胆碱衍生物类低共熔溶剂对酚类化合物的分离性能
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摘要
酚类化合物是一类重要的化工产品。在传统的分离过程中,通常会使用能够引起严重环境问题的强酸和强碱~([1])。近年来的研究表明,油中的苯酚可以通过与季铵盐形成低共融溶剂而被分离出来~([2])。本文研究了胆碱衍生物盐[N_(1,1,n)C_2OH]Cl(n=1,4,6,8)对26种酚类化合物的萃取性能,并利用远红外光谱和密度泛函计算,研究了萃取过程的主要驱动力。通过分析实验结果,得到以下主要结论:1.酚类化合物的结构对萃取效率有较大的影响,通过一步萃取,有16种酚类化合物可以从甲苯中萃取出来,根据酚类化合物取代基的性质、位置和数目的不同,一次萃取率从28.1%变化到94.7%。2.萃取效率随胆碱盐阳离子烷基链(n=1,4,6)的增长而显著增大,但当n=8时,离子液体和甲苯之间的作用力显著增强,使二者完全混溶,不能用来萃取酚类化合物。3.光谱和理论计算结果表明,酚类化合物和胆碱盐之间形成的氢键是萃取分离的主要驱动力。
In this work,choline derivative salts[N_(1,1,n)C_2OH]Cl(n= 1,4,6,8) have been used as new extractants for the separation of 26 kinds of phenolic compounds from model oil(toluene) by forming deep eutectic solvents(DESs).It is found that only 16 kinds of phenolic compounds can be removed from toluene with single-step removal efficiency from 28.1 to 94.7%,strongly depending on the chemical structure of phenolic compounds.The nature,position and number of substituent groups in the phenolic compounds have a great effect on their removal efficiency.Far infrared spectroscopy calculations indicate that hydrogen bonds formed between-OH of the phenolic compounds and anion of the choline derivative salts is the main driving force for such a DES-based separation.The correlation observed experimentally between structure of phenolic compounds and their removal efficiencies has been discussed from hydrogen bonding in DESs,electrostatic interaction of cation and anion of the choline salts,and solvation of the phenolic compounds and choline salts in toluene.
引文
[1]Matsumura,A.,Sato,S.,Kodera,Y.,Saito,I.,and Ukegawa,K.Fuel Proces.Technol.2000,68:13.
    [2]Pang,K.,Hou,Y.,Wu,W.,Guo,W.,Peng,W.,and Marsh,K.N.Green Chem.2012,14:2398.

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