Penetrable-Square-Well Fluids: Analytical Study and Monte Carlo Simulations

0355070 - ÚCHP 2011 RIV US eng J - Journal Article
Fantoni, R. - Giacometti, A. - Malijevský, Alexandr - Santos, A.
Penetrable-Square-Well Fluids: Analytical Study and Monte Carlo Simulations.
Journal of Chemical Physics. Roč. 131, č. 12 (2009), , 124106-1-14. ISSN 0021-9606. E-ISSN 1089-7690
Grant - others:MIUR(IT) PRIN-COFIN 2007B57EAB; MEC(ES) FIS2007-60977
Institutional research plan: CEZ:AV0Z40720504
Keywords : fisher-widom line * phase-transition * hard-spheres
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.093, year: 2009

We study structural and thermophysical properties of a one-dimensional classical fluid made of penetrable spheres interacting via an attractive square-well potential. Building upon previous exact analytical work in the low-density limit,we propose an approximate theory valid at any density and in the low-penetrable regime. By comparison with specialized Monte Carlo simulations and integral equation theories, we assess the regime of validity of the theory. We investigate the degree of inconsistency among the various routes to thermodynamics and explore the possibility of a fluid-fluid transition. Finally we locate the dependence of the Fisher-Widom line on the degree of penetrability.
Permanent Link: http://hdl.handle.net/11104/0193919