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On the Role of the Reference System in Perturbation Theory: An Augmented van der Waals Theory of Simple Fluids
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SYSNO ASEP 0324980 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title On the Role of the Reference System in Perturbation Theory: An Augmented van der Waals Theory of Simple Fluids Title Úloha referenčního systému v poruchové teorii: Zobecněná van der Waalsova rovnice jednoduchých kapalin Author(s) Melnyk, R. (UA)
Nezbeda, Ivo (UCHP-M) RID, ORCID, SAI
Henderson, D. (US)
Trokhymchuk, A. (UA)Source Title Fluid Phase Equilibria. - : Elsevier - ISSN 0378-3812
Roč. 279, č. 1 (2009), s. 1-10Number of pages 10 s. Language eng - English Country NL - Netherlands Keywords perturbation theory ; reference system ; simple fluids Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects IAA400720710 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) CEZ AV0Z40720504 - UCHP-M (2005-2011) UT WOS 000265373400001 DOI 10.1016/j.fluid.2008.12.004 Annotation In this study, we show that the inclusion of a short-range part of the total attractive interaction into a reference system allows a natural extension of the traditional first-order perturbation theory of simple fluids to practically all thermodynamic states. This theory is applied to the thermodynamic functions and the liquid-vapor coexistence curve of the Lennard-Jones-like medium range Yukawa fluid and to the Sutherland fluid. Comparison with computer simulation data and the second-order Barker-Henderson perturbation theory is discussed. Workplace Institute of Chemical Process Fundamentals Contact Eva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227 Year of Publishing 2009
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