About: Hydrophobic Hydration at the Level of Primitive Models. II. Large Solutes and Water Restructuring.

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About: Hydrophobic Hydration at the Level of Primitive Models. II. Large Solutes and Water Restructuring. 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	Details of structural changes that take place in water near an apolar solute have been studied by Monte Carlo simulations for hard sphere solutes of increasing size including the limiting case of water at a hard structureless wall. Water has been modeled by two different types of extended primitive models, the four-site EPM4 model and five-site EPM5 model. Two different patterns of the orientational ordering of the water molecules around the solute as a function of its size have been found. For the EPM5 model, the structure of water and the orientation of its molecules near an apolar solute of a finite diameter do not seem to be sensitive to the size of the solute, and become more pronounced only when the solute becomes a hard wall. On the contrary, the orientation ordering of the EPM4 molecules gradually changes with increasing size of the solute and for solutes larger than, approximately, five times the size of the water molecule it is opposite to that near a small solute. A novel method to evaluate Details of structural changes that take place in water near an apolar solute have been studied by Monte Carlo simulations for hard sphere solutes of increasing size including the limiting case of water at a hard structureless wall. Water has been modeled by two different types of extended primitive models, the four-site EPM4 model and five-site EPM5 model. Two different patterns of the orientational ordering of the water molecules around the solute as a function of its size have been found. For the EPM5 model, the structure of water and the orientation of its molecules near an apolar solute of a finite diameter do not seem to be sensitive to the size of the solute, and become more pronounced only when the solute becomes a hard wall. On the contrary, the orientation ordering of the EPM4 molecules gradually changes with increasing size of the solute and for solutes larger than, approximately, five times the size of the water molecule it is opposite to that near a small solute. A novel method to evaluate (en)
Title	Hydrophobic Hydration at the Level of Primitive Models. II. Large Solutes and Water Restructuring. Hydrophobic Hydration at the Level of Primitive Models. II. Large Solutes and Water Restructuring. (en)
skos:prefLabel	Hydrophobic Hydration at the Level of Primitive Models. II. Large Solutes and Water Restructuring. Hydrophobic Hydration at the Level of Primitive Models. II. Large Solutes and Water Restructuring. (en)
skos:notation	RIV/67985858:_____/02:27020097!RIV/2003/AV0/A27003/N
http://linked.open.../vavai/riv/strany	2189;2200
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(IAA4072908), Z(AV0Z4072921)
http://linked.open...iv/cisloPeriodika	14
http://linked.open...vai/riv/dodaniDat	2003
http://linked.open...aciTvurceVysledku	Nezbeda, Ivo 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	648153
http://linked.open...ai/riv/idVysledku	RIV/67985858:_____/02:27020097
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	water hydrophobic hydration (en)
http://linked.open.../riv/klicoveSlovo	water hydrophobic hydration
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[0257771BFDD8]
http://linked.open...i/riv/nazevZdroje	Molecular Physics
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...ocetUcastnikuAkce	0 (xsd:int)
http://linked.open...nichUcastnikuAkce	0 (xsd:int)
http://linked.open...vavai/riv/projekt	From simple models to a molecular theory of real associated fluids. theory and applications
http://linked.open...UplatneniVysledku	2002
http://linked.open...v/svazekPeriodika	100
http://linked.open...iv/tvurceVysledku	Nezbeda, Ivo Předota, Milan Cummings, P. T.
http://linked.open...n/vavai/riv/zamer	Theoretical fundamentals of chemical processes: equilibrium and dynamic behavior of multiphase reacting systems
issn	0026-8976
number of pages	12 (xsd:int)

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