Liquid-liquid equilibrium for n-hexane + benzene + sulfolane, + 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([EMIM][NTf2]), + 1-ethyl-3-methylimidazolium ethylsulfate ([EMIM][EtSO4]) and + the mixtures of [EMIM][NTf2] and [EMIM][EtSO4]

Guo, Yicang; Shi, Fengming; Qipeng, Shu; Yue, Xiaoyong; Wang, Cheng; Tao, Lei; Li, Jinlong

doi:10.1016/j.fluid.2020.112882

Cited by 23 publications

(27 citation statements)

References 42 publications

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“…(3) Tables 3, 4 . In a recent study, Guo et al [20] reported the following values: D (0.7722-0.9129) and S (42.07-1.35) in the extraction of benzene from n-hexane using sulfolane at 323.15 K. The relatively higher values of D and S in the present study may be attributed to multi-component extraction in addition to simulation error. Sulfolane will be used as benchmark for the comparative analysis in this study.…”

Section: Validationsupporting

confidence: 38%

“…Liquid-liquid equilibria (LLE) data were simulated in Aspen plus V 9 process simulator using the activity coefficient model of non-random two liquid (NRTL). The choice of NRTL over other activity coefficient such as UNIQUAC and Wilson was informed by a number of studies that reveal the superiority of NRTL in simulation of LLE data for separation of aliphatic-aromatic systems [20][21][22][23]. Seven LLE data for different ternary systems were so simulated in this study.…”

Section: Aspen Plus Simulationmentioning

confidence: 99%

“…The superior performance of ILs and DESs relative to the conventional solvent (Sulfolane) for extraction of aromatics from aliphatics have been well reported. For example, Guo et al [20] investigated the capacity of two ILs Though the findings of the aforementioned ILs and DESs reveal highly promising values of distribution coefficient and selectivity, they were all based on model aromatic-aliphatic mixture with only one species of each. Few studies used real mixture containing multi-component of aromatics and aliphatics.…”

Section: Introductionmentioning

confidence: 99%

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ASPEN plus simulation of liquid–liquid equilibria data for the extraction of aromatics from waste tyre pyrolysis gasoline using organic and deep eutectic solvents: a comparative study

et al. 2021

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Waste tyre pyrolysis gasoline (WTPG) contain significant amount of aromatics such as benzene, toluene and xylenes (BTX) and thus provide a good source for these value-added chemicals. Separation of aromatics from aliphatic media as obtained in WTPG and naphtha is done commercially by solvent extraction using volatile organic solvents such as sulfolane (SUF), dimethylformamide (DMF) and diethylene glycol (DEG). The high cost of this state-of-the art separation method and environmental consideration have necessitated search for non-volatile and green solvent such as deep eutectic solvent (DES). This study intends to conduct a comparative evaluation of the performance of five solvents (SUF, DMF, DEG, and two DESs) for the extraction of BTX from WTPG. The two DESs are choline chloride/ethylene glycol (DES1) and choline chloride/glycerol (DES2) in molar ratios 1:2. An ASPEN plus simulation was carried out to generate liquid–liquid equilibria (LLE) data for the pseudo-ternary systems {WTPG + BTX + solvent (SUF/DMF/DEG/DES)}. Performance evaluation was based on selectivity (S) and solute (BTX) distribution coefficient (D). The propriety of the simulation protocol was validated using literature data. The results revealed the following maximum values of selectivity and distribution coefficients for the solvents: DES2 (S = 378.283, D = 0.656); DES1 (S = 77.364, D = 1.423); SUF (S = 55.371, D = 0.756); DMF (S = 25.336, D = 0.786) and DEG (S = 17.531, D = 0.793). The DESs therefore performed better than the organic solvents and can suitably replace same in the extraction of BTX from waste tyre pyrolysis gasoline.

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Section: Validationsupporting

confidence: 38%

Section: Aspen Plus Simulationmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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ASPEN plus simulation of liquid–liquid equilibria data for the extraction of aromatics from waste tyre pyrolysis gasoline using organic and deep eutectic solvents: a comparative study

et al. 2021

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“…Their results indicate that the toluene distribution coefficient and selectivity values obtained for the mixed IL with 0.9 mol fraction of [hmim] [PF 6 ] were higher than those of sulfolane. Guo et al [18] achieved synergy in terms of improved distribution coefficient and selectivity using a mixture of two ILs, namely 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl) imide ([emim][NTf 2 ]) and 1-ethyl-3-methylimidazolium ethylsulfate ([emim][EtSO 4 ]) to extract benzene from n-hexane. In all these studies, the primary consideration was to attain synergy between two ILs in terms of improved distribution coefficient or selectivity, even though viscosity reduction was also achieved.…”

Section: Introductionmentioning

confidence: 99%

“…Experimental tie lines for the system n-hexane + benzene + [20%ChCl:Gly + 80%ChCl:Ur] at temperature 303 K and atmospheric pressure This mixed DES (DES4) has the following maximum parameters (D = 0.75, S = 422.485) outperforming sulfolane with the parameters (D = 0.7231, S = 42.38)[18]. However, the viscosity of sulfolane is 10.35 cP compared to DES4 with a value of 342.12 cP.…”

mentioning

confidence: 99%

Binary mixtures of choline chloride-based deep eutectic solvents as green extractants for the extraction of benzene from n-hexane

et al. 2021

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A suitable green solvent for extraction of aromatics from aliphatics must possess good solvation and physicochemical properties, a rare occurrence in a single deep eutectic solvent (DES). Mixture of DESs could enable synergy and provide a good candidate extractant. In this study, DESs of glyceline, ethaline, and reline were synthesized and their binary mixtures (glyceline/ethaline, reline/ethaline, and glyceline/reline) produced by blending in various volume proportions. Twelve of such mixed solvents were prepared and their extraction efficiency for separating benzene from n-hexane investigated in a batch equilibrium process. Liquid–liquid equilibria (LLE) data for the pseudo-ternary systems of n-hexane + benzene + mixed DESs were measured at 303 K and 101.3 kPa. The distribution coefficient (D) and selectivity (S) of each pseudo-ternary system were determined to elicit extraction efficiency. The physicochemical properties of the mixed DESs were also measured. The results show that generally the distribution coefficients, selectivities, and physicochemical properties of the mixed DESs lie between the corresponding values for the constituent DES. The best performance was given by the mixed solvent of glyceline and ethaline in the 80:20 volume ratio, respectively, with D = 0.75 and S = 422.485. This assertion was further corroborated by higher percent recovery of benzene obtained from the said mixed DES (57.88%) relative to other mixed DESs (≤ 49.11%) examined in this study. Furthermore, its separation efficiency is superior to sulfolane but lower than glyceline, though there was a 9.4% reduction in its viscosity relative to glyceline.

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Predictive molecular thermodynamic models for ionic liquids

Wei

Chen

et al. 2022

AIChE Journal

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Predictive molecular thermodynamic models can bridge the gap between the microscopic molecular level and macroscopic system scale. Over the past few decades, ionic liquids (ILs), as a class of green solvents and functional materials, have received widespread research interest in the field of chemical processing owing to their unique physicochemical merits. This review aims to provide an easy‐to‐read and exhaustive reference regarding state‐of‐the‐art predictive thermodynamic models for ILs, with more focuses on UNIFAC‐ and COSMO‐based models and various applications involving phase equilibrium prediction, guidance for IL screening and design, and building equilibrium stage models for separation processes. This review provides a theoretical perspective on the structure–property relationships between molecular structures and phase behaviors for the systems and the constituted components covering a multi‐scale viewpoint from molecular level to industrial scale. Moreover, the predictive capacities of different thermodynamic models are comprehensively compared.

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Liquid-liquid equilibrium for n-hexane + benzene + sulfolane, + 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([EMIM][NTf2]), + 1-ethyl-3-methylimidazolium ethylsulfate ([EMIM][EtSO4]) and + the mixtures of [EMIM][NTf2] and [EMIM][EtSO4]

Cited by 23 publications

References 42 publications

ASPEN plus simulation of liquid–liquid equilibria data for the extraction of aromatics from waste tyre pyrolysis gasoline using organic and deep eutectic solvents: a comparative study

ASPEN plus simulation of liquid–liquid equilibria data for the extraction of aromatics from waste tyre pyrolysis gasoline using organic and deep eutectic solvents: a comparative study

Binary mixtures of choline chloride-based deep eutectic solvents as green extractants for the extraction of benzene from n-hexane

Predictive molecular thermodynamic models for ionic liquids

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