Percolation Threshold Parameters of Fluids

0325166 - ÚCHP 2009 RIV US eng J - Journal Article
Škvor, J. - Nezbeda, Ivo
Percolation Threshold Parameters of Fluids.
[Parametry meze perkolace tekutin.]
Physical Review E. Roč. 79, č. 4 (2009), 041141-041147. ISSN 1539-3755
Institutional research plan: CEZ:AV0Z40720504
Keywords : percolation threshold * universality * infinite cluster
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.400, year: 2009

Extensive Monte Carlo simulations on three qualitatively different model supercritical fluids (square-well fluid, Lennard-Jonesium, and primitive water) have been performed to examine percolation threshold parameters for continuum (correlated) models and their relation to general results valid for random lattice models; random-site percolation simple cubic lattice has therefore been considered as well. Two different bond criteria, the configurational and self-bound ones, defining a cluster have been used. In addition to the percolation threshold occupation probability and the percolation threshold fluid density, the correlation length exponent and the wrapping probability at the percolation threshold, have also been evaluated. It is found that parameters and exhibit not only strong temperature dependence but also, unlike the case of lattice systems, dependence on the nature of the system considered and the employed definition of the cluster.

Metodou Monte Carlo byly provedeny simulace na třech kvalitativně odlišných systémech a určena mez perkolace za použitý dvou různých kritérií vazeb. Bylo shledáno, že parametry meze perkolace vykazují nejen silnou teplotní závislost,ale závisí rovněž na charakteru studovaného systému a použité definici klastru.
Permanent Link: http://hdl.handle.net/11104/0172678