of simulation data. The perturbed virial expansion is found to perform quite accurately for the mixtures containing larger spheres, whereas for small spheres dissolved in water the result is only qualitatively correct. Thermodynamic properties of binary mixtures of hard spheres of various size and pseudo-hard bodies, mimicking the short-range non-additive repulsive interactions in realistic models of water, have been determined over the entire concentration range using standard NVT Monte Carlo simulations. Virial coefficients of the mixture have also been computed. Having no other theoretical tool currently available, a perturbed virial expansion is examined with respect to its potential to estimate/predict the properties of the mixture without resorting to any fitting of simulation data. The perturbed virial expansion is found to perform quite accurately for the mixtures containing larger spheres, whereas for small spheres dissolved in water the result is only qualitatively correct. (en) Monte Carlo simulacemi byly určeny termodynamické vlastnosti směsi pseudo-tuhých tělles a tuhých koulí. Byly vypočteny viriální koeficienty a poruchový viriální rozvoj byl použit k teoretickému popisu výsledků. Bylo nalezeno, že pro velké tuhé koule použitý popis je přesný, přesnost se ale zmenšuje s klesající velikostí rozpuštěné tuhé koule. (cs)
Title	Thermodynamics of Pseudo-hard Body Mixtures Termodynamika směsí pseudo-tuhých těles (cs) Thermodynamics of Pseudo-hard Body Mixtures (en)
skos:prefLabel	Thermodynamics of Pseudo-hard Body Mixtures Termodynamika směsí pseudo-tuhých těles (cs) Thermodynamics of Pseudo-hard Body Mixtures (en)
skos:notation	RIV/67985858:_____/09:00323569!RIV09-AV0-67985858
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(IAA400720710), P(IAA400720802), Z(AV0Z40720504)
http://linked.open...iv/cisloPeriodika	21-23
http://linked.open...vai/riv/dodaniDat	2009
http://linked.open...aciTvurceVysledku	Nezbeda, Ivo
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	346243
http://linked.open...ai/riv/idVysledku	RIV/67985858:_____/09:00323569
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	pseudo-hard bodies; mixtures; virial coefficients (en)
http://linked.open.../riv/klicoveSlovo	pseudo-hard bodies mixtures virial coefficients
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[EFA3582F7401]
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	2 (xsd:int)
http://linked.open...vavai/riv/projekt	Simple and complex models of aqueous solutions: The effect of nonadditive interactions 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	106
http://linked.open...iv/tvurceVysledku	Nezbeda, Ivo Rouha, M.
http://linked.open...ain/vavai/riv/wos	000261765000009
http://linked.open...n/vavai/riv/zamer	Investigation of multiphase reacting systems for the design of processes important in synthesis and preparation of novel materials, in energy production and in environmental protection
issn	0026-8976
number of pages	5 (xsd:int)

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