Selection of entrainers in the 1-hexene/n-hexane system with a limited solubility |
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Authors: | Zhigang Lei Wolfgang Arlt Peter Wasserscheid |
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Institution: | 1. State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Box 35, Beijing, 100029, China;2. Chair of Separation Science and Technology, Universität Erlangen-Nürnberg, Egerlandstraße 3, 91058 Erlangen, Germany;3. Chair of Reaction Engineering, Universität Erlangen-Nürnberg, Egerlandstraße 3, 91058 Erlangen, Germany |
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Abstract: | Vapor-liquid equilibria (VLE) have been measured for five 1-hexene/n-hexane/ionic liquid systems and 1-hexene/n-hexane/NMP (N-methyl-2-pyrrolidone) system with a headspace-gas chromatography (HSGC) apparatus at 333.15 K. The ionic liquids investigated were 1,3-dimethylimidazolium tetrafluoroborate C2MIM]+BF4]−, 1-butyl-3-methylimidazolium tetrafluoroborate C4MIM]+BF4]−, 1-methyl-3-octylimidazolium tetrafluoroborate C8MIM]+BF4]−, 1,3-dimethylimidazolium dicyanamide C2MIM]+N(CN)2]− and 1-octylquinolinium bis(trifluoromethylsulfonyl)amide C8Chin]+BTA]−. It was found that at low feeding concentration of 1-hexene and n-hexane, the separation ability of ionic liquids is in the order of C2MIM]+BF4]− > C4MIM]+BF4]− ≈ C2MIM]+N(CN)2]− > C8MIM]+BF4]− > C8Chin]+BTA]−, which is consistent with the priori prediction of the COSMO-RS (conductor-like screening model for real solvents) model. But at high feeding concentration, the separation ability of ionic liquids is in the order of C2MIM]+BF4]− < C4MIM]+BF4]− ≈ C2MIM]+N(CN)2]− < C8MIM]+BF4]− < C8Chin]+BTA]−. The liquid demixing effect should be taken into account. The activity coefficients of 1-hexene and n-hexane at infinite dilution calculated with the COSMO-RS model were correlated using the NRTL, Wilson and UNIQUAC model. In this work the predictive results from the COSMO-RS model and UNIFAC model for the 1-hexene/n-hexane and 1-hexene/n-hexane/NMP systems were compared. The UNIFAC model is one of the most important academic contributions by Prof. Jürgen Gmehling. |
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Keywords: | Vapor-liquid equilibria (VLE) 1-Hexene/n-hexane Ionic liquids COSMO-RS model UNIFAC model Selectivity |
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