Molecular mechanism and extraction performance evaluation of ionic liquids for extraction process of n-heptane/n-propanol

被引：31

作者：

Shen, Yuanyuan ^{[1
]}

Xu, Ying ^{[1
]}

Meng, Dapeng ^{[1
]}

Chen, Zhengrun ^{[1
]}

Li, Huiyuan ^{[1
]}

Zhang, Yanli ^{[1
]}

Zhu, Zhaoyou ^{[1
]}

Gao, Jun ^{[2
]}

Wang, Yinglong ^{[1
]}

机构：

[1] Qingdao Univ Sci & Technol, Coll Chem Engn, Qingdao 266042, Peoples R China

[2] Shandong Univ Sci & Technol, Coll Chem & Environm Engn, Qingdao 266590, Peoples R China

来源：

SEPARATION AND PURIFICATION TECHNOLOGY | 2021年 / 276卷 / 276期

基金：

中国国家自然科学基金;

关键词：

N-propanol; N-heptane; Mechanism analysis; Life cycle analysis; Liquid-liquid extraction; ALCOHOLS; DISTILLATION; PREDICTION; MIXTURES; MODEL; FUEL;

D O I：

10.1016/j.seppur.2021.119342

中图分类号：

TQ [化学工业];

学科分类号：

0817 ;

摘要：

The use of the n-propanol/n-heptane mixture is known to reduce the content of lead in gasoline. Based on the unique physical and chemical properties of ionic liquids (ILs), such as extremely low volatility, research on the IL-based extraction of azeotmpic systems has attracted increasing attention. In this study, experimental results were explained using theoretical analyses. sigma-profiles were constructed on the quantum chemistry calculation, and the figure showed that the formation of hydrogen bonds between the ILs and n-propanol was probed. The weak interaction between ILs and n-propanol was qualitatively analyzed using reduced-density-gradient function, electrostatic potential, and bond length analyses. The mechanism by which ILs promoted the separation of the n-propanol/n-heptane azeotmpic system was analyzed at the molecular level, thereby providing guidance for the selection of extractants. The liquid-liquid extraction process of n-propanol and n-heptane using [DMIM] [MP] as an extractant was established using the Aspen Plus software. The effects of the application of ILs in liquid-liquid extraction was simulated, and the results provided basic data and theoretical references for the practical application of ILs in azeotropic liquid-liquid extraction.

引用

页数：10

共 46 条

[1] Intermolecular hydrogen bond interactions in the thiourea/water complexes (Thio-(H2O)n) (n=1, ..., 5): X-ray, DFT, NBO, AIM, and RDG analyses [J].

Akman, Feride ;

Issaoui, Noureddine ;

Kazachenko, Aleksandr S. .

JOURNAL OF MOLECULAR MODELING, 2020, 26 (06)

[2]

[Anonymous], 2010, ELCD COR DAT VERS 2

[3] PROPERTIES OF ATOMS IN MOLECULES - ATOMIC VOLUMES [J].

BADER, RFW ;

CARROLL, MT ;

CHEESEMAN, JR ;

CHANG, C .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1987, 109 (26) :7968-7979

[4] Solvation numbers of alcohols in n-heptane and alcohols in n-propanol diluted liquid mixtures from the acoustic Pasynski method [J].

Burakowski, Andrzej ;

Glinski, Jacek .

CHEMICAL PHYSICS LETTERS, 2008, 453 (4-6) :178-182

[5] Computer-aided design and process evaluation of ionic liquids for n-hexane-methylcyclopentane extractive distillation [J].

Chao, He ;

Song, Zhen ;

Cheng, Hongye ;

Chen, Lifang ;

Qi, Zhiwen .

SEPARATION AND PURIFICATION TECHNOLOGY, 2018, 196 :157-165

[6] Liquid-liquid extraction of caprolactam from water using room temperature ionic liquids [J].

Chen, Dong-xuan ;

OuYang, Xiao-kun ;

Wang, Yang-guang ;

Yang, Li-ye ;

He, Chao-hong .

SEPARATION AND PURIFICATION TECHNOLOGY, 2013, 104 :263-267

[7] Comparison of heteroazeotropic and extractive distillation for the dehydration of propylene glycol methyl ether [J].

Chen, Yi-Chun ;

Yu, Bor-Yih ;

Hsu, Chung-Chih ;

Chien, I-Lung .

CHEMICAL ENGINEERING RESEARCH & DESIGN, 2016, 111 :184-195

[8] Extractive distillation of methylal/methanol mixture using the mixture of dimethylformamide (DMF) and ionic liquid as entrainers [J].

Dong, Yichun ;

Dai, Chengna ;

Lei, Zhigang .

FUEL, 2018, 216 :503-512

[9]

Ecoinvent centre, SWISS CTR LIF CYCL I

[10]

Freemantle M, 2010, INTRODUCTION TO IONIC LIQUIDS, P1

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