Surface Tension of Binary Mixtures Including Polar Components Modeled by the Density Gradient Theory Combined with the PC-SAFT Equation of State

0393234 - ÚT 2014 RIV US eng J - Journal Article
Vinš, Václav - Planková, Barbora - Hrubý, Jan
Surface Tension of Binary Mixtures Including Polar Components Modeled by the Density Gradient Theory Combined with the PC-SAFT Equation of State.
International Journal of Thermophysics. Roč. 34, č. 5 (2013), s. 792-812. ISSN 0195-928X. E-ISSN 1572-9567
R&D Projects: GA AV ČR IAA200760905; GA ČR(CZ) GPP101/11/P046; GA ČR GA101/09/1633
Institutional research plan: CEZ:AV0Z20760514
Institutional support: RVO:61388998
Keywords : chemical polarity * gradient theory * surface tension
Subject RIV: BJ - Thermodynamics
Impact factor: 0.623, year: 2013
http://www.springerlink.com/openurl.asp?genre=article&id=doi:10.1007/s10765-012-1207-z

In this study, the Cahn–Hilliard density gradient theory (GT) is used for predicting the surface tension of various binary mixtures and for testing the application of the GT for predictions of homogeneous nucleation. The GT was combined with two physically based equations of state (EoS), namely the perturbed-chain (PC) statistical associating fluid theory (SAFT) and its modification for polar substances PCP-SAFT. The GT applied to the planar phase interface was employed to predict the interfacial tension for various quadrupolar and dipolar substances and for binary mixtures including polar components. Besides the planar phase interface, the GT was also applied to the spherical phase interface simulating a critical cluster occurring in homogeneous nucleation of droplets. Application of the PCP-SAFT EoS provides a significant improvement compared to the PC-SAFT EoS, and it is clearly superior to the classical cubic Peng–Robinson EoS, which is still used for modeling droplet nucleation.
Permanent Link: http://hdl.handle.net/11104/0222072