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

SYSNO ASEP	0393234
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Surface Tension of Binary Mixtures Including Polar Components Modeled by the Density Gradient Theory Combined with the PC-SAFT Equation of State
Author(s)	Vinš, Václav (UT-L)_{RID, ORCID} Planková, Barbora (UT-L)_RID Hrubý, Jan (UT-L)_{RID, ORCID}
Source Title	International Journal of Thermophysics - ISSN 0195-928X Roč. 34, č. 5 (2013), s. 792-812
Number of pages	21 s.
Publication form	Print - P
Language	eng - English
Country	US - United States
Keywords	chemical polarity ; gradient theory ; surface tension
Subject RIV	BJ - Thermodynamics
R&D Projects	IAA200760905 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR)
	GPP101/11/P046 GA ČR - Czech Science Foundation (CSF)
	GA101/09/1633 GA ČR - Czech Science Foundation (CSF)
Institutional support	UT-L - RVO:61388998
CEZ	AV0Z20760514 - UT-L (2005-2011)
UT WOS	000320806100004
EID SCOPUS	84879740760
DOI	10.1007/s10765-012-1207-z
Annotation	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.
Workplace	Institute of Thermomechanics
Contact	Marie Kajprová, kajprova@it.cas.cz, Tel.: 266 053 154 ; Jana Lahovská, jaja@it.cas.cz, Tel.: 266 053 823
Year of Publishing	2014

Number of the records: 1