Percolation line, response functions, and Voronoi polyhedra analysis in supercritical water
The problem of a physical relevance (meaning) of percolation in supercritical fluids is addressed considering a primitive model of water. Two different criteria, physical and configurational, are used for the cluster definition in Monte Carlo simulations over a range of pressures to determine the pe...
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| Datum: | 2012 |
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| Hauptverfasser: | , |
| Format: | Artikel |
| Sprache: | English |
| Veröffentlicht: |
Інститут фізики конденсованих систем НАН України
2012
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| Schriftenreihe: | Condensed Matter Physics |
| Online Zugang: | http://dspace.nbuv.gov.ua/handle/123456789/120274 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Zitieren: | Percolation line, response functions, and Voronoi polyhedra analysis in supercritical water / J. Škvor, I. Nezbeda // Condensed Matter Physics. — 2012. — Т. 15, № 2. — С. 23301:1-8 . — Бібліогр.: 28 назв. — англ. |
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Digital Library of Periodicals of National Academy of Sciences of Ukraine| Zusammenfassung: | The problem of a physical relevance (meaning) of percolation in supercritical fluids is addressed considering a primitive model of water. Two different criteria, physical and configurational, are used for the cluster definition in Monte Carlo simulations over 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 the findings 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 a detectable structural change is found for the coefficient of isothermal compressibility and Voronoi neighbors distribution skewness maximum. |
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