Experimental Determination and Correlation of Liquid–Liquid Equilibrium Data for Ternary Systems of Dodecane + 1-Methylnaphthalene + Solvent

Liquid–liquid equilibrium (LLE) data for the ternary system of dodecane + 1-methylnaphthalene + solvent were experimentally determined at 298.2 K and 101.3 kPa using N-methylimidazole, trimethyl phosphate, furfural, N,N-dimethylacetamide, benzyl alcohol, triethyl phosphate, and ethylene glycol as extractants. Using the obtained LLE data, the distribution constant, separation factor, and performance index were calculated to evaluate the performance of these extractants in extracting and separating 1-methylnaphthalene from dodecane. The reliability of the LLE data was examined using the Hand and Othmer–Tobias equations, with the correlation coefficients of the fitted equations exceeding 0.96. Furthermore, the nonrandom two-liquid (NRTL) and universal quasichemical (UNIQUAC) thermodynamic models were used to correlate the LLE data and obtain binary interaction parameters. The root-mean-square deviations between the experimental and calculated results were 0.15–0.97 for NRTL and 0.13–1.05 for UNIQUAC. The derived binary interaction parameters were validated using GMcal_TieLinesLL, a specialized software package for LLE calculations. These findings highlight that both the NRTL and UNIQUAC thermodynamic models can accurately describe the liquid–liquid phase equilibrium behavior of ternary systems, providing a theoretical basis for the industrial application of catalytic cracking diesel extraction and aromatics removal technology.

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Publication Details

Journal
Journal of Chemical & Engineering Data
Published
2025-10-16
DOI
https://doi.org/10.1021/acs.jced.5c00501
Primary Topic
Crystallization and Solubility Studies
Type
article
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article

Experimental Determination and Correlation of Liquid–Liquid Equilibrium Data for Ternary Systems of Dodecane + 1-Methylnaphthalene + Solvent

Yuyao Xie, Hui Wang, Shimin Xu, Chong Yang et al.
Journal of Chemical & Engineering Data
Crystallization and Solubility Studies
article

Experimental Determination and Correlation of Liquid–Liquid Equilibrium Data for Ternary Systems of Dodecane + 1-Methylnaphthalene + Solvent

Yuyao Xie, Hui Wang, Shimin Xu, Chong Yang, Hong Zhu, Yuwei Luo
article en

Abstract

Liquid–liquid equilibrium (LLE) data for the ternary system of dodecane + 1-methylnaphthalene + solvent were experimentally determined at 298.2 K and 101.3 kPa using N-methylimidazole, trimethyl phosphate, furfural, N,N-dimethylacetamide, benzyl alcohol, triethyl phosphate, and ethylene glycol as extractants. Using the obtained LLE data, the distribution constant, separation factor, and performance index were calculated to evaluate the performance of these extractants in extracting and separating 1-methylnaphthalene from dodecane. The reliability of the LLE data was examined using the Hand and Othmer–Tobias equations, with the correlation coefficients of the fitted equations exceeding 0.96. Furthermore, the nonrandom two-liquid (NRTL) and universal quasichemical (UNIQUAC) thermodynamic models were used to correlate the LLE data and obtain binary interaction parameters. The root-mean-square deviations between the experimental and calculated results were 0.15–0.97 for NRTL and 0.13–1.05 for UNIQUAC. The derived binary interaction parameters were validated using GMcal_TieLinesLL, a specialized software package for LLE calculations. These findings highlight that both the NRTL and UNIQUAC thermodynamic models can accurately describe the liquid–liquid phase equilibrium behavior of ternary systems, providing a theoretical basis for the industrial application of catalytic cracking diesel extraction and aromatics removal technology.

Journal of Chemical & Engineering DataVol. 70(11)
Key Laboratory of Guangdong Province (CN), Guangdong University of Petrochemical Technology (CN)
Openalex Percentile: Top 77%
Crystallization and Solubility Studies
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