Isobaric Vapor–Liquid Equilibrium Experiment and Thermodynamic Model Correlation of Methyl Butyrate + <i>n</i> -Propanol with Different Ionic Liquids at 101.3 kPa

The separation of methyl butyrate (MB) and n-propanol (NPA) is of significant industrial importance for resource recovery in transesterification processes, biofuel formulation, and solvent recycling. However, the formation of a minimum-boiling azeotrope at atmospheric pressure poses a challenge for conventional distillation. In this study, 1-ethyl-3-methylimidazolium acetate ([EMIM][OAC]) and 1,3-dimethylimidazolium dimethyl phosphate ([MMIM][DMP]) were selected as entrainers to facilitate the separation process. The vapor–liquid equilibrium (VLE) of the binary system MB (1) + NPA (2), as well as ternary systems MB (1) + NPA (2) + [EMIM][OAC] (3) and MB (1) + NPA (2) + [MMIM][DMP] (3), was investigated at atmospheric pressure. The experimental data were correlated by using the NRTL, Wilson, and UNIQUAC thermodynamic models. Among them, the NRTL model was found to be more suitable for the studied systems. The results show that both ionic liquids effectively eliminate the azeotropic point, with [EMIM][OAC] demonstrating a slightly superior separation performance compared to that of [MMIM][DMP]. The average relative deviations (ARDs) calculated by the NRTL model were 1.87% for the binary system, while those for the ternary systems were 3.16% and 3.65%, respectively, demonstrating that this model can satisfactorily describe the phase equilibrium behavior of the system.

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Journal
Journal of Chemical & Engineering Data
Published
2026-03-08
DOI
https://doi.org/10.1021/acs.jced.5c00766
Primary Topic
Ionic liquids properties and applications
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article
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article

Isobaric Vapor–Liquid Equilibrium Experiment and Thermodynamic Model Correlation of Methyl Butyrate + n -Propanol with Different Ionic Liquids at 101.3 kPa

Z. X. Li, Qunsheng Li, Hongkang Zhao, Shaolan Zhuang et al.
Journal of Chemical & Engineering Data
Ionic liquids properties and applications
article

Isobaric Vapor–Liquid Equilibrium Experiment and Thermodynamic Model Correlation of Methyl Butyrate + n -Propanol with Different Ionic Liquids at 101.3 kPa

Z. X. Li, Qunsheng Li, Hongkang Zhao, Shaolan Zhuang, Gaoyang Ma, Sentao Yuan
article en

Abstract

The separation of methyl butyrate (MB) and n-propanol (NPA) is of significant industrial importance for resource recovery in transesterification processes, biofuel formulation, and solvent recycling. However, the formation of a minimum-boiling azeotrope at atmospheric pressure poses a challenge for conventional distillation. In this study, 1-ethyl-3-methylimidazolium acetate ([EMIM][OAC]) and 1,3-dimethylimidazolium dimethyl phosphate ([MMIM][DMP]) were selected as entrainers to facilitate the separation process. The vapor–liquid equilibrium (VLE) of the binary system MB (1) + NPA (2), as well as ternary systems MB (1) + NPA (2) + [EMIM][OAC] (3) and MB (1) + NPA (2) + [MMIM][DMP] (3), was investigated at atmospheric pressure. The experimental data were correlated by using the NRTL, Wilson, and UNIQUAC thermodynamic models. Among them, the NRTL model was found to be more suitable for the studied systems. The results show that both ionic liquids effectively eliminate the azeotropic point, with [EMIM][OAC] demonstrating a slightly superior separation performance compared to that of [MMIM][DMP]. The average relative deviations (ARDs) calculated by the NRTL model were 1.87% for the binary system, while those for the ternary systems were 3.16% and 3.65%, respectively, demonstrating that this model can satisfactorily describe the phase equilibrium behavior of the system.

Journal of Chemical & Engineering Data
Ministry of Education Science and Technology (MW), State Key Laboratory of Chemical Engineering (CN), Beijing University of Chemical Technology (CN)
Decent work and economic growth
Openalex Percentile: Top 28%
Ionic liquids properties and applications
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Isobaric Vapor–Liquid Equilibrium Experiment and Thermodynamic Model Correlation of Methyl Butyrate + <i>n</i> -Propanol with Different Ionic Liquids at 101.3 kPa — Z. X. Li, Qunsheng Li, et al. · Journal of Chemical & Engineering Data (2026) | TGRS Research Map | TGRS