Study on selective extraction of nicotine by functionalized ionic liquid and DFT calculations
The traditional process uses organic solvents to extract nicotine from tobacco,which has caused great harm to human body and environment.In this work,functionalized imidazolium ionic liquids were used as extractants to extract nicotine from tobacco absolute.The influence of cationic side chain functional groups of ionic liquids on the extraction of nicotine was investigated.At the same time,the binding energy of different functionalized ionic liquids with nicotine was calculated by quantum chemical calculation,and the interaction between ionic liquids and nicotine was analyzed.The results show that the ionic liquids side chain functional group has a steric hindrance effect on the interaction between nicotine and ionic liquids.The smaller the steric hindrance is,the greater the binding energy of ionic liquid and nicotine is,and the higher the extraction rate of nicotine.The extraction rate of nicotine by[HOEMIm][BF4]is the highest,about 97.2％.In addition,the interaction of ionic liquid[HOEMIm][BF4]with nicotine and three main impurities(neophytadiene,ethyl hexadecanoate and linolenic acid)is analyzed from a molecular perspective.It is found that the binding energies of[HOEMIm][BF4]with the three impurities 15.3,10.1,20.9 kJ/mol,respectively,while that with nicotine is 42.0 kJ/mol.It is much larger than the binding energy of the ionic liquid with three impurities.The research content of this paper shows that using ionic liquid[HOEMIm][BF4]as extractant not only has high extraction rate and good extraction selectivity for nicotine,but also avoids the use of volatile organic solvents and reduces the harm to human body and environment.
ionic liquidnicotineextraction processbinding energy
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维普
