About: On Determination of the Vapor-Liquid Envelope for Polarizable Models by Monte Carlo Simulation.

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About: On Determination of the Vapor-Liquid Envelope for Polarizable Models by Monte Carlo Simulation. Goto Sponge NotDistinct Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	We present Gibbs ensemble Monte Carlo (GEMC) simulations of SCPDP polarizable model for water. Our results seem to be more consistent and accurate than the literature data. Our simulations suggest that GEMC of polarizable models with exact treatment of the polarizable interactions is feasible, though its efficiency is rather low. The application of a newly proposed approximate method to treat the polarizable interactions in Monte Carlo is expected to remedy this deficiency. We present Gibbs ensemble Monte Carlo (GEMC) simulations of SCPDP polarizable model for water. Our results seem to be more consistent and accurate than the literature data. Our simulations suggest that GEMC of polarizable models with exact treatment of the polarizable interactions is feasible, though its efficiency is rather low. The application of a newly proposed approximate method to treat the polarizable interactions in Monte Carlo is expected to remedy this deficiency. (en)
Title	On Determination of the Vapor-Liquid Envelope for Polarizable Models by Monte Carlo Simulation. On Determination of the Vapor-Liquid Envelope for Polarizable Models by Monte Carlo Simulation. (en)
skos:prefLabel	On Determination of the Vapor-Liquid Envelope for Polarizable Models by Monte Carlo Simulation. On Determination of the Vapor-Liquid Envelope for Polarizable Models by Monte Carlo Simulation. (en)
skos:notation	RIV/67985858:_____/01:27013102!RIV/2003/AV0/A27003/N
http://linked.open.../vavai/riv/strany	295;300
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(AV0Z4072921)
http://linked.open...iv/cisloPeriodika	N/A
http://linked.open...vai/riv/dodaniDat	2003
http://linked.open...aciTvurceVysledku	Předota, Milan
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	689860
http://linked.open...ai/riv/idVysledku	RIV/67985858:_____/01:27013102
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	N/A (en)
http://linked.open.../riv/klicoveSlovo	N/A
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[7019E908557E]
http://linked.open...i/riv/nazevZdroje	Fluid Phase Equilibria
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...UplatneniVysledku	2001
http://linked.open...v/svazekPeriodika	183-184
http://linked.open...iv/tvurceVysledku	Předota, Milan Cummings, P. T. Chialvo, A. A.
http://linked.open...n/vavai/riv/zamer	Theoretical fundamentals of chemical processes: equilibrium and dynamic behavior of multiphase reacting systems
issn	0378-3812
number of pages	6 (xsd:int)

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