Energy-efficient recovery of tetrahydrofuran and ethyl acetate by triple-column extractive distillation: entrainer design and process optimization

Yang, Ao; Yang, Su; Shi, Tao; Ren, Jingzheng; Shen, Weifeng; Zhou, Teng

doi:10.1007/s11705-021-2044-z

Cited by 52 publications

(12 citation statements)

References 48 publications

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“…The COSMO-RS model can calculate the thermodynamic properties of liquid or liquid mixtures only by molecular information and without requiring any experimental data. − Among them, interaction energy, mutual solubility, distribution coefficient, and selectivity are used to screen the suitable organic solvent. , The organic solvent itself should have a suitable molecular weight and boiling point. In this work, eighteen organic solvents, such as alkane, cycloalkane, alkene, alkyne, aromatic hydrocarbon, oxygenated solvent, and chlorinated solvent, including n -pentane, n -hexane, n -heptane, n -octane, cyclopentane, cyclohexane, 1-octene, 1-octyne, benzene, toluene, 1-methylnaphthalene, tetralin, diethyl ether, isopropyl ether, diethyl carbonate, carbon disulfide, carbon tetrachloride, and tetrachloroethylene, were screened by the COSMO-RS model.…”

Section: Calculation and Experimental Descriptionmentioning

confidence: 99%

Screening of Double Solvents Based on Multi-Index Evaluation Method for the Selective Separation m-Cresol from Model Oil

Liu

Zhang

2022

ACS Omega

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Ionic liquid (IL) as an extractant is an effective method for separating oil–phenol mixtures. However, relatively high neutral oil entrainment can lead to oil loss and a remarkable reduction in phenol purity. To reduce the entrainment of neutral oil in the extraction process, a double-solvent extraction system composed of IL 1-ethyl-3-methyl imidazolium acetate ([C 2 mim][Ac]) and an organic solvent was investigated. The multi-index evaluation method was used to screen the conventional organic solvent. The double-solvent extraction experiments were employed to verify the accuracy of the COSMO-RS prediction. Eighteen organic solvents, the interaction energy with m -cresol and cumene (neutral oil), their extraction ability, and mutual solubility with [C 2 mim][Ac], were calculated by COSMO-RS. Alkane and cycloalkane were screened due to their strong interaction and low distribution coefficient with cumene, as well as the low mutual solubility with [C 2 mim][Ac]. The experimental results were in good agreement with the COSMO-RS prediction, and cyclopentane as an organic solvent had the lowest distribution coefficient and entrainment of cumene because of its strong nonpolarity and hydrogen-bond repulsive interaction, which was explained by the σ-profile and σ-potential analysis. When the cyclopentane-to-[C 2 mim][Ac] mass ratio increased from 0.0 to 3.0, the entrainment of cumene was evidently declined from 39.5 to 5.8% and the selectivity to m -cresol was improved from 378.0 to 1058.5.

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Section: Calculation and Experimental Descriptionmentioning

confidence: 99%

Screening of Double Solvents Based on Multi-Index Evaluation Method for the Selective Separation m-Cresol from Model Oil

Liu

Zhang

2022

ACS Omega

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“…Liu et al 10 integrated group contribution (GC) and a reaction generation algorithm into the CAMD model for the design of inert reaction solvent. Yang et al 11 applied the CAMD method to find promising entrainer candidates. Vaidyanathan and El-Halwagi 12 proposed a systematic design method for polymer systems, in which a mixed integer nonlinear programming (MINLP) model was formulated with the constraints of polymer-related properties and subsequently solved by a global optimization algorithm.…”

Section: Introductionmentioning

confidence: 99%

Computer-Aided Design of a Perfluorinated Sulfonic Acid Proton Exchange Membrane Using Stochastic Optimization and Molecular Dynamic Method

Guo

Liu

Zhang

et al. 2021

Ind. Eng. Chem. Res.

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In this paper, a computer-aided polymer design (CAPD) framework with a stochastic optimization model is proposed for the design of perfluorinated sulfonic acid proton exchange membrane (PFSA-PEM) with desired properties. First, the requirements and target characteristics are identified and converted to property constraints. Then, the polymer design model is formulated as a stochastic optimization problem in which the operation temperature is treated as a random variable. Subsequently, the formulated stochastic mixed integer nonlinear programming problem is solved by a two-stage strategy. In stage I, molecular dynamics is utilized to simulate the target properties for different structures and quantities of side chains, thus establishing the quantitative structure−property relationship. In stage II, the operation temperature is considered subject to a specified probability distribution. The optimization model is solved to obtain the optimal polymer structure over the operating temperature range. Finally, a case study of PFSA-PEM design is given to illustrate the application of the CAPD framework.

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“…Butyric acid and water form an azeotrope, which is difficult to separate and inhibit esterification. According to the theory of chemical thermodynamics, entrainers form a binary or ternary azeotrope with water or one of the reactants to bring the water out of the reaction system in time, , breaking the thermodynamic equilibrium of the reaction and speeding up the reaction. − In addition, adding entrainers in reactive distillation can reduce the temperature of the reaction zone and protect the activity of the catalyst . The amount of entrainers, cost, impacts on the environment, and the ease of separation from the product are also important indicators for the choice of entrainers. − The common entrainers in the synthesis of isoamyl butyrate are n -hexane, cyclohexane, isoamyl alcohol, and n -heptane.…”

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Isobaric Vapor–Liquid Equilibrium of Isoamyl Alcohol, Cyclohexane, n-Hexane, and the n-Heptane + Isoamyl Butyrate Binary System at 101.3 kPa

et al. 2021

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Isoamyl butyrate is a common food additive. Water will be generated by esterification reaction in the process of its formation. Cyclohexane, n-hexane, and n-heptane are often selected as entrainers to remove water and promote the reaction. In this work, the vapor–liquid equilibrium data of the binary systems of isoamyl alcohol + isoamyl butyrate, cyclohexane + isoamyl butyrate, n-hexane + isoamyl butyrate, and n-heptane + isoamyl butyrate were determined by using a modified Rose vapor recirculating-type equilibrium still at 101.3 kPa. Fredenslund test and Van Ness point test methods are used to verify the thermodynamic consistency of the experimental vapor–liquid equilibrium data. In addition, three classical activity coefficient models, Wilson, NRTL, and UNIQUAC, were used to fit the isobaric vapor–liquid equilibrium data of four binary systems. The binary interaction parameters were obtained by regression of experimental data.

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Energy-efficient recovery of tetrahydrofuran and ethyl acetate by triple-column extractive distillation: entrainer design and process optimization

Cited by 52 publications

References 48 publications

Screening of Double Solvents Based on Multi-Index Evaluation Method for the Selective Separation m-Cresol from Model Oil

Screening of Double Solvents Based on Multi-Index Evaluation Method for the Selective Separation m-Cresol from Model Oil

Computer-Aided Design of a Perfluorinated Sulfonic Acid Proton Exchange Membrane Using Stochastic Optimization and Molecular Dynamic Method

Isobaric Vapor–Liquid Equilibrium of Isoamyl Alcohol, Cyclohexane, n-Hexane, and the n-Heptane + Isoamyl Butyrate Binary System at 101.3 kPa

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