Density Functional Theory for LiquidLiquid Interfaces of Mixtures Using the Perturbed-Chain Polar Statistical Associating Fluid Theory Equation of State
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388998%3A_____%2F15%3A00443753" target="_blank" >RIV/61388998:_____/15:00443753 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1021/acs.iecr.5b00445" target="_blank" >http://dx.doi.org/10.1021/acs.iecr.5b00445</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.iecr.5b00445" target="_blank" >10.1021/acs.iecr.5b00445</a>
Alternative languages
Result language
angličtina
Original language name
Density Functional Theory for LiquidLiquid Interfaces of Mixtures Using the Perturbed-Chain Polar Statistical Associating Fluid Theory Equation of State
Original language description
The interfacial tensions of liquid?liquid mixtures are rarely measured, despite their importance, for example, in extraction processes. In this work, we applied classical density functional theory to liquid?liquid interfaces of binary mixtures and evaluated the predicted interfacial tensions. The functional was based on the statistical associating fluid theory with a polar perturbed-chain contribution to the dispersive term (PCP-SAFT). To ensure a good representation of the liquid?liquid equilibrium ofthe bulk phases, we applied two binary interaction parameters. Interfacial tensions were predicted without adjusting any model parameter to interfacial properties. For several methanol and ethylene glycol systems, we found good agreement with existing experimental data on interfacial tensions. Limitations in the accuracy of the Helmholtz energy functional were seen for aqueous liquid mixtures, for which phase equilibria were not modeled with sufficient agreement to experimental data, pre
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BJ - Thermodynamics
OECD FORD branch
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Result continuities
Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Industrial and Engineering Chemistry Research
ISSN
0888-5885
e-ISSN
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Volume of the periodical
54
Issue of the periodical within the volume
16
Country of publishing house
US - UNITED STATES
Number of pages
10
Pages from-to
4633-4642
UT code for WoS article
000353931200065
EID of the result in the Scopus database
2-s2.0-84928778822