About: Vapor-Liquid Equilibria of Alternative Refrigerants and Their Binaries by Molecular Simulations Employing the Reaction Gibbs Ensemble Monte Carlo Method

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About: Vapor-Liquid Equilibria of Alternative Refrigerants and Their Binaries by Molecular Simulations Employing the Reaction Gibbs Ensemble Monte Carlo Method Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Není k dispozici (cs) Alternative refrigerants HFC125 (CHF2CF3) and HFC 134a (CF3CH2F) are modeled as a dipolar two-center Lennard-Jones fluid and alternative refrigerant HFC32 (CH2F2) is modeled as a dipolar Lennard-Jones fluid. We calculate vapor-liquid equilibria of these refrigerants by Gibbs-Duhem integration and vapor-liquid equilibria of two binaries (HFC 125 + HFC 134a and HFC 134a + HFC 32) by the reaction Gibbs ensemble Monte Carlo method. Potential parameters of the model are fitted to the critical temperature and vapor-liquid equilibrium data. The predictions are very good, and of comparable accuracy to those obtained using the Wilson and the UNIFAC thermodynamic-based approaches, even though such approaches use experimental mixture information. Alternative refrigerants HFC125 (CHF2CF3) and HFC 134a (CF3CH2F) are modeled as a dipolar two-center Lennard-Jones fluid and alternative refrigerant HFC32 (CH2F2) is modeled as a dipolar Lennard-Jones fluid. We calculate vapor-liquid equilibria of these refrigerants by Gibbs-Duhem integration and vapor-liquid equilibria of two binaries (HFC 125 + HFC 134a and HFC 134a + HFC 32) by the reaction Gibbs ensemble Monte Carlo method. Potential parameters of the model are fitted to the critical temperature and vapor-liquid equilibrium data. The predictions are very good, and of comparable accuracy to those obtained using the Wilson and the UNIFAC thermodynamic-based approaches, even though such approaches use experimental mixture information. (en)
Title	Vapor-Liquid Equilibria of Alternative Refrigerants and Their Binaries by Molecular Simulations Employing the Reaction Gibbs Ensemble Monte Carlo Method Není k dispozici (cs) Vapor-Liquid Equilibria of Alternative Refrigerants and Their Binaries by Molecular Simulations Employing the Reaction Gibbs Ensemble Monte Carlo Method (en)
skos:prefLabel	Vapor-Liquid Equilibria of Alternative Refrigerants and Their Binaries by Molecular Simulations Employing the Reaction Gibbs Ensemble Monte Carlo Method Není k dispozici (cs) Vapor-Liquid Equilibria of Alternative Refrigerants and Their Binaries by Molecular Simulations Employing the Reaction Gibbs Ensemble Monte Carlo Method (en)
skos:notation	RIV/68407700:21220/04:02099636!RIV/2005/MSM/212205/N
http://linked.open.../vavai/riv/strany	213 ; 220
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(1ET400720409), P(IAA4072301), Z(AV0Z4072921), Z(MSM 212200008)
http://linked.open...iv/cisloPeriodika	1
http://linked.open...vai/riv/dodaniDat	2005
http://linked.open...aciTvurceVysledku	Vacek, Václav
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	České vysoké učení technické v Praze / Fakulta strojní
http://linked.open...dnocenehoVysledku	592098
http://linked.open...ai/riv/idVysledku	RIV/68407700:21220/04:02099636
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Computer simulation; equilibrium; molecular models; refrigerants; thermodynamics (en)
http://linked.open.../riv/klicoveSlovo	equilibrium molecular models Computer simulation thermodynamics refrigerants
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[F86E93C9F841]
http://linked.open...i/riv/nazevZdroje	Fluid Phase Equilibria
http://linked.open...in/vavai/riv/obor	BJ
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Applicationof advanced simulation methods for studying the structure, physico-chemical properties, and preparationof composites and nanomaterials Description of thermodynamic behaviour of fluid systems at superambient conditions based on molecular models
http://linked.open...UplatneniVysledku	2004
http://linked.open...v/svazekPeriodika	1
http://linked.open...iv/tvurceVysledku	Vacek, Václav Lísal, M. Budinský, R.
http://linked.open...n/vavai/riv/zamer	http://linked.opendata.cz/resource/domain/vavai/zamer/MSM%20212200008 Theoretical fundamentals of chemical processes: equilibrium and dynamic behavior of multiphase reacting systems
issn	0378-3812
number of pages	8 (xsd:int)
http://localhost/t...ganizacniJednotka	21220

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