The selection and mechanism of composite solvent containing ionic liquid in liquid-liquid microextraction process

Fang, Jing; Li, Yihan; Li, Tingting; Li, Chunli

doi:10.1016/j.cep.2019.03.002

Cited by 5 publications

(7 citation statements)

References 27 publications

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“…The strength of intermolecular interaction was quantitatively indicated by interaction energy. [32][33][34] This study is a continuation of our studies on the separation of the benzene-methanol azeotrope by the extractive distillation using IL as entrainer. In this work, the extractive distillation process of the benzene-methanol mixture with IL ([hmim][OAC], [omim][OAC] or [dmim][OAC]) as entrainer were simulated by Aspen Plus V8.8 simulator.…”

Section: Introductionmentioning

confidence: 86%

“…The interaction energy is calculated on the basis of the optimal configuration of intermolecular interaction. The calculation is conducted according to Eqns (20) and (21):

Δ E = E_{normalAB} - E_{normalA} - E_{normalB}

where △ E is the calculated interaction energy; E A and E B represent the energies of two interacting molecules, respectively; E AB represents the energy of their mixture. The corrected interaction energy is the sum of the calculated interaction energy and the correction energy of the basis set superposition error ( E BSSE ).…”

Section: Intermolecular Interaction Calculationmentioning

confidence: 99%

“…In addition, the study of intermolecular interaction between IL entrainer and substance to be separated is helpful to the selection and design of IL entrainer with high performance. The strength of intermolecular interaction was quantitatively indicated by interaction energy …”

Section: Introductionmentioning

confidence: 99%

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Evaluation of ionic liquid separation ability for the benzene–methanol mixture by extractive distillation

Wang

Feng

et al. 2019

J of Chemical Tech & Biotech

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BACKGROUND Benzene–methanol azeotrope can be formed at atmospheric pressure. Extractive distillation is widely used in the separation of azeotrope. The key factor for extractive distillation is the selection of entrainer. The minimal total annual cost of extractive distillation process can be used as objective function to evaluate the separation performance of ionic liquid entrainer. Intermolecular interaction energy can be used to analyze separation mechanisms. RESULT An Aspen Plus software database belonging to the three ionic liquids 1‐hexyl‐3‐methylimidazolium acetate, 1‐octyl‐3‐methylimidazolium acetate and 1‐decyl‐3‐methylimidazolium acetate was established. The minimal total annual costs of three extractive distillation processes for the separation of benzene–methanol mixture with different ionic liquids were obtained by sequential iterative method. The feed rate of entrainer was also obtained under the optimized conditions. Among the three extractive distillation processes with different ionic liquid, the total annual cost and the entrainer feed rate of the extractive distillation process with 1‐hexyl‐3‐methylimidazolium acetate as entrainer are the smallest. The intermolecular interaction energies in the ternary system of benzene–methanol–ionic liquid were obtained using the Gaussian 09 software package based on the density functional theory. The separation mechanisms and the extractive distillation process of benzene–methanol azeotrope with ionic liquid as entrainer was interpreted by the intermolecular interaction energy. CONCLUSION The results show that the separation ability of 1‐hexyl‐3‐methylimidazolium acetate is higher than that of 1‐octyl‐3‐methylimidazolium acetate or 1‐decyl‐3‐methylimidazolium acetate. Intermolecular interaction energy analysis can be used in the screening and design of ionic liquid entrainer. © 2019 Society of Chemical Industry

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Section: Introductionmentioning

confidence: 86%

“…The interaction energy is calculated on the basis of the optimal configuration of intermolecular interaction. The calculation is conducted according to Eqns (20) and (21):

Δ E = E_{normalAB} - E_{normalA} - E_{normalB}

Section: Intermolecular Interaction Calculationmentioning

confidence: 99%

See 1 more Smart Citation

Evaluation of ionic liquid separation ability for the benzene–methanol mixture by extractive distillation

Wang

Feng

et al. 2019

J of Chemical Tech & Biotech

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“…The details of 4E are calculated at the same level as stated above. 4E can be calculated as follows 32,40 :…”

Section: Separation Mechanism Analysismentioning

confidence: 99%

“…[35][36][37] 37 Intermolecular interaction energy was used to optimize IL design 22,38,39 and quantitatively describe intermolecular interactions. [40][41][42] In the study reported here, the selectivity of tetrahydrofuran (1) to ethanol (2) caused by IL at infinite dilution (S ∞ 12 ), and the solvent capacities of tetrahydrofuran (1) and ethanol (2) 43 The extractive distillation processes involving the three ILs as extractants were optimized by Aspen Plus software. The minimum breaking azeotropic mole fractions and the optimal TAC were used to evaluate IL separation ability.…”

Section: Introductionmentioning

confidence: 99%

Extractive distillation of tetrahydrofuran–ethanol azeotropic mixture with ionic liquid as extractant

Li,

Zhang,

Guo

et al. 2023

J of Chemical Tech & Biotech

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BACKGROUNDThe tetrahydrofuran‐ethanol azeotrope can't be separated by common distillation, but can be effectively separated by extractive distillation. Extractive distillation can be simulated by Aspen Plus software. Minimum annual cost of the process can be calculated to assess ionic liquid separation ability. The interaction energy can be used to explain the separation mechanism.RESULTSThe non‐random two‐liquid model parameters of the ternary mixtures for tetrahydrofuran and ethanol containing tributyl methylammonium acetate or 1‐octyl‐3‐methylimidazolium acetate were obtained. Thermodynamic properties databases of tributyl methylammonium acetate, 1‐hexyl‐2,3‐dimethylimidazolium acetate and 1‐octyl‐3‐methylimidazolium acetate were established. Based on the thermodynamic model parameters and properties, the sequential iterative method was used to gain the best operating conditions and minimum total annual cost the of extractive distillation process. The interaction energy was calculated to explain the separation mechanism.CONCLUSIONSThe separation performance of tributyl methylammonium acetate is better than that of 1‐hexyl‐2,3‐dimethylimidazolium acetate or 1‐octyl‐3‐methylimidazolium acetate. The selection and design of the ILs can be operated by the interaction energy.This article is protected by copyright. All rights reserved.

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Synthesis of a chiral ionic liquid, cholinium-clindamycin phosphate, as sole chiral selector in capillary electrophoresis

Feng

et al. 2020

Journal of Chromatography A

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The selection and mechanism of composite solvent containing ionic liquid in liquid-liquid microextraction process

Cited by 5 publications

References 27 publications

Evaluation of ionic liquid separation ability for the benzene–methanol mixture by extractive distillation

Evaluation of ionic liquid separation ability for the benzene–methanol mixture by extractive distillation

Extractive distillation of tetrahydrofuran–ethanol azeotropic mixture with ionic liquid as extractant

Synthesis of a chiral ionic liquid, cholinium-clindamycin phosphate, as sole chiral selector in capillary electrophoresis

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