Isobaric VLE of the mixture {1,8-cineole+ethanol}. EOS analysis and COSMO-RS modeling

[Display omitted] •Isobaric VLE for mixture {1,8-cineole+ethanol} at (33.33, 66.66 and 101.33)kPa.•VLE data were correlated by means of Wilson, NRTL and UNIQUAC models.•The mixture shows positive deviations from Raoult law.•Peng–Robinson and SAFT EOS and COSMO-RS model predict quite well dew points....

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Veröffentlicht in:The Journal of chemical thermodynamics 2016-06, Vol.97, p.88-92
Hauptverfasser: Torcal, Marcos, Langa, Elisa, Pardo, Juan I., Mainar, Ana M., Urieta, José S.
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Sprache:eng
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Zusammenfassung:[Display omitted] •Isobaric VLE for mixture {1,8-cineole+ethanol} at (33.33, 66.66 and 101.33)kPa.•VLE data were correlated by means of Wilson, NRTL and UNIQUAC models.•The mixture shows positive deviations from Raoult law.•Peng–Robinson and SAFT EOS and COSMO-RS model predict quite well dew points.•Predictions of COSMO-RS model are better than those of Peng–Robinson and SAFT EOS. The isobaric (vapor+liquid) equilibrium (VLE) at pressures of (33.33, 66.66 and 101.33)kPa is reported for the mixture {1,8-cineole (1,3,3-trimethyl-2-oxabicycle[2,2,2]octane)+ethanol} in the entire composition range. VLE data were correlated by means of three activity coefficient models (Wilson, NRTL and UNIQUAC) and they were found to be thermodynamically consistent. The mixture exhibits positive deviations from Raoult’s law. Peng–Robinson and SAFT equations of state (EOS) were used first to predict (interaction parameter, kij, equal to zero), then to correlate (by adjusting the interaction parameter) the VLE. COSMO-RS model has been also used to predict VLE of the mixture. Both EOS and COSMO-RS model show deviations in the prediction of bubble points but reproduce quite well the dew points. COSMO-RS provides the best predictions.
ISSN:0021-9614
1096-3626
DOI:10.1016/j.jct.2016.01.008