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Fluids of Pseudo-Hard Bodies: From Simulations to Equations of State

SYSNO ASEP	0324982
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Fluids of Pseudo-Hard Bodies: From Simulations to Equations of State
Title	Tekutiny pseudotuhých těles: Od simulací ke stavové rovnici
Author(s)	Rouha, M. (CZ) Nezbeda, Ivo (UCHP-M)_{RID, ORCID, SAI}
Source Title	Fluid Phase Equilibria. - : Elsevier - ISSN 0378-3812 Roč. 278, 1-2 (2009), s. 15-19
Number of pages	5 s.
Language	eng - English
Country	NL - Netherlands
Keywords	pseudo-hard bodies ; virial coefficients ; perturbed virial expansion
Subject RIV	CF - Physical ; Theoretical Chemistry
R&D Projects	IAA400720710 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
	IAA400720802 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
CEZ	AV0Z40720504 - UCHP-M (2005-2011)
UT WOS	000265175900003
DOI	10.1016/j.fluid.2008.11.020
Annotation	Thermodynamic properties of a number of fluids of pseudo-hard bodies (PHB), representing non-additive excluded volume effects in selected polar and associating real fluids, have been studied by Monte Carlo (MC) simulations. Virial coefficients up to the fourth one have been determined and used in various semi-theoretical equations of state. It is shown that the perturbed virial expansion (PVE) about an appropriately chosen effective hard sphere (HS) reference is able to describe the thermodynamic behavior of the considered fluids quite accurately.
Workplace	Institute of Chemical Process Fundamentals
Contact	Eva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227
Year of Publishing	2009

Number of the records: 1