About: Vapor-Liquid Equilibria in Five-Site (TIP5P) Models of Water

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About: Vapor-Liquid Equilibria in Five-Site (TIP5P) Models of Water 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	Using the Gibbs ensemble Monte Carlo simulations, vapor-liquid equilibria in a new, reparametrized five-site model (TIP5P-E) of water have been determined and compared with the original TIP5P model of Mahoney and Jorgensen and TIP4P water. It is shown that for vapor-liquid equilibria properties the new model provides only a marginal improvement over the original model and both models are considerably inferior to the TIP4P model. Using the Gibbs ensemble Monte Carlo simulations, vapor-liquid equilibria in a new, reparametrized five-site model (TIP5P-E) of water have been determined and compared with the original TIP5P model of Mahoney and Jorgensen and TIP4P water. It is shown that for vapor-liquid equilibria properties the new model provides only a marginal improvement over the original model and both models are considerably inferior to the TIP4P model. (en)
Title	Vapor-Liquid Equilibria in Five-Site (TIP5P) Models of Water Vapor-Liquid Equilibria in Five-Site (TIP5P) Models of Water (en)
skos:prefLabel	Vapor-Liquid Equilibria in Five-Site (TIP5P) Models of Water Vapor-Liquid Equilibria in Five-Site (TIP5P) Models of Water (en)
skos:notation	RIV/67985858:_____/04:00340734!RIV10-AV0-67985858
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/02/0764), P(IAA4072309), Z(AV0Z4072921)
http://linked.open...iv/cisloPeriodika	22
http://linked.open...vai/riv/dodaniDat	2010
http://linked.open...aciTvurceVysledku	Nezbeda, Ivo Lísal, Martin
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	592097
http://linked.open...ai/riv/idVysledku	RIV/67985858:_____/04:00340734
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	VLE; water; model (en)
http://linked.open.../riv/klicoveSlovo	model water VLE
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[5BC0527D05A5]
http://linked.open...i/riv/nazevZdroje	Journal of Physical Chemistry B
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Molecular model of aqueous solutions of electrolytes and its application Prediction of Solubility for Large Molecules in Solvents by Parallelized Molecular Simulation Methods
http://linked.open...UplatneniVysledku	2004
http://linked.open...v/svazekPeriodika	108
http://linked.open...iv/tvurceVysledku	Lísal, Martin Nezbeda, Ivo Smith, W. R.
http://linked.open...ain/vavai/riv/wos	000221700300069
http://linked.open...n/vavai/riv/zamer	Theoretical fundamentals of chemical processes: equilibrium and dynamic behavior of multiphase reacting systems
issn	1520-6106
number of pages	3 (xsd:int)

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