About: Low-temperature and high-temperature approximations for penetrable-sphere fluids: Comparisons with Monte Crlo simulations and integral equation theories

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About: Low-temperature and high-temperature approximations for penetrable-sphere fluids: Comparisons with Monte Crlo simulations and integral equation theories Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	The two-body interaction in dilute solutions of polymer chains in good solvents can be modeled by means of effective bounded potentials, the simplest of which being that of penetrable spheres (PSs). In this paper we construct two simple analytical theories for the structural properties of PS fluids: a low-temperature (LT) approximation, that can be seen as an extension to PSs of the well-known solution of the Percus-Yevick (PY) equation for hard spheres, and a high-temperature (HT) approximation based on the exact asymptotic behavior in the limit of infinite temperature. Monte Carlo simulations for a wide range of temperatures and densities are performed to assess the validity of both theories. It is found that, despite their simplicity, the HT and LT approximations exhibit a fair agreement with the simulation data within their respective domains of applicability, so that they complement each other. A comparison with numerical solutions of the PY and the hypernetted-chain approximations is also carrie The two-body interaction in dilute solutions of polymer chains in good solvents can be modeled by means of effective bounded potentials, the simplest of which being that of penetrable spheres (PSs). In this paper we construct two simple analytical theories for the structural properties of PS fluids: a low-temperature (LT) approximation, that can be seen as an extension to PSs of the well-known solution of the Percus-Yevick (PY) equation for hard spheres, and a high-temperature (HT) approximation based on the exact asymptotic behavior in the limit of infinite temperature. Monte Carlo simulations for a wide range of temperatures and densities are performed to assess the validity of both theories. It is found that, despite their simplicity, the HT and LT approximations exhibit a fair agreement with the simulation data within their respective domains of applicability, so that they complement each other. A comparison with numerical solutions of the PY and the hypernetted-chain approximations is also carrie (en)
Title	Low-temperature and high-temperature approximations for penetrable-sphere fluids: Comparisons with Monte Crlo simulations and integral equation theories Low-temperature and high-temperature approximations for penetrable-sphere fluids: Comparisons with Monte Crlo simulations and integral equation theories (en)
skos:prefLabel	Low-temperature and high-temperature approximations for penetrable-sphere fluids: Comparisons with Monte Crlo simulations and integral equation theories Low-temperature and high-temperature approximations for penetrable-sphere fluids: Comparisons with Monte Crlo simulations and integral equation theories (en)
skos:notation	RIV/60461373:22340/07:00018439!RIV11-GA0-22340___
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GP203/06/P432), P(LC512), Z(AV0Z40720504), Z(MSM0021620860)
http://linked.open...iv/cisloPeriodika	1
http://linked.open...vai/riv/dodaniDat	2011
http://linked.open...aciTvurceVysledku	Malijevský, Alexandr
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	Vysoká škola chemicko-technologická v Praze / Fakulta chemicko-inženýrská
http://linked.open...dnocenehoVysledku	431507
http://linked.open...ai/riv/idVysledku	RIV/60461373:22340/07:00018439
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	statistical thermodynamics; penetrable speres, Monte Carlo methods (en)
http://linked.open.../riv/klicoveSlovo	penetrable speres Monte Carlo methods statistical thermodynamics
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[38226C4C73AD]
http://linked.open...i/riv/nazevZdroje	Physical Review E
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...vavai/riv/projekt	Center for biomolecules and complex molecular systems Theoretical and pseudoexperimental description of fundamental molecular systems
http://linked.open...UplatneniVysledku	2007
http://linked.open...v/svazekPeriodika	76
http://linked.open...iv/tvurceVysledku	Malijevský, Alexandr Lopez de Haro, Mariano Santos, Andres Yuste, Santos Bravo
http://linked.open...ain/vavai/riv/wos	000249154600047
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 Fyzikální studium objektů a procesů ve sluneční soustavě a v astrofyzikálních systémech
issn	1539-3755
number of pages	13 (xsd:int)
http://localhost/t...ganizacniJednotka	22340

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