Study on selective extraction of nicotine by ionic liquids composite extractant and DFT calculation

doi:10.11949/0438-1157.20230327

Abstract

Abstract:

Aiming at the problem that ionic liquid has high viscosity and is not conducive to the separation of target substances in the application of extraction and separation, a strategy of ionic liquid-water composite extractant was proposed to extract nicotine from tobacco absolute. The extraction rate of nicotine by pure ionic liquids and ionic liquids-water composite extractant was investigated. Among them, [EMIm][BF₄] and [EMIm][BF₄]-H₂O composite extractants have higher extraction rates of nicotine, 97.8% and 96.5%, respectively. At the same time, the interaction between ionic liquids, water and nicotine was analyzed. The effects of ionic liquids content, extraction time and extraction temperature on the extraction rate of nicotine were investigated. Under the optimal extraction conditions, the cyclic extraction performance of ionic liquids for nicotine was tested. The results showed that the extraction rate of nicotine by [EMIm][BF₄]-H₂O composite extractant was still as high as 93.4% after 5 cycles of extraction, and the recovery rate of [EMIm][BF₄] was above 96%. Finally, the interaction strength of [EMIm][BF₄]-H₂O with nicotine and three main impurities (neophytadiene, ethyl hexadecanoate and linolenic acid) was analyzed, and the reason for the good selectivity of [EMIm][BF₄]-H₂O composite extractant to nicotine was explained.

Key words: ionic liquids, composite extractant, nicotine, extraction, separation, interaction force

摘要：

针对离子液体在萃取分离应用中存在的黏度大且不利于目标物分离的问题，提出了离子液体-水复合萃取剂的策略，用以萃取烟草净油中的尼古丁。考察了纯离子液体和离子液体-水复合萃取剂对尼古丁的萃取率。其中［EMIm］［BF₄］和［EMIm］［BF₄］-水复合萃取剂对尼古丁的萃取率较高，分别为97.8%和96.5%。同时，分析了离子液体、水以及尼古丁的相互作用。考察［EMIm］［BF₄］-水复合萃取剂中离子液体含量、萃取时间和萃取温度对尼古丁萃取率的影响。在最佳萃取条件下，测试了离子液体对尼古丁的循环萃取性能。结果表明，［EMIm］［BF₄］-水复合萃取剂在进行5次循环萃取后对尼古丁的萃取率仍然高达93.4%，且［EMIm］［BF₄］的回收率在96%以上。最后分析了［EMIm］［BF₄］-水与尼古丁和三种主要杂质（新植二烯、十六酸乙酯和亚麻酸）的相互作用强度，解释了［EMIm］［BF₄］-水复合萃取剂对尼古丁具有良好选择性的原因。

关键词: 离子液体, 复合萃取剂, 尼古丁, 萃取, 分离, 相互作用力

CLC Number:

TQ 028.8

Yuanliang ZHANG, Xinqi LUAN, Weige SU, Changhao LI, Zhongxing ZHAO, Liqin ZHOU, Jianmin CHEN, Yan HUANG, Zhenxia ZHAO. Study on selective extraction of nicotine by ionic liquids composite extractant and DFT calculation[J]. CIESC Journal, 2023, 74(7): 2947-2956.

张缘良, 栾昕奇, 苏伟格, 李畅浩, 赵钟兴, 周利琴, 陈健民, 黄艳, 赵祯霞. 离子液体复合萃取剂选择性萃取尼古丁的研究及DFT计算[J]. 化工学报, 2023, 74(7): 2947-2956.

Figures/Tables 11

Fig.1 Structure of ionic liquids and nicotine

Fig.2 Extraction efficiency of pure ionic liquid and water on nicotine and binding energy with nicotine

Fig.3 Configurations of pure ionic liquids and water molecules interacting with nicotine molecules

Fig.4 Extraction rate of nicotine and binding energy of nicotine with ionic liquids-water mixed extractant

Fig.5 Ionic liquid-water system and the configuration of the interaction between water molecules and nicotine molecules

Fig.6 Factors affecting the extraction rate of nicotine

Fig.7 Extraction rate and distribution coefficient of nicotine and impurities

Table 1 Extraction rate and binding energy of nicotine and impurities by ［EMIm］［BF4］-H2O

目标物	萃取率/%	分配系数	结合能/(kJ/mol)
尼古丁	96.4	267.7	40.1
新植二烯	13.6	11.6	11.5
十六酸乙酯	16.4	12.0	14.5
亚麻酸	14.8	11.7	12.2

Fig.8 The interaction isosurface of [EMIm][BF4]-H2O with nicotine and impurities

Fig.9 The extraction performance of [EMIm][BF4]-H2O composite extractant for nicotine and the recovery performance of [EMIm][BF4] in the extractant.

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