Liquid-liquid equilibrium measurements and interaction explorations for separation of azeotrope n-butyl acetate and n-butanol using three ionic liquids

Wang, Dan; Wei, Feng; Reyes‐Labarta, Juan A.; Wang, Zhaojie; Xu, Dongmei; Gao, Jun; Zhang, Lianzheng; Wang, Yinglong

doi:10.1016/j.jct.2020.106349

Cited by 28 publications

(26 citation statements)

References 49 publications

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“…The consistency between the regressed binary interaction parameters and the experimental LLE tie lines was checked by the topology of Gibbs energy of mixing surface analysis − using a graphical user interface in Matlab by Reyes-Labarta . The G M /RT surfaces derived from the regressed binary interaction parameters are shown in Figure a,b together with the experimental tie lines at 303.15 K. The miscibility boundary at 303.15 K predicted using the NRTL model is shown in Figure .…”

Section: Resultsmentioning

confidence: 99%

Measurements and Thermodynamic Modeling of Liquid–Liquid Equilibrium Data for 2-Methyl-2-Butanol + Water + Ethylbenzene

Zhang

Jian²,

Du³

et al. 2021

J. Chem. Eng. Data

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Liquid–liquid equilibrium (LLE) data for the mixture 2-methyl-2-butanol + water + ethylbenzene were measured at 303.15, 313.15, and 323.15 K at atmospheric pressure. The quality of the experimental LLE data was tested by the mass balance between the feed and the conjugated phases. The extraction capacity of ethylbenzene was evaluated by selectivity (S). The experimental results show that S is more than 117, and it decreases with the content of 2-methyl-2-butanol in the water phase and equilibrium temperature. The binary interaction parameters for the NRTL and UNIQUAC models were derived from regression of the experimental LLE data. The root-mean-square deviations are no more than 1.27%. The consistency between the regressed binary interaction parameters and the experimental LLE data was verified using the topology of Gibbs energy of mixing surface analysis.

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Section: Resultsmentioning

confidence: 99%

Measurements and Thermodynamic Modeling of Liquid–Liquid Equilibrium Data for 2-Methyl-2-Butanol + Water + Ethylbenzene

Zhang

Jian²,

Du³

et al. 2021

J. Chem. Eng. Data

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“…The NRTL and UNIQUAC models were used to calculate the binary interaction parameters of each system. The structural parameters r and q of UNIQUAC can be obtained in Aspen Plus, shown in Table . The objective function (OF) is calculated as follows where w cal is the mass fraction calculated by Aspen; w exp is the actual measurement; M is the number of tie-line; and subscripts i , j , and k represent the number of components, phases, and connection lines, respectively.…”

Section: Resultsmentioning

confidence: 99%

“…The NRTL and UNIQUAC models were used to calculate the binary interaction parameters of each system. The structural parameters r and q of UNIQUAC can be obtained in Aspen Plus, 31 shown in Table 5. The objective function (OF) 32 is calculated as follows…”

Section: Empirical Equationmentioning

confidence: 99%

Experiment and Correlation of Liquid–Liquid Equilibrium Data for Water + 2-Propanol + 1-Octanol or n-Propyl Acetate at 298.2, 308.2, and 318.2 K under 101.3 kPa

et al. 2021

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The basic liquid–liquid equilibrium data of two systems {water + 2-propanol (IPA) + 1-octanol/n-propyl acetate} were measured. The distribution coefficients of the 2-propanol and the separation factors of the systems were calculated to analyze the extraction ability of the two extractants that extract IPA from water. The correlation model Hand equation was used to fit the data. The value of the linear correlation coefficient R 2 > 0.99 indicates that the linear fit of the experimental data is good. The theoretical models NRTL and UNIQUAC were used to correlate the measured data. The deviation between experimental data and simulated data was calculated by the root mean square deviation (RMSD). The RMSD < 0.01 means that the two models were suitable for the regression of the systems studied in this work. GUI-MATLAB has validated the binary interaction parameters. The basic data obtained from this work can support the separation of water and IPA.

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“…29 Additionally, IL 1-alkyl-3methylimidazolium dihydrogen phosphate with different alkyl chain lengths was used to separate n-butyl acetate and BuOH. 30 Despite the progress made in IL-intensified reactive extraction, studies of LLE with acidic ILs as solvents are still scarce. 31 Moreover, LLE results for the IL-involved esterification system of n-BA are not available so far.…”

Section: Introductionmentioning

confidence: 99%

“…Liquid–liquid equilibrium (LLE) data play a significant role in the intensified process design for the reactive extraction of the esterification. Many researchers have investigated LLE of IL-containing esterification systems, such as binary {water + ILs} systems − and ternary {water + alcohols + ILs}, − {carboxylic acids + esters/water + ILs}, − and {alcohols + esters + ILs} systems. − For the {water + alcohols + ILs} system, imidazolium ILs were used to separate an azeotropic mixture of {2-propanol + water}, and the IL tetrabutylphosphonium bis{(trifluo methyl)sulfonyl}imide was demonstrated to be highly selective for BuOH from the water and BuOH system . As for the {alcohol/acetic acid + ester + acidic IL} system, Naydenov et al studied the influence of the carbon numbers of IL cations on the phase behavior .…”

Section: Introductionmentioning

confidence: 99%

Liquid–Liquid Equilibrium for the Esterification System of Acrylic Acid with n-Butanol Catalyzed by Ionic Liquid [BMIm][HSO₄] at Atmospheric Pressure

et al. 2021

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n-Butyl acrylate (n-BA), one of the important chemicals in the resin industry, can be synthesized by esterification of acrylic acid (AA) and n-butanol (BuOH). Owing to the thermodynamic immiscibility of n-BA and water, reactive extraction is promising to intensify the esterification with a suitable solvent (e.g., ionic liquid, IL) through in situ shifting of the reaction equilibrium toward n-BA. Herein, a typical Brønsted acidic IL 1-butyl-3-methylimidazolium hydrogen sulfate ([BMIm][HSO4]) was employed to intensify the esterification process. The liquid–liquid equilibrium (LLE) of ternary systems {AA or BuOH + n-BA + [BMIm][HSO4]} and a quinary system {AA + BuOH + n-BA + water + [BMIm][HSO4]} was investigated at atmospheric pressure and temperatures T = 313.15, 333.15, and 353.15 K and T = 333.15, 343.15, and 353.15 K, respectively. According to experimental results, the solute distribution coefficient and solvent selectivity were tested to verify the thermodynamic feasibility of [BMIm][HSO4] as a catalyst and an extractant for n-BA formation. In addition, the NRTL model was adopted to correlate the experimental data, and the binary interaction parameters for the esterification system were fitted.

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Liquid-liquid equilibrium measurements and interaction explorations for separation of azeotrope n-butyl acetate and n-butanol using three ionic liquids

Cited by 28 publications

References 49 publications

Measurements and Thermodynamic Modeling of Liquid–Liquid Equilibrium Data for 2-Methyl-2-Butanol + Water + Ethylbenzene

Measurements and Thermodynamic Modeling of Liquid–Liquid Equilibrium Data for 2-Methyl-2-Butanol + Water + Ethylbenzene

Experiment and Correlation of Liquid–Liquid Equilibrium Data for Water + 2-Propanol + 1-Octanol or n-Propyl Acetate at 298.2, 308.2, and 318.2 K under 101.3 kPa

Liquid–Liquid Equilibrium for the Esterification System of Acrylic Acid with n-Butanol Catalyzed by Ionic Liquid [BMIm][HSO₄] at Atmospheric Pressure

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Liquid-liquid equilibrium measurements and interaction explorations for separation of azeotrope n-butyl acetate and n-butanol using three ionic liquids

Cited by 28 publications

References 49 publications

Measurements and Thermodynamic Modeling of Liquid–Liquid Equilibrium Data for 2-Methyl-2-Butanol + Water + Ethylbenzene

Measurements and Thermodynamic Modeling of Liquid–Liquid Equilibrium Data for 2-Methyl-2-Butanol + Water + Ethylbenzene

Experiment and Correlation of Liquid–Liquid Equilibrium Data for Water + 2-Propanol + 1-Octanol or n-Propyl Acetate at 298.2, 308.2, and 318.2 K under 101.3 kPa

Liquid–Liquid Equilibrium for the Esterification System of Acrylic Acid with n-Butanol Catalyzed by Ionic Liquid [BMIm][HSO4] at Atmospheric Pressure

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Liquid–Liquid Equilibrium for the Esterification System of Acrylic Acid with n-Butanol Catalyzed by Ionic Liquid [BMIm][HSO₄] at Atmospheric Pressure