Isobaric vapor–liquid equilibrium of acetic acid+N,N-dimethylacetamide+1-butyl-3-methylimidazolium Bis[(trifluoromethyl)sulfonyl]-imide

Lin, Ruirong; Cui, Xianbao; Yu, Xufeng; Zhang, Ying; Feng, Tingting; Li, Xiaobing; Xu, Li; Jie, Huimin

doi:10.1016/j.fluid.2015.11.007

Cited by 18 publications

(6 citation statements)

References 43 publications

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“…Presently, some VLE data on these associating systems were dealt with the regular strategies of correlation and prediction in the previous literature. − The associating systems were also implemented to study the thermodynamic properties in aqueous salt solution by many researchers. − The ethanoic acid associating systems were computed in the systems susceptible to chemical reaction under atmospheric pressure or isothermal condition. − …”

Section: Introductionmentioning

confidence: 99%

Combined Experimental and Theoretical Studies on the Prediction of the Isobaric Vapor–Liquid Association Phenomena for Binary and Ternary Mixtures of Water, Ethanoic Acid, and Propanoic Acid

Zhang

Kwon

et al. 2020

Ind. Eng. Chem. Res.

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It is a considerable challenge for the phase behavior of chemical separation industry to correlate and predict the vapor–liquid equilibria (VLE) data of the binary and ternary systems containing associating components because it is not known how these forms exist in the experimental condition, such as homogeneous or heterogeneous dimers or trimers, even polymers, and so on. Herein, VLE data for the associating ternary system, water + ethanoic acid + propanoic acid, and the three-constituent binary systems have been measured by different liquid-phase compositions using a Fischer ebulliometer at 101.33 kPa. The structures and distribution of various clusters in water, ethanoic acid, and propanoic acid systems were fully optimized at the B3LYP/6-31+G(d) level of theory using Gaussian 09. Then, we developed a strategy that could calculate the liquid activity coefficients by considering the distribution of the associating components in the strong association systems. This method is called the discrete clusters (DC) model, and, for comparison, Wilson, NRTL, and UNIQUAC models were employed to correlate the VLE data for the three-constituent binary systems. Also, the VLE data of the ternary system were estimated from the DC, Wilson, NRTL, and UNIQUAC models without any additional adjustment. Our DC model, which considered the explicit number of various clusters, showed better agreement and a smaller deviation from the experimental data. These VLE data derived from the DC model can be used for the design and simulation of the distillation behavior of the binary and ternary association systems.

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Section: Introductionmentioning

confidence: 99%

Combined Experimental and Theoretical Studies on the Prediction of the Isobaric Vapor–Liquid Association Phenomena for Binary and Ternary Mixtures of Water, Ethanoic Acid, and Propanoic Acid

Zhang

Kwon

et al. 2020

Ind. Eng. Chem. Res.

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“…The VLE data for both binary and ternary system were measured in an all glass dynamics recirculating still, and the details of the apparatus and measurement procedure were described in our previous publications. − The pressure of the still was maintained at 101.3 kPa by a circulating water vacuum pump (Yu Hua SHZ-D(III), provided by Yu Hua Instrument, China) and measured by a manometer with standard uncertainty 0.1 kPa. The temperature was determined with a standard and calibrated thermometer with standard uncertainty 0.05 K. The vapor liquid equilibrium was usually reached when the temperature fluctuation was within 0.1 K in about 30 min.…”

Section: Methodsmentioning

confidence: 99%

Isobaric Vapor–Liquid Equilibrium for the Binary and Ternary System with Isobutyl Alcohol, Isobutyl Acetate and Dimethyl Sulfoxide at 101.3 kPa

et al. 2017

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The isobaric vapor−liquid equilibrium (VLE) data for the binary systems isobutyl alcohol + dimethyl sulfoxide (DMSO), isobutyl acetate + DMSO, and ternary system isobutyl alcohol + isobutyl acetate + DMSO were measured at 101.3 kPa. All of the binary VLE data passed Wisniak's modifed Herington area test and Wisniak point and area test. Ternary VLE data passed Wisniak point test. The VLE data of binary systems were correlated with NRTL, UNIQUAC, and Wilson models. The ternary VLE behavior were successfully predicted by the correlated binary parameters. The VLE data for the binary and ternary systems predicted by the correlated interaction parameters were in good agreement with all the experimental data. The relative volatility of isobutyl acetate to isobutyl alcohol can be greatly increased by DMSO and the azeotropic point of isobutyl acetate and isobutyl alcohol will disappear if the mole fraction of DMSO is greater than 0.36. DMSO is a promising solvent for separating the azeotrope of isobutyl alcohol and isobutyl acetate by extractive distillation.

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“…The vapor–liquid equilibrium (VLE) is the basic data for extractive distillation. However, most of the vapor–liquid equilibrium data of azeotropic systems with ILs as solvents are based on the minimum boiling azeotropic mixture . There are only a few papers about the maximum boiling azeotrope. , There are no published literature studies about the VLE of chloroform + ethyl acetate+ ILs.…”

Section: Introductionmentioning

confidence: 99%

Isobaric Vapor–Liquid Equilibrium for Ethyl Acetate + Chloroform with Ionic Liquids [EMIM][OAc], [BMIM][OAc], and DMSO + [EMIM][OAc] as Entrainers at 101.3 kPa

Cui

Zhang

et al. 2023

J. Chem. Eng. Data

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Ionic liquid 1-ethyl-3-methylimidazolium acetate ([EMIM][OAc]), 1butyl-3-methylimidazolium acetate ([BMIM][OAc]), and a mixture of [EMIM][OAc] and dimethyl sulfoxide (DMSO) were used as solvents to separate the maximum boiling azeotropic mixture of ethyl acetate and chloroform. The ternary vapor−liquid equilibrium (VLE) data of ethyl acetate + chloroform + [EMIM][OAc] were measured at 101.3 kPa. The liquid phase is partially soluble when the concentration of ethyl acetate and [EMIM][OAc] is high in the ternary system, and DMSO is employed to enhance the solubility of [EMIM][OAc] in ethyl acetate. Different entrainers were compared by measuring the VLE of ethyl acetate + chloroform + DMSO, ethyl acetate + chloroform + [BMIM][OAc], and ethyl acetate + chloroform + [EMIM][OAc] + DMSO at 101.3 kPa. All of the entrainers can improve the relative volatility of ethyl acetate to chloroform. The salting-out effects of the ILs [EMIM][OAc] and [BMIM][OAc] are significantly greater than that of DMSO. Organic solvent DMSO can enhance the selectivity of [EMIM][OAc] at high ethyl acetate concentration. The effects of the entrainers were analyzed by sigma-profiles. The nonrandom two-liquid (NRTL) activity coefficient model was adopted to correlate the experimental data. The binary interaction parameters of the NRTL equation were obtained, and the correlation results agreed well with experimental results.

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Isobaric vapor–liquid equilibrium of acetic acid+N,N-dimethylacetamide+1-butyl-3-methylimidazolium Bis[(trifluoromethyl)sulfonyl]-imide

Cited by 18 publications

References 43 publications

Combined Experimental and Theoretical Studies on the Prediction of the Isobaric Vapor–Liquid Association Phenomena for Binary and Ternary Mixtures of Water, Ethanoic Acid, and Propanoic Acid

Combined Experimental and Theoretical Studies on the Prediction of the Isobaric Vapor–Liquid Association Phenomena for Binary and Ternary Mixtures of Water, Ethanoic Acid, and Propanoic Acid

Isobaric Vapor–Liquid Equilibrium for the Binary and Ternary System with Isobutyl Alcohol, Isobutyl Acetate and Dimethyl Sulfoxide at 101.3 kPa

Isobaric Vapor–Liquid Equilibrium for Ethyl Acetate + Chloroform with Ionic Liquids [EMIM][OAc], [BMIM][OAc], and DMSO + [EMIM][OAc] as Entrainers at 101.3 kPa

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