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Percolation Line and Response Functions in Simple Supercritical Fluids
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SYSNO ASEP 0368374 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Percolation Line and Response Functions in Simple Supercritical Fluids Author(s) Škvor, J. (CZ)
Nezbeda, Ivo (UCHP-M) RID, ORCID, SAISource Title Molecular Physics. - : Taylor & Francis - ISSN 0026-8976
Roč. 190, 1 Sp.I:Sl (2011), s. 133-139Number of pages 7 s. Action Liblice Conference on the Statistical Mechanics of Liquids /8./ Event date 13.06.2010-18.06.2010 VEvent location Brno Country CZ - Czech Republic Event type WRD Language eng - English Country GB - United Kingdom Keywords primitive models ; clusters ; voronoi polyhedra Subject RIV CF - Physical ; Theoretical Chemistry CEZ AV0Z40720504 - UCHP-M (2005-2011) UT WOS 000286924300015 DOI 10.1080/00268976.2010.522209 Annotation The question of a physical relevance (meaning) of the percolation line in simple supercritical fluids has been addressed using both extensive Monte Carlo simulations and accurate analytic equations of state. Thermodynamic and structural properties of two qualitatively different fluids, the Lennard-Jones (continuous model) and square-well fluid (stepwise model), have been studied in the vicinity of their percolation lines over a range of pressures in order to find potential changes which may take place when an infinite cluster is detected in the system. Two different criteria for the occurrence of an infinite cluster, physical and configurational criteria, have also been used to assess their effect on the observed properties. It is found that the lines of extremes of various response functions run close to the percolation lines. Workplace Institute of Chemical Process Fundamentals Contact Eva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227 Year of Publishing 2012
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