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

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

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 o...

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Main Authors: Vinš Václav, Planková Barbora, Hrubý Jan, Celný David
Format: Article
Language:English
Published: EDP Sciences 2014-03-01
Series:EPJ Web of Conferences
Online Access:http://dx.doi.org/10.1051/epjconf/20146702129
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spelling doaj-44b46bc6a9dc498ebae10bb0a438c6d32021-08-02T01:41:46ZengEDP SciencesEPJ Web of Conferences2100-014X2014-03-01670212910.1051/epjconf/20146702129epjconf_efm-13_02129Density gradient theory combined with the PC-SAFT equation of state used for modeling the surface tension of associating systemsVinš Václav0Planková Barbora1Hrubý Jan2Celný David3Institute of Thermomechanics AS CR, v. v. i.Institute of Thermomechanics AS CR, v. v. i.Institute of Thermomechanics AS CR, v. v. i.Institute of Thermomechanics AS CR, v. v. i. 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. http://dx.doi.org/10.1051/epjconf/20146702129
collection DOAJ
language English
format Article
sources DOAJ
author Vinš Václav
Planková Barbora
Hrubý Jan
Celný David
spellingShingle Vinš Václav
Planková Barbora
Hrubý Jan
Celný David
Density gradient theory combined with the PC-SAFT equation of state used for modeling the surface tension of associating systems
EPJ Web of Conferences
author_facet Vinš Václav
Planková Barbora
Hrubý Jan
Celný David
author_sort Vinš Václav
title Density gradient theory combined with the PC-SAFT equation of state used for modeling the surface tension of associating systems
title_short Density gradient theory combined with the PC-SAFT equation of state used for modeling the surface tension of associating systems
title_full Density gradient theory combined with the PC-SAFT equation of state used for modeling the surface tension of associating systems
title_fullStr Density gradient theory combined with the PC-SAFT equation of state used for modeling the surface tension of associating systems
title_full_unstemmed Density gradient theory combined with the PC-SAFT equation of state used for modeling the surface tension of associating systems
title_sort density gradient theory combined with the pc-saft equation of state used for modeling the surface tension of associating systems
publisher EDP Sciences
series EPJ Web of Conferences
issn 2100-014X
publishDate 2014-03-01
description 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.
url http://dx.doi.org/10.1051/epjconf/20146702129
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