About: Effect of Short and Long Range Forces on the Thermodynamic Properties of Water. A Simple Short Range Reference System.

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About: Effect of Short and Long Range Forces on the Thermodynamic Properties of Water. A Simple Short Range Reference System. 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	Three realistic potential models of water, the non-polarizable ST2 and TIP4P models, and the polarizable TIP4P/P model, were used in computer simulations to study the effect of the range of intermolecular interactions on the thermodynamic properties of water. Following the results of recent studies, a short range system is constructed to the full pair potential u(1.2) in such a way that a perturbation expansion can be formulated in powers of the dipoleůdipole interaction only. Computations of low density properties and computer simulations performed for several densities on three subcritical and one supercritical isotherms show that the short range reference not only reproduces the structure but approximates also the internal energy and pressure of water surprisingly well. Differences in the internal energy between the full and short range water do not exceed 5% for all models used over the entire range of the thermodynamic conditions considered. Three realistic potential models of water, the non-polarizable ST2 and TIP4P models, and the polarizable TIP4P/P model, were used in computer simulations to study the effect of the range of intermolecular interactions on the thermodynamic properties of water. Following the results of recent studies, a short range system is constructed to the full pair potential u(1.2) in such a way that a perturbation expansion can be formulated in powers of the dipoleůdipole interaction only. Computations of low density properties and computer simulations performed for several densities on three subcritical and one supercritical isotherms show that the short range reference not only reproduces the structure but approximates also the internal energy and pressure of water surprisingly well. Differences in the internal energy between the full and short range water do not exceed 5% for all models used over the entire range of the thermodynamic conditions considered. (en)
Title	Effect of Short and Long Range Forces on the Thermodynamic Properties of Water. A Simple Short Range Reference System. Effect of Short and Long Range Forces on the Thermodynamic Properties of Water. A Simple Short Range Reference System. (en)
skos:prefLabel	Effect of Short and Long Range Forces on the Thermodynamic Properties of Water. A Simple Short Range Reference System. Effect of Short and Long Range Forces on the Thermodynamic Properties of Water. A Simple Short Range Reference System. (en)
skos:notation	RIV/67985858:_____/01:27013086!RIV/2003/AV0/A27003/N
http://linked.open.../vavai/riv/strany	291;300
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(IAA4072908), Z(AV0Z4072921)
http://linked.open...iv/cisloPeriodika	4
http://linked.open...vai/riv/dodaniDat	2003
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	678762
http://linked.open...ai/riv/idVysledku	RIV/67985858:_____/01:27013086
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	short and long range forces; thermodynamic properties; short range reference system (en)
http://linked.open.../riv/klicoveSlovo	thermodynamic properties short and long range forces short range reference system
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[971B06998EE4]
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	2 (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	2001
http://linked.open...v/svazekPeriodika	99
http://linked.open...iv/tvurceVysledku	Lísal, Martin Nezbeda, Ivo
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	10 (xsd:int)

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