Abstract
AbstractThe separation of short‐chain hydrocarbon mixtures is of great significance for the efficient utilization of fossil energy. Liquid–liquid extraction, as one of the commonly used treatment methods, has significant advantages in terms of operation conditions and energy consumption. As a new dipolar aprotic solvent developed in recent years, dihydrolevoglucosenone (Cyrene) has a wide range of sources and a green composition. In this paper, the liquid–liquid equilibrium and extraction mechanism of Cyrene and five hydrocarbon mixtures with short carbon chains, including toluene/n‐heptane, toluene/cyclohexane, n‐hexane/cyclohexane, n‐pentane/pentene, and n‐hexane/hexene, have been studied by combining experiments and quantum chemical calculations, and the extraction effects under different conditions have been investigated. The results showed that the forces between Cyrene and the different solutes are mainly van der Waals (VDW) forces dominated by dispersion forces, with some weak hydrogen bonds present. Due to the difference in interaction energy, the order of extraction selectivity was toluene‐n‐heptane > toluene‐cyclohexane > n‐hexane‐hexene > n‐hexane‐cyclohexane > n‐pentane‐pentene, and the order of distribution coefficients of the extracted components (aromatics, olefins, and cycloalkanes) was toluene > pentene > hexene > cyclohexane. The dissolution processes of all systems were heat‐absorbing, and they all reached the extraction equilibrium within 60 s. The reliability of the experimental data was verified using the Othmer–Tobias equation and the Hand equation, and the binary interaction parameters of all systems were obtained by the non‐random two liquid (NRTL) model, providing basic data and references for the subsequent studies on the separation of Cyrene and short‐chain hydrocarbons.
Published Version
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