Deciphering the intermolecular interactions for separating bicyclic and tricyclic aromatics via different naphthalene-based solvents  

作　　者：Pengzhi Bei Antony Rajendran Jie Feng Wen-Ying Li 

机构地区：[1]State Key Laboratory of Clean and Efficient Coal Utilization,Taiyuan University of Technology,Taiyuan 030024,China [2]Department of Chemistry,Mepco Schlenk Engineering College,Sivakasi 626005,India

出　　处：《Frontiers of Chemical Science and Engineering》2024年第10期27-37,共11页化学科学与工程前沿（英文版）

基　　金：financial support provided by the National Natural Science Foundation of China(Grant No.22038008);the China Shenhua Coal-to-Liquids Chemical Co.,Ltd.Science and Technology Innovation Project(Grant No.MZYHG-2021-01).

摘　　要：The traditional separation of bicyclic and tricyclic aromatics from coal tar involves complicated multi-steps and consumes significantly more energy.Previous work accomplished the separation between anthracene-phenanthrene isomers using electrostatic interaction,but for the separation between bicyclic and tricyclic aromatics,electrostatic interactions are difficult to produce a recognizable effect.Naphthalene-based solvents,named as naphthaleneacetamide,naphthaleneethanol,naphthalenemethanol,naphthol,naphthylacetic acid,naphthylacetonitrile,and naphthylamine,respectively,were used for the efficient separation of naphthalene and phenanthrene via dispersion interaction.Results showed that the pre-studied structural parameters are the key factors in selecting an efficient solvent.And the substituents on the intermolecular interactions involved in the separation processes had an important impact,which were evaluated.Naphthalenemethanol exhibited a superior performance with a purity of 96.3 wt%naphthalene products because its electron-donating substituent enables the selective recognition of naphthalene via the dispersion interaction.The used naphthalene-based solvents can be regenerated and recycled via back extraction with a purity of over 90 wt%naphthalene products,suggesting solvent structural stability during the regeneration processes.Notably,the naphthalene-based solvents also demonstrated better separation performance for polycyclic aromatics from coal tar with a purity of over 80 wt%for bicyclic aromatics.This study would enhance the utilization of coal tar as a valuable source of polycyclic aromatics besides broadening the knowledge for applying non-bonded interaction in the separation of polycyclic aromatics technologies.

关 键 词：separation mechanism dispersion interaction coal tar polycyclic aromatic hydrocarbons 

分 类 号：TQ241.13[化学工程—有机化工]