Percolation Line, Response Functions, and Voronoi Polyhedra Analysis in Supercritical Water
Result description
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.
Keywords
The result's identifiers
Result code in IS VaVaI
Alternative codes found
RIV/44555601:13440/12:43884018
Result on the web
DOI - Digital Object Identifier
Alternative languages
Result language
angličtina
Original language name
Percolation Line, Response Functions, and Voronoi Polyhedra Analysis in Supercritical Water
Original language description
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.
Czech name
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Czech description
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Classification
Type
Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BJ - Thermodynamics
OECD FORD branch
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Result continuities
Project
IAA200760905: Thermophysical properties of water in unexplored, technologically significant regions
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2012
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Condensed Matter Physics
ISSN
1607-324X
e-ISSN
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Volume of the periodical
15
Issue of the periodical within the volume
2
Country of publishing house
UA - UKRAINE
Number of pages
8
Pages from-to
23301
UT code for WoS article
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EID of the result in the Scopus database
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Basic information
Result type
Jx - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP
BJ - Thermodynamics
Year of implementation
2012