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| COSMO-RS based ionic liquid screening for the separation of acetonitrile and ethanol azeotropic mixture | |
| Zhang, Zhigang1; Lu, Ruizhe1; Zhang, Qinqin1,2; Chen, Jinling1; Li, Wenxiu1 | |
| 2020-01-21 | |
| Source Publication | JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY
 |
| ISSN | 0268-2575 |
| Pages | 12 |
| Abstract | BACKGROUND The selection of competent entrainer is very important for separating azeotrope systems by extractive distillation. Ionic liquids (ILs) are outstanding entrainers due to their excellent properties. However, it is time-consuming to choose suitable ILs from the huge database of anions and cations. Herein, the selectivity and viscosity of ILs were combined as double standards to select suitable ILs for the separation of acetonitrile and ethanol mixture. RESULTS The selectivity and viscosity of 450 ILs (25 cations and 18 anions) were predicted based on Conductor-like Screening Model for Real Solvents (COSMO-RS). 1-Butyl-3-methylimidazolium acetate [BMIM][Ac] was selected as a potential entrainer due to its higher selectivity and lower viscosity and [BMIM][Cl] was chosen as a comparison item as ILs with [Cl](-) anion have separation performance next to [Ac](-)-based ILs. The vapor-liquid equilibrium (VLE) data of the acetonitrile + ethanol + ILs systems were determined at 101.3 kPa and correlated with the non-random two-liquid (NRTL) model. The result showed that the addition of the two ILs produced a salting-out effect on acetonitrile and enhanced the relative volatility of acetonitrile to ethanol. Furthermore, [BMIM][Ac] exhibited better separation performance than [BMIM][Cl] and our previous reported ILs, which are consistent with the predicted results. The reduced density gradient (RDG) method indicated that hydrogen bonding dominated the interactions between ethanol and IL. CONCLUSION [BMIM][Ac] is a superior entrainer for the separation of acetonitrile-ethanol azeotrope. Compared to the previously studied ILs, there is a stronger hydrogen bond between ethanol and [BMIM][Ac]. This makes ethanol 'bundled' and acetonitrile more volatile, resulting in the superior separation performance of [BMIM][Ac]. (c) 2019 Society of Chemical Industry |
| Keyword | ionic liquid acetonitrile-ethanol separation COSMO-RS vapor-liquid equilibrium reduce density gradient |
| DOI | 10.1002/jctb.6305 |
| Language | 英语 |
| WOS Keyword | DILUTION ACTIVITY-COEFFICIENTS ; HYDROGEN-BONDING INTERACTIONS ; INFINITE DILUTION ; PHYSICOCHEMICAL PROPERTIES ; EXTRACTIVE DISTILLATION ; ELECTRON LOCALIZATION ; ORGANIC SOLUTES ; CO2 CAPTURE ; IMIDAZOLIUM ; EQUILIBRIUM |
| Funding Project | National Science Foundation of China[21978173] ; National Science Foundation of China[21576166] |
| WOS Research Area | Biotechnology & Applied Microbiology ; Chemistry ; Engineering |
| WOS Subject | Biotechnology & Applied Microbiology ; Chemistry, Multidisciplinary ; Engineering, Environmental ; Engineering, Chemical |
| Funding Organization | National Science Foundation of China |
| WOS ID | WOS:000508260900001 |
| Publisher | WILEY |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.ipe.ac.cn/handle/122111/38835 |
| Collection | 中国科学院过程工程研究所 |
| Corresponding Author | Zhang, Qinqin; Li, Wenxiu |
| Affiliation | 1.Shenyang Univ Chem Technol, Liaoning Prov Key Lab Chem Separat Technol, Shenyang, Peoples R China 2.Chinese Acad Sci, Beijing Key Lab Ion Liquids Clean Proc, Inst Proc Engn, Beijing, Peoples R China |
| Recommended Citation GB/T 7714 | Zhang, Zhigang,Lu, Ruizhe,Zhang, Qinqin,et al. COSMO-RS based ionic liquid screening for the separation of acetonitrile and ethanol azeotropic mixture[J]. JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY,2020:12. |
| APA | Zhang, Zhigang,Lu, Ruizhe,Zhang, Qinqin,Chen, Jinling,&Li, Wenxiu.(2020).COSMO-RS based ionic liquid screening for the separation of acetonitrile and ethanol azeotropic mixture.JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY,12. |
| MLA | Zhang, Zhigang,et al."COSMO-RS based ionic liquid screening for the separation of acetonitrile and ethanol azeotropic mixture".JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY (2020):12. |
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