Extraction of allyl alcohol from its aqueous solution using two different ionic liquids: Intermolecular interaction and liquid-liquid phase equilibrium explorations

Al-Haimi, Akram Ali Nasser Mansoor; Wang, Ke; Xu, Xin; Zhang, Lianzheng; Xu, Dongmei; Gao, Jun; Wang, Yinglong

doi:10.1016/j.molliq.2021.116875

Cited by 13 publications

(6 citation statements)

References 46 publications

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“…The demarcation line σ = ±0.0084 e/Å 2 divides the σprofile into three regions. 33 It can be seen from peak analysis that methanol has four peaks in the σ-profile (σ = −0.0024, 0.0051, 0.0098, 0.0134 e/Å 2 ). n-Hexane has one peak in the neutral zone (σ = −0.0001 e/Å 2 ).…”

Section: σ-Profilementioning

confidence: 98%

“…The σ-profile of methanol, n -hexane, and solvents (THFA, sulfolane, furfuryl alcohol, ethylene glycol) is shown in Figure . The demarcation line σ = ±0.0084 e/Å 2 divides the σ-profile into three regions . It can be seen from peak analysis that methanol has four peaks in the σ-profile (σ = −0.0024, 0.0051, 0.0098, 0.0134 e/Å 2 ).…”

Section: Solvent Screeningmentioning

confidence: 99%

“…The σ-profile is commonly used to analyze the interaction of molecules, and it represents the surface charge density of a molecule. 33 The intermolecular interactions between methanol and the solvent were analyzed by σ-profile, which was obtained by the Dmol3 of Materials Studio. 31 The σ-profile of methanol, n-hexane, and solvents (THFA, sulfolane, furfuryl alcohol, ethylene glycol) is shown in Figure 1.…”

Section: σ-Profilementioning

confidence: 99%

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

Zhang,

Yan,

Niu

et al. 2023

J. Chem. Eng. Data

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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.

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Section: σ-Profilementioning

confidence: 98%

Section: Solvent Screeningmentioning

confidence: 99%

Section: σ-Profilementioning

confidence: 99%

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

Zhang,

Yan,

Niu

et al. 2023

J. Chem. Eng. Data

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“…30−35 To date, numerous studies have reported the application of ILs in chemical reactions, materials science, extraction and separation, gas absorption and separation, and the development of pharmaceutics and medicines. 36−46 Since the first successful extraction and separation of benzene derivatives from aqueous solutions using [BMIM][PF 6 ] by Rogers et al in 1998, 47 the application of ILs in extraction processes has become increasingly widespread, including in the extraction of hydrocarbons, 48−50 organic acids, 51 alcohols, 52,53 amines, 54 natural products, 55−57 and metal ions. 58−61 Hydrocarbon extraction using ILs mainly consists of the extraction of monocyclic aromatic hydrocarbons (MAHs) from aliphatics (e.g., separation of benzene/hexane, toluene/octane, benzene/ cyclohexane, ethylbenzene/cyclooctane, and hexane/cyclohexane systems), 62−67 extractive desulfurization (EDS) 68,69 and extractive denitrification (EDN) 70,71 from fuel oils, and separation of olefins/alkanes with high carbon numbers.…”

Section: Introductionmentioning

confidence: 99%

Hydrocarbon Extraction with Ionic Liquids

Yu,

Dai,

Liu

et al. 2024

Chem. Rev.

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Separation and reaction processes are key components employed in the modern chemical industry, and the former accounts for the majority of the energy consumption therein. In particular, hydrocarbon separation and purification processes, such as aromatics extraction, desulfurization, and denitrification, are challenging in petroleum refinement, an industrial cornerstone that provides raw materials for products used in human activities. The major technical shortcomings in solvent extraction are volatile solvent loss, product entrainment leading to secondary pollution, low separation efficiency, and high regeneration energy consumption due to the use of traditional organic solvents with high boiling points as extraction agents. Ionic liquids (ILs), a class of designable functional solvents or materials, have been widely used in chemical separation processes to replace conventional organic solvents after nearly 30 years of rapid development. Herein, we provide a systematic and comprehensive review of the state-of-the-art progress in ILs in the field of extractive hydrocarbon separation (i.e., aromatics extraction, desulfurization, and denitrification) including (i) molecular thermodynamic models of IL systems that enable rapid large-scale screening of IL candidates and phase equilibrium prediction of extraction processes; (ii) structure–property relationships between anionic and cationic structures of ILs and their separation performance (i.e., selectivity and distribution coefficients); (iii) IL-related extractive separation mechanisms (e.g., the magnitude, strength, and sites of intermolecular interactions depending on the separation system and IL structure); and (iv) process simulation and design of IL-related extraction at the industrial scale based on validated thermodynamic models. In short, this Review provides an easy-to-read exhaustive reference on IL-related extractive separation of hydrocarbon mixtures from the multiscale perspective of molecules, thermodynamics, and processes. It also extends to progress in IL analogs, deep eutectic solvents (DESs) in this research area, and discusses the current challenges faced by ILs in related separation fields as well as future directions and opportunities.

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“…[5][6][7] In industry, the hydrolysis of allyl acetate is often used to prepare allyl alcohol, resulting in a product mixture consisting of allyl alcohol, water, minute quantities of allyl aldehyde, and acetic acid. 8,9 Allyl alcohol (b.p. 96.9 °C) and water have very similar boiling points and can form an allyl alcohol (72 wt%)-water (28 wt%) azeotrope.…”

Section: Introductionmentioning

confidence: 99%

A salting-out strategy for the efficient separation of an azeotropic mixture of allyl alcohol and water

Jia

Hua

et al. 2023

Journal of Chemical Research

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Allyl alcohol and water can form the lowest boiling point azeotrope, but it is very hard to acquire high-purity allyl alcohol by normal distillation methods. Herein, a separation and purification protocol is developed for perfectly separating an azeotropic mixture of allyl alcohol and water using the salting-out method, in which three potassium phosphate salts, K5P3O10, K3PO4, and K4P2O7, are systematically investigated as salting-out agents, and finally a product consisting of > 99% allyl alcohol is obtained. A thermodynamic study demonstrates that this process involves endothermy and increment entropy. There is a good correlation between the solubility of allyl alcohol and the molar concentration of salt (mol per 1 kg water), and the solubility of the allyl alcohol in the organic phase or the water phase can be forecast using the mass percentage of salts. This work provides a new methodology for the efficient separation of an azeotropic mixture of allyl alcohol and water.

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Extraction of allyl alcohol from its aqueous solution using two different ionic liquids: Intermolecular interaction and liquid-liquid phase equilibrium explorations

Cited by 13 publications

References 46 publications

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

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

Hydrocarbon Extraction with Ionic Liquids

A salting-out strategy for the efficient separation of an azeotropic mixture of allyl alcohol and water

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