Extraction of C6 α-olefin against n-paraffin in coker naphtha with deep eutectic solvents: Quantum chemical calculations and experimental investigation

Fei Luo,Lihua Liu, Ximing Chen,Lanyi Sun

Journal of Molecular Liquids（2023）

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摘要

•The COSMO-SAC, GGIC, and quantum chemistry calculations were combined toward rationally screening DESs.•The quantum chemistry calculations were used to investigate the extraction mechanism.•The liquid − liquid equilibrium measurements were performed to validate the reliability of the screening results.

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关键词

Deep eutectic solvents,Solvent screening,Quantum chemical calculations,Liquid–liquid equilibrium measurements,1-hexene/n-hexane

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