Liquid-liquid equilibrium of water, ethyl acrylate, and alkyl alcohol solvents: Extractant screening and thermodynamic analysis

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In order to recover 3-methoxybutyl acetate from an aqueous solution containing 3-methoxybutyl acetate, four n-alkanols (C 5 −C 8 ) with different carbon chain lengths were selected as solvents for the liquid−liquid equilibrium (LLE) experiment of water + 3-methoxybutyl acetate + n-alkanols and the LLE data were measured at 303.2 K, 101.3 kPa. And by calculating the distribution coefficient (D) and separation factor (S), the separation effect of different extractants was compared and discussed. The obtained LLE data were correlated by NRTL and UNIQUAC models, and the binary interaction parameters of each system were determined. The model data for each system passed the hybrid surface analysis test of the Gibbs energy topology, indicating that the obtained model data are reliable. The root-mean-square deviation (RMSD) of the two models was less than 0.72 and 0.58%, respectively. The σ-profiles and interaction energy analysis were used to investigate the effect of alkyl chain length on separation efficiency. The analysis showed that the longer the alkyl chain length of n-alkanols, the higher the extraction efficiency of n-alkanols.

Section: Resultsmentioning

confidence: 80%

Section: Evaluation Of Interaction Parametersmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Influence of Alkyl Chain Length of Alcohols on the Extraction Efficiency of 3-Methoxybutyl Acetate in Aqueous Solution (C₅–C₈ as Examples): Experimental Study, Thermodynamic Modeling, and Molecular Interaction Analysis

Li,

Yan,

Han

et al. 2023

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“…This study used the jacketed reaction kettle; see our previous study. 39 {n-hexane, n-heptane, iso-octane, or n-nonane} + methanol + ethylene glycol was added to the reactor, and the experimental conditions were maintained at 303.2 K under 101.3 kPa. A magnetic stirrer was used to stir the reagents for 4 h, and the reagents were allowed to stand for 8 h. The temperature was measured by a thermocouple during the experiment, and the temperature error was less than ±0.1 K. The samples were respectively taken from the upper and lower sampling ports.…”

Section: Methodsmentioning

confidence: 99%

Study of Methanol Extraction from Saturated Alkanes: Solvent Screening, Liquid–Liquid Equilibrium Measurement, and Thermodynamic Simulation

Zhang,

Yan,

Niu

et al. 2023

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In the process of CO2 catalytic hydrogenation to methanol, saturated alkanes will be produced, and the purity of refined methanol will be reduced. Therefore, the separation of methanol from saturated alkanes is very important. The separation of methanol and saturated alkanes was studied in this work. The suitable solvent was screened by σ-profile analysis, interaction energy analysis, and extraction performance analysis. Finally, ethylene glycol was selected as the suitable solvent for the separation of methanol from saturated alkanes. The liquid–liquid equilibrium (LLE) data of {n-hexane, n-heptane, iso-octane, and n-nonane} + methanol + ethylene glycol were measured at 303.2 K and 101.3 kPa, respectively. The extraction performance of ethylene glycol was evaluated by distribution constant (D) and separation factor (S). In the meantime, LLE data were regressed using the nonrandom two-liquid (NRTL) and universal quasi-chemical (UNIQUAC) models to obtain the regression parameter values. The root-mean-square deviation (RMSD) of the NRTL and UNIQUAC models were less than 0.0047 and 0.0044, respectively.

“…Only a limited number of references mention LLE data related to this particular system. Han et al 4 used n-alkanols of different carbon chain lengths (C5−C8) as extractants to extract EA from water and measured LLE data for each system at 303.2 K, 101.3 kPa. The partition coefficient and separation factor were used to evaluate the extraction performance of the extractants.…”

Section: Introductionmentioning

confidence: 99%

Study on the Effect of Alkane Chain Length on the Extraction of Ethyl Acrylate from Aqueous Solution and Correlation of Thermodynamic Model

Wang,

Li,

Wei

et al. 2023

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To explore the performance of n-alkanes with different alkyl chain lengths to extract ethyl acrylate from aqueous solutions, LLE data for the ternary system [water + ethyl acrylate + n-alkanes (C5, C6, C7, and C12)] were measured at 303.2 K, 101.25 kPa. Partition coefficients and separation factors were calculated as parameters for the evaluation of extractant extraction performance, where n-dodecane had the highest S and D values, indicating that it is a suitable extractant. The NRTL and UNIQUAC models were used to correlate the systems involved in this work, and the optimal binary interaction parameters were obtained. The smaller rmsd values indicate the good applicability of these two models for this ternary system, with values less than 0.88 and 0.78%, respectively. The mixed surface analysis of the Gibbs energy topology was used to test the obtained parameters, and the results showed that the parameters were reliable. In addition, the molecular force between the extractant and ethyl acrylate was determined to be van der Waals force by σ-Profile analysis and increased with the number of carbon atoms of n-alkanes.