The extraction of aromatics using N-methylpyrrolidone: Liquid-liquidequilibrium determination and mechanism exploration  

作　　者：Yanjing Li Shilong Dong Lili Wang Xiaoyan Sun Wenying Zhao Shuguang Xiang 

机构地区：[1]College of Chemical Engineering,Qingdao University of Science and Technology,Qingdao 266042,China [2]College of Chemistry and Chemical Engineering,Qilu Normal University,Jinan 250200,China

出　　处：《Chinese Journal of Chemical Engineering》2023年第12期117-127,共11页中国化学工程学报（英文版）

基　　金：the National Natural Science Foundation of China(22178190);the National Youth Natural Science Foundation of China(CN)(22008129).

摘　　要：LLE data of cyclooctane/3-methylpentane + benzene/toluene + N-methylpyrrolidone (NMP) at 298.15 Kand 313.15 K under a pressure of 101.3 kPa were measured in this work. The Othmer-Tobias and Handequations were adopted to validate the reliability of LLE data, where the correlation coefficients (R2) wereclose to unity, indicating the high reliability of the experimental data. The experimental data were analyzed using the distribution coefficient (D) and separation factor (S), and the effect of NMP extracting benzene and toluene from aromatics was explored. Meanwhile, the reason for the different extractionefficiencies of benzene and toluene using NMP was analyzed by quantum chemical calculations. TheNRTL and UNIQUAC thermodynamic models were used to correlate the liquid–liquid equilibrium data,and the relevant binary interaction parameters were obtained. The calculated root mean square deviation(RMSD) were all less than 0.0063, indicating that the obtained binary interaction parameters can be usedto simulate and calculate the extraction of aromatics using NMP.

关 键 词：EXTRACTION Liquid-liquid equilibrium Thermodynamic models Quantum chemistry calculation 

分 类 号：TQ028.32[化学工程]