Percolation Line, Response Functions, and Voronoi Polyhedra Analysis in Supercritical Water

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F12%3A00386506" target="_blank" >RIV/67985858:_____/12:00386506 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/44555601:13440/12:43884018

Výsledek na webu

<a href="http://dx.doi.org/10.5488/CMP.15.23301" target="_blank" >http://dx.doi.org/10.5488/CMP.15.23301</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.5488/CMP.15.23301" target="_blank" >10.5488/CMP.15.23301</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Percolation Line, Response Functions, and Voronoi Polyhedra Analysis in Supercritical Water

Popis výsledku v původním jazyce

The problem of a physical relevance (meaning) of percolation in supercritical fluids is addressed considering a primitivemodel of water. Two different criteria, physical and configurational, are used for the cluster definition in Monte Carlo simulationsover a range of pressures to determine the percolation line and skewness, and a theoretical analytic equation of state is used to evaluate response functions. It is found that both criteria yield practically the same percolation line. However, unlike thefindings for simple fluids, the loci of the response function extrema exhibit density/pressure dependence quite different from that of the percolation line. The only potential coincidence between the loci of the extrema of a thermodynamic property and adetectable structural change is found for the coefficient of isothermal compressibility and Voronoi neighbors distribution skewness maximum.

Název v anglickém jazyce

Percolation Line, Response Functions, and Voronoi Polyhedra Analysis in Supercritical Water

Popis výsledku anglicky

The problem of a physical relevance (meaning) of percolation in supercritical fluids is addressed considering a primitivemodel of water. Two different criteria, physical and configurational, are used for the cluster definition in Monte Carlo simulationsover a range of pressures to determine the percolation line and skewness, and a theoretical analytic equation of state is used to evaluate response functions. It is found that both criteria yield practically the same percolation line. However, unlike thefindings for simple fluids, the loci of the response function extrema exhibit density/pressure dependence quite different from that of the percolation line. The only potential coincidence between the loci of the extrema of a thermodynamic property and adetectable structural change is found for the coefficient of isothermal compressibility and Voronoi neighbors distribution skewness maximum.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BJ - Termodynamika

OECD FORD obor

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Projekt

<a href="/cs/project/IAA200760905" target="_blank" >IAA200760905: Termofyzikální vlastnosti vody v neprobádaných technicky významných oblastech</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2012

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Condensed Matter Physics

ISSN

1607-324X

e-ISSN

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Svazek periodika

15

Číslo periodika v rámci svazku

2

Stát vydavatele periodika

UA - Ukrajina

Počet stran výsledku

8

Strana od-do

23301

Kód UT WoS článku

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EID výsledku v databázi Scopus

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