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Penetrable-Square-Well Fluids: Analytical Study and Monte Carlo Simulations
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SYSNO ASEP 0355070 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Penetrable-Square-Well Fluids: Analytical Study and Monte Carlo Simulations Author(s) Fantoni, R. (IT)
Giacometti, A. (IT)
Malijevský, Alexandr (UCHP-M) RID, ORCID, SAI
Santos, A. (ES)Source Title Journal of Chemical Physics. - : AIP Publishing - ISSN 0021-9606
Roč. 131, č. 12 (2009), , 124106-1-14Number of pages 14 s. Language eng - English Country US - United States Keywords fisher-widom line ; phase-transition ; hard-spheres Subject RIV CF - Physical ; Theoretical Chemistry CEZ AV0Z40720504 - UCHP-M (2005-2011) UT WOS 000270380300010 DOI 10.1063/1.3236515 Annotation 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. Workplace Institute of Chemical Process Fundamentals Contact Eva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227 Year of Publishing 2011
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