Group contribution method: Surface tension of linear and branched alkanes

A group contribution method for predicting the surface tension of alkanes at various temperatures, based on Guggenheim-Katayama-van der Waals equation, has been developed. The constants of this equation evaluated from TRC Tables data for surface tension were used as a basis to determination contribu...

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Veröffentlicht in:Fluid phase equilibria 2016-12, Vol.429, p.166-176
Hauptverfasser: Randova, Alena, Bartovska, Lidmila
Format: Artikel
Sprache:eng
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Zusammenfassung:A group contribution method for predicting the surface tension of alkanes at various temperatures, based on Guggenheim-Katayama-van der Waals equation, has been developed. The constants of this equation evaluated from TRC Tables data for surface tension were used as a basis to determination contributions of structural units. With knowledge of critical temperature of the liquid alkane it is possible to predict value of its surface tension at various temperatures (from 273.15 to 333.15 K, or to temperature below the normal boiling point). The data for 50 compounds were processed: 30 of them to determine contributions of structural units (main set), and remaining 20 compounds (denoted as test set) to verify the proposed method. On the whole, 394 data points were used, 235 in the main set and 159 in the test set. [Display omitted] •394 values of surface tension of alkanes were processed.•Surface tension temperature dependence: Guggenheim-Katayama-van der Waals equation.•Only six structural units were used in group contribution method.
ISSN:0378-3812
1879-0224
DOI:10.1016/j.fluid.2016.09.007