0104859 - UCHP-M 20040113 RIV US eng J - Článek v odborném periodiku
Lísal, Martin - Aim, Karel - Mecke, M. - Fischer, J.
Revised Equation of State for Two-Center Lennard-Jones Fluids.
[Revidovaná stavová rovnice pro dvou centrovou Lennardovu Jonesovu tekutinu.]
International Journal of Thermophysics. Roč. 25, č. 1 (2004), s. 159-173. ISSN 0195-928X. E-ISSN 1572-9567
Grant CEP: GA ČR GA203/02/0805; GA AV ČR IAA4072301
Výzkumný záměr: CEZ:AV0Z4072921
Klíčová slova: equation of state * two-center Lennard-Jones fluid * molecular simulation
Kód oboru RIV: CF - Fyzikální chemie a teoretická chemie
Impakt faktor: 0.846, rok: 2004

The equation of state is written in the form of a generalized augmented van der Waals equation for the Helmholtz energy, constituted of two terms accounting for the hard-body interaction and attractive dispersion forces, respectively. The revised EOS is constructed on the basis of previously published simulation data for 2CLJ fluids with reduced elongations L = 0.0, 0.22, 0.3292, 0.505, and 0.67 and of results from new extensive simulations for two-center Lennard-Jones fluids with L = 0.8 and 1.0. The revised equation of state provides very good description of the fluid state behaviour over a wide range of temperatures and pressures as well as of the vapor-liquid equilibrium phase behaviour for the two-center Lennard-Jones fluids with L ranging from 0.0 to 1.0.

Stavová rovnice van der Waalsova typu je formulována pro dvou centrovou Lennardovu Jonesovu tekutinu. Její parametery jsou získány ze simulací v celém rozsahu prodloužení. Revidovaná stavová rovnice velice dobře popisuje chování tekutiny jak v jednofázové oblasti tak její rovnováhu kapalina-pára.
Trvalý link: http://hdl.handle.net/11104/0012121