About: Potential of Mean Force between Ions Infinitely Diluted Simple Short-Range Models of Aqueous Electrolytes

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Za účelem zkoumání vlivu dlouhodosahových interakcí v roztocích elektrolytů byl zkoumán jednoduchý model ve kterém byla přítažllivá Coulombovská interakce nahražena potenciálem trojúhelníkové jámy. Byl určen potenciál střední síly v tomto modelovém roztoku a ukázáno, že se kvalitativně shoduje s potenciálem získaným z realistických modelů. (cs) As an attempt to assess the effect of the long-range electrostatic interactions in solutions of electrolytes, a simple short-range (SSR) model of electrolytes made up of primitive water and primitive ions (i.e., ions whose Coulombic interaction with water has been replaced by a triangular-well interaction) has been considered to compute the potential of mean force. The size of the primitive ions has been set so as to approximate realistic NaCl, LiI, and CsCl electrolytes. It is shown that despite the missing long-range Coulombic interaction the model captures the basic features of real electrolytes and the indirect, i.e. water mediated, potential of mean force in SSR is in qualitative agreement with that of realistic models. As an attempt to assess the effect of the long-range electrostatic interactions in solutions of electrolytes, a simple short-range (SSR) model of electrolytes made up of primitive water and primitive ions (i.e., ions whose Coulombic interaction with water has been replaced by a triangular-well interaction) has been considered to compute the potential of mean force. The size of the primitive ions has been set so as to approximate realistic NaCl, LiI, and CsCl electrolytes. It is shown that despite the missing long-range Coulombic interaction the model captures the basic features of real electrolytes and the indirect, i.e. water mediated, potential of mean force in SSR is in qualitative agreement with that of realistic models. (en)
Title	Potential of Mean Force between Ions Infinitely Diluted Simple Short-Range Models of Aqueous Electrolytes Potenciál střední síly mezi ionty v nekonečně zředěném roztoku elektrolytů jednoduchých krátkodosahových modelů (cs) Potential of Mean Force between Ions Infinitely Diluted Simple Short-Range Models of Aqueous Electrolytes (en)
skos:prefLabel	Potential of Mean Force between Ions Infinitely Diluted Simple Short-Range Models of Aqueous Electrolytes Potenciál střední síly mezi ionty v nekonečně zředěném roztoku elektrolytů jednoduchých krátkodosahových modelů (cs) Potential of Mean Force between Ions Infinitely Diluted Simple Short-Range Models of Aqueous Electrolytes (en)
skos:notation	RIV/67985858:_____/05:00028737!RIV06-AV0-67985858
http://linked.open.../vavai/riv/strany	261;270
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/02/0764), Z(AV0Z40720504)
http://linked.open...iv/cisloPeriodika	2
http://linked.open...vai/riv/dodaniDat	2006
http://linked.open...aciTvurceVysledku	Nezbeda, Ivo Vlček, Lukáš
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	537239
http://linked.open...ai/riv/idVysledku	RIV/67985858:_____/05:00028737
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	aqueou selecrolytes; ssr model; primitive water (en)
http://linked.open.../riv/klicoveSlovo	aqueou selecrolytes primitive water ssr model
http://linked.open...odStatuVydavatele	UA - Ukrajina
http://linked.open...ontrolniKodProRIV	[A869444F1059]
http://linked.open...i/riv/nazevZdroje	Condensed Matter Physics
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...vavai/riv/projekt	Molecular model of aqueous solutions of electrolytes and its application
http://linked.open...UplatneniVysledku	2005
http://linked.open...v/svazekPeriodika	8
http://linked.open...iv/tvurceVysledku	Nezbeda, Ivo Vlček, Lukáš
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
issn	1607-324X
number of pages	10 (xsd:int)

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