Vapor-Liquid Equilibrium Measurements and Modeling for Ternary System Water+Ethanol+1-Butyl-3-methylimidazolium Acetate

Abstract

Abstract: Vapor-liquid equilibrium(VLE) data were measured for ternary system water+ethanol+1-butyl-3methylimidazolium acetate([bmim][OAc]), in a relatively wide range of ionic liquid(IL) mass fractions up to 0.8.Six sets of complete T-x-y data were obtained, in which the mole fraction of ethanol on IL-free basis was fixed separately at 0.1, 0.2, 0.4, 0.6, 0.8, and approximate 0.98.The non-random-two-liquid(NRTL) and electrolyte non-random-two-liquid(eNRTL) equations were used for correlation, showing similar deviations.The ternary VLE was also modeled with the correlation from two data sets, with the mole fractions of ethanol on IL-free basis being 0.1 and approximate 0.98.The VLE data were also reproduced satisfactorily.With the eNRTL model, the root-mean-square deviation for temperature is 0.79 K and that for vapor-phase mole fraction is 0.0094.The calculations are in good agreement with experimental data.The effect of the IL on the VLE behavior of the volatile components is also illustrated.

Key words: vapor-liquid equilibrium, eNRTL equation, ionic liquid, ethanol, activity coefficient, relative volatility

摘要： Vapor-liquid equilibrium(VLE) data were measured for ternary system water+ethanol+1-butyl-3methylimidazolium acetate([bmim][OAc]), in a relatively wide range of ionic liquid(IL) mass fractions up to 0.8.Six sets of complete T-x-y data were obtained, in which the mole fraction of ethanol on IL-free basis was fixed separately at 0.1, 0.2, 0.4, 0.6, 0.8, and approximate 0.98.The non-random-two-liquid(NRTL) and electrolyte non-random-two-liquid(eNRTL) equations were used for correlation, showing similar deviations.The ternary VLE was also modeled with the correlation from two data sets, with the mole fractions of ethanol on IL-free basis being 0.1 and approximate 0.98.The VLE data were also reproduced satisfactorily.With the eNRTL model, the root-mean-square deviation for temperature is 0.79 K and that for vapor-phase mole fraction is 0.0094.The calculations are in good agreement with experimental data.The effect of the IL on the VLE behavior of the volatile components is also illustrated.

关键词: vapor-liquid equilibrium, eNRTL equation, ionic liquid, ethanol, activity coefficient, relative volatility

DENG Dongshun, WANG Rufa, ZHANG Lianzhong, GE Yun, JI Jianbing. Vapor-Liquid Equilibrium Measurements and Modeling for Ternary System Water+Ethanol+1-Butyl-3-methylimidazolium Acetate [J]. , 2011, 19(4): 703-708.

邓东顺, 汪如发, 章连众, 葛绮, 计建炳. Vapor-Liquid Equilibrium Measurements and Modeling for Ternary System Water+Ethanol+1-Butyl-3-methylimidazolium Acetate [J]. , 2011, 19(4): 703-708.

References

1 Seiler, M., Jork, C., Karvanou, A., Arlt, W., Hirsch, R., “Separation of azeotropic mixtures using hyperbranched polymers or ionic liquids”, AIChE J., 50 (10), 2439-2454 (2004).
2 Marsh, K.N., Boxall, J.A., Lichtenthaler, R., “Room temperature ionic liquids and their mixtures-a review”, Fluid Phase Equilib., 219 (1), 93-98 (2004).
3 Kato, R., Gmehling, J., “Systems with ionic liquids:Measurement of VLE and γ ∞ data and prediction of their thermodynamic behavior using original UNIFAC, mod. UNIFAC(Do) and COSMO-RS(Ol)”, J. Chem. Thermodyn., 37 (6), 603-619 (2005).
4 Lei, Z.G., Arlt, W., Wasserscheid, P., “Separation of 1-hexene and n-hexane with ionic liquids”, Fluid Phase Equilib., 241 (1-2), 290-299 (2006).
5 Wang, J.F., Li, C.X., Wang, Z.H., Li, Z.J., Jiang, Y.B., “Vapor pressure measurement for water, methanol, ethanol, and their binary mixtures in the presence of an ionic liquid 1-ethyl-3-methylimidazolium dimethylphosphate”, Fluid Phase Equilib., 255 (2), 186-192 (2007).
6 Orchilles, A.V., Miguel, P.J., Vercher, E., Martínez-Andreu, A., “Isobaric vapor-liquid equilibria for ethyl acetate+ethanol+1-ethyl-3-methylimidazolium trifluoromethanesulfonate at 100 kPa”, J. Chem. Eng. Data, 52 (6), 2325-2330 (2007).
7 Li, Q.S., Xing, F.Y., Lei, Z.G., Wang, B.H., Chang, Q.L., “Isobaric vapor-liquid equilibrium for isopropanol+water+1-ethyl-3methylimidazolium tetrafluoroborate”, J. Chem. Eng. Data, 53 (1), 275-279 (2008).
8 Westerholt, A., Liebert, V., Gmehling, J., “Influence of ionic liquids on the separation factor of three standard separation problems”, Fluid Phase Equilib., 280 (1), 56-60 (2009).
9 Zhang, L.Z., Ge, Y., Ji, D. X., Ji, J. B., “Experimental measurement and modeling of vapor-liquid equilibrium for ternary systems containing ionic liquids:A case study for the system water+ethanol+1-hexyl-3-methylimidazolium chloride”, J. Chem. Eng. Data, 54 (8), 2322-2329 (2009).
10 Geng, W., Zhang, L.Z., Deng, D.S., Ge, Y., Ji, J.B., “Experimental measurement and modeling of vapor-liquid equilibrium for the ternary system water+ethanol+1-butyl-3-methylimidazolium chloride”, J. Chem. Eng. Data, 55 (4), 1679-1683 (2010).
11 Renon, H., Prausnitz, J. M., “Local compositions in thermodynamic excess functions for liquid mixtures”, AIChE J., 14 (1), 135-144 (1968).
12 Ge, Y., Zhang, L.Z., Yuan, X.C., Geng, W., Ji, J.B., “Selection of ionic liquids as entrainers for separation of (water+ethanol)”, J. Chem. Thermodyn., 40 (8), 1248-1252 (2008).
13 Gordon, C.M., “Synthesis of ionic liquids”, In:Ionic Liquids in Synthesis, Wasserscheid, P., Welton, T., eds., Wiley-VCH, Weiheim, 7-21 (2003).
14 Zhang, L.Z., Ji, J.B., Deng, D.S., Shu, Z.J., Chen, X., “Method for manufacturing acetic acid type ionic liquids”, CN Pat., 200710070383.X (2007).
15 Zhang, L.Z., Deng, D.S., Han, J.Z., Ji, D.X., Ji, J.B., “Isobaric vaporliquid equilibria for water+2-propanol+1-butyl-3-methylimidazolium tetrafluoroborate”, J. Chem. Eng. Data, 52 (1), 199-205 (2007).
16 Zhang, L.Z., Han, J.Z., Deng, D.S., Ji, J.B., “Selection of ionic liquids as entrainers for separation of water and 2-propanol”, Fluid Phase Equilib., 255 (2), 179-185 (2007).
17 Zhang, L.Z., Yuan, X.C., Qiao, B.B., Qi, R.Z., Ji, J.B., “Isobaric vapor-liquid equilibria for water+ethanol+ethyl acetate+1-butyl-3-methylimidazolium acetate at low water mole fractions”, J. Chem. Eng. Data, 53 (7), 1595-1601 (2008).
18 Reid, R., Prausnitz, J.M., Poling, B., The Properties of Gases and Liquids, McGraw-Hill, New York, Appendix A (1987).
19 Mock, B., Evans, L.B., Chen, C.C., “Thermodynamic representation of phase equilibria of mixed-solvent electrolyte”, AIChE J., 32 (10), 1655-1664 (1986).
20 Vercher, E., Rojo, F.J., Martínez-Andreu, A., “Isobaric vapor-liquid equilibria for 1-propanol+water+calcium nitrate”, J. Chem. Eng. Data, 44 (6), 1216-1221 (1999).
21 Gmehling, J., Onken, U., Rearey-Nies, J.R., Vapor-Liquid Equilibrium Data Collection, DECHEMA, Frankfurt, Vol. I, Part Ib (1988).

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