Liquid–liquid equilibria of methylcyclohexane–benzene–N-formylmorpholine at several temperatures

Chen, DongChu; Ye, Hongqi; Wu, Hao

doi:10.1016/j.fluid.2007.03.013

Cited by 14 publications

(8 citation statements)

References 8 publications

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“…Sulfolane, N-methylpyrrolidin-2-one, ethylene glycol, propylene carbonate and other polar organic solvents have served as the extraction solvent or as an additive to prevent azeotrope formation. The published chemical and engineering literature [1][2][3][4][5][6][7][8][9][10][11][12][13][14] report experimental liquid-liquid equilibrium data for ternary, quaternary and quinary aromatic hydrocarbon(s) + aliphatic hydrocarbon(s) + polar organic solvent mixtures to facilitate the design of extraction processes for aromatic hydrocarbon removal. Choice of the extraction solvent is an important design consideration.…”

Section: Introductionmentioning

confidence: 99%

Abraham model correlations for transfer of neutral molecules and ions to sulfolane

Stephens

Rosa

Saifullah

et al. 2011

Fluid Phase Equilibria

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Data have been compiled from the published literature on the partition coefficients of solutes and vapors into anhydrous sulfolane. The logarithms of the water-to-sulfolane partition coefficients, log P, and gas-to-sulfolane partition coefficients, log K, were correlated with the Abraham solvation parameter model. The derived correlations described the observed log P and log K values for solutes dissolved in sulfolane to within average standard deviations of 0.14 log units or less. The log P correlation was extended to include the partition of ions by inclusion of a cation-solvent and an anion-solvent term.

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Section: Introductionmentioning

confidence: 99%

Abraham model correlations for transfer of neutral molecules and ions to sulfolane

Stephens

Rosa

Saifullah

et al. 2011

Fluid Phase Equilibria

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“…Therefore, the NRTL model is adopted for the LLE correlation of benzene–cyclohexane-ST 5:1. The binary interaction parameters are determined by reducing the differences between the experimental and calculated mass fractions of each component. , The objective function (OF), which is used to reflect the differences between the experimental and the calculated data, is shown in equation . where n is the number of tie lines, w exp and w cal represent the experimental mass fraction and the calculated mass fraction, respectively. The subscripts k, j and i refer to the components, the phases and the tie lines, respectively.…”

Section: Resultsmentioning

confidence: 99%

Liquid–Liquid Extraction of Benzene Using Low Transition Temperature Mixtures: COSMO-SAC Predictions and Experiments

Shang

et al. 2018

J. Chem. Eng. Data

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To screen suitable low transition temperature mixtures (LTTMs) as solvents for the extraction process of a benzene and cyclohexane mixture, the extraction performance of the LTTMs (25 hydrogen-bond donors (HBDs) and 13 hydrogen-bond acceptors (HBAs)) was assessed based on COSMO-SAC predictions of infinite dilution activity coefficients of benzene and cyclohexane in different LTTMs. The effects of the molar ratio of HBD to HBA on extraction efficiency were also observed in the meantime. It is found that the LTTM sulfolane-tetrabutylammonium bromide 5:1 (ST 5:1), which has excellent extraction performance, is the most promising solvent. To explain the difference of extraction efficiency of various LTTMs, σ-profiles were adopted to study the molecular interactions between LTTMs and benzene or cyclohexane. The analysis for geometry, interaction energy, independent gradient model (IGM) and atoms in molecules (AIM) was performed to explain interaction mechanisms between benzene/cyclohexane and HBD/HBA. Moreover, the liquid–liquid equilibrium (LLE) data of benzene–cyclohexane-ST 5:1 were experimentally measured, and the consistency tests were conducted using the Othmer–Tobias equation. In addition, the LLE data were employed to fit the binary interaction parameters of the NRTL activity coefficient model. In conclusion, the LTTM ST 5:1 shows good extraction performance, which provides a reference for the extractive separation of the benzene–cyclohexane mixture in industry.

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“…The correlation of LLE data is an important step in the study of phase equilibrium, which can be used for process simulation. In this section, the binary interaction parameters of the NRTL model were obtained by minimizing the differences between the experimental and calculated equilibrium mass fractions for each of the components over all the experimental tie lines in the ternary system. , The objective function (OF), which describes the differences between the experimental and calculated equilibrium data for each of the components over all the experimental tie lines, is given in eq . Where n is the number of tie lines, w exp is the experimental mass fraction, and w cal is the calculated mass fraction. The subscripts k, j , and i refer to the components, phases, and tie lines, respectively.…”

Section: Process Simulation and Analysismentioning

confidence: 99%

Liquid–Liquid Extraction of Benzene and Cyclohexane Using Sulfolane-Based Low Transition Temperature Mixtures as Solvents: Experiments and Simulation

et al. 2018

Energy Fuels

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The separation of benzene and cyclohexane is considered to be one of the most challenging processes in the petrochemical industry. In this paper, low transition temperature mixtures (LTTMs) were used as solvents for the separation of benzene and cyclohexane. The selected LTTMs were sulfolane−tetrabutylammonium bromide 5:1 and ethylene glycol− trimethylamine hydrochloride 5:1, and liquid−liquid equilibrium (LLE) data of benzene−cyclohexane−LTTMs were experimentally determined at 40 °C under a normal atmosphere. Moreover, the effects of the mole ratio of hydrogen bond donor (HBD) sulfolane and hydrogen bond acceptor (HBA) tetrabutylammonium bromide on extraction performance were also observed based on the LLE data. It is found that, when the mole ratio of sulfolane to tetrabutylammonium bromide is 5:1, LTTM has the best extraction performance. In addition, the LLE data of the benzene−cyclohexane−LTTMs ternary system were used to fit parameters of the NRTL activity coefficient model. Based on the NRTL model the continuous extraction process was simulated and the operating parameters were obtained, and high product purity (cyclohexane 0.997) and high recovery efficiency (cyclohexane 93.28% and benzene 98.25%) can be achieved. In conclusion, the LTTM sulfolane− tetrabutylammonium bromide 5:1 is a promising solvent for the extractive separation of benzene−cyclohexane mixtures.

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Liquid–liquid equilibria of methylcyclohexane–benzene–N-formylmorpholine at several temperatures

Cited by 14 publications

References 8 publications

Abraham model correlations for transfer of neutral molecules and ions to sulfolane

Abraham model correlations for transfer of neutral molecules and ions to sulfolane

Liquid–Liquid Extraction of Benzene Using Low Transition Temperature Mixtures: COSMO-SAC Predictions and Experiments

Liquid–Liquid Extraction of Benzene and Cyclohexane Using Sulfolane-Based Low Transition Temperature Mixtures as Solvents: Experiments and Simulation

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