Surface tension of binary mixtures including polar components modeled by the density gradient theory combined with the PC-SAFT equation of state

0368150 - ÚT 2012 CZ eng O - Ostatní výsledky
Vinš, Václav - Hrubý, Jan - Planková, Barbora
Surface tension of binary mixtures including polar components modeled by the density gradient theory combined with the PC-SAFT equation of state.
2011
Grant CEP: GA ČR(CZ) GAP101/11/1593; GA AV ČR IAA200760905; GA ČR(CZ) GPP101/11/P046
Výzkumný záměr: CEZ:AV0Z20760514
Klíčová slova: density gradient theory * polar fluids * SAFT equation of state
Kód oboru RIV: BJ - Termodynamika
http://19ectp.cheng.auth.gr/index.php/component/abstract/index.php/component/abstract/index.php?option=com_abstract&view=program&task=article&tmpl=component&id=333

In this study, we use the Cahn-Hilliard density Gradient Theory (GT) for predicting the surface tension of various binary mixtures at relatively wide temperature ranges. The GT was combined with a physically based equation of state (EoS), namely the Perturbed-Chain (PC) Statistical Associating Fluid Theory (SAFT). In our study we focus on binary mixtures with polar components. The original PC-SAFT EoS was therefore extended with a polar term in the expression for the residual Helmholtz free energy in the manner proposed by Gross. The Perturbed-Chain Polar (PCP) SAFT EoS provides more accurate results for both the quadrupolar and dipolar substances than the original PC-SAFT EoS. Besides the planar phase interface used for the surface tension prediction, the GT combined with the PCP-SAFT EoS was applied also on the spherical phase interface. The GT allows solving the critical cluster size occurring during the nucleation of droplets. Application of the PCP-SAFT EoS provides significant improvement compared to classical cubic Peng-Robinson EoS used in the previous study.
Trvalý link: http://hdl.handle.net/11104/0202580