About: Toward a Statistical Mechanical Theory for Water: Analytical Theory for a Short-Ranged Reference System

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	We focus on the short-range reference system for which an analytic expression for the Helmholtz free energy is derived. It is found that the model reference system exhibits, in addition to a faithful representation of the structure of water, the same features that are characteristic for real water, namely, (i) the temperature of the density maximum and its pressure dependence, including the inflection point at high pressures and (ii) the temperature minima of the constant pressure heat capacity and the coefficient of isothermal compressibility. We focus on the short-range reference system for which an analytic expression for the Helmholtz free energy is derived. It is found that the model reference system exhibits, in addition to a faithful representation of the structure of water, the same features that are characteristic for real water, namely, (i) the temperature of the density maximum and its pressure dependence, including the inflection point at high pressures and (ii) the temperature minima of the constant pressure heat capacity and the coefficient of isothermal compressibility. (en) Vycházejíce z realistického Hamiltonianu a nejnovějších poznatků o vlivu dosahu interakcí na vlastnosti kapalin, byla implementována poruchové teorie pro TIP4P model vody. Je ukázáno, že referenční systém reprodukuje všechny známé anomalie vody: (i) teplotu hustotního maxima a její závislost na tlaku a (ii) minima tepelné kapacity a izotermní kompresibility. (cs)
Title	Toward a Statistical Mechanical Theory for Water: Analytical Theory for a Short-Ranged Reference System Ke statisticko - mechanické teorii vody : Analytická teorie krátkodosahového referenčního systému (cs) Toward a Statistical Mechanical Theory for Water: Analytical Theory for a Short-Ranged Reference System (en)
skos:prefLabel	Toward a Statistical Mechanical Theory for Water: Analytical Theory for a Short-Ranged Reference System Ke statisticko - mechanické teorii vody : Analytická teorie krátkodosahového referenčního systému (cs) Toward a Statistical Mechanical Theory for Water: Analytical Theory for a Short-Ranged Reference System (en)
skos:notation	RIV/67985858:_____/07:00091481!RIV08-AV0-67985858
http://linked.open.../vavai/riv/strany	124508;124514
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA101/05/2214), P(IAA400720710), Z(AV0Z40720504)
http://linked.open...iv/cisloPeriodika	-
http://linked.open...vai/riv/dodaniDat	2008
http://linked.open...aciTvurceVysledku	Nezbeda, Ivo Jirsák, Jan
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	455379
http://linked.open...ai/riv/idVysledku	RIV/67985858:_____/07:00091481
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	real water; hemholtz free energy; associating fluids (en)
http://linked.open.../riv/klicoveSlovo	associating fluids hemholtz free energy real water
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[37CA6BABB350]
http://linked.open...i/riv/nazevZdroje	Journal of Chemical 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	Determination of the phase and state behaviour of fluids and fluid mixtures for processes at superambient conditions: molecular-based theory and experiment Metastable water and steam
http://linked.open...UplatneniVysledku	2007
http://linked.open...v/svazekPeriodika	127
http://linked.open...iv/tvurceVysledku	Nezbeda, Ivo Jirsák, Jan
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	0021-9606
number of pages	7 (xsd:int)

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