Density gradient theory combined with the PC-SAFT equation of state used for modeling the surface tension of associating systems

0421292 - ÚT 2014 RIV CZ eng C - Konferenční příspěvek (zahraniční konf.)
Vinš, Václav - Planková, Barbora - Hrubý, Jan - Celný, D.
Density gradient theory combined with the PC-SAFT equation of state used for modeling the surface tension of associating systems.
Experimental Fluid Mechanics 2013. Liberec: Technical University of Liberec, 2013 - (Vít, T.; Dančová, P.; Novotný, P.), s. 767-772. ISBN 978-80-260-5375-0.
[Experimental Fluid Mechanics 2013. Kutná hora (CZ), 19.11.2013-22.11.2013]
Grant CEP: GA ČR(CZ) GPP101/11/P046; GA AV ČR IAA200760905
Grant ostatní: Rada Programu interní podpory projektů mezinárodní spolupráce AV ČR(CZ) M100761201
Institucionální podpora: RVO:61388998
Klíčová slova: surface tension * gradient theory * association
Kód oboru RIV: JE - Nejaderná energetika, spotřeba a využití energie

The density gradient theory (GT) combined with a SAFT-type (Statistical Associating Fluid Theory) equation of state has been used for modeling the surface tension of associating fluids represented by a series of six alkanols ranging from methanol to 1-pentanol. The effect of nonzero dipole moment of the selected alkanols on the predicted surface tension was investigated in this study. Results of the GT + non-polar Perturbed Chain (PC) SAFT equation of state were compared to predictions of GT combined with the PC-polar-SAFT, i.e. PCP-SAFT, equation. Both GT + PC-SAFT and GT + PCP-SAFT give reasonable prediction of the surface tension for pure alkanols. Results of both models are comparable as no significant difference in the modeled saturation properties and in the predicted surface tension using GT was found. Consideration of dipolar molecules of selected alkanols using PCP-SAFT had only minor effect on the predicted properties compared to the non-polar PC-SAFT model.
Trvalý link: http://hdl.handle.net/11104/0228815