COSMO-RS based ionic liquid screening for the separation of acetonitrile and ethanol azeotropic mixture
文献类型：期刊论文
| 作者 | Zhang, Zhigang1; Lu, Ruizhe1; Zhang, Qinqin1,2; Chen, Jinling1; Li, Wenxiu1 |
| 刊名 | JOURNAL OF CHEMICAL TECHNOLOGY AND BIOTECHNOLOGY
 |
| 出版日期 | 2020-01-21 |
| 页码 | 12 |
| 关键词 | ionic liquid acetonitrile-ethanol separation COSMO-RS vapor-liquid equilibrium reduce density gradient |
| ISSN号 | 0268-2575 |
| DOI | 10.1002/jctb.6305 |
| 英文摘要 | 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 |
| WOS关键词 | DILUTION ACTIVITY-COEFFICIENTS ; HYDROGEN-BONDING INTERACTIONS ; INFINITE DILUTION ; PHYSICOCHEMICAL PROPERTIES ; EXTRACTIVE DISTILLATION ; ELECTRON LOCALIZATION ; ORGANIC SOLUTES ; CO2 CAPTURE ; IMIDAZOLIUM ; EQUILIBRIUM |
| 资助项目 | National Science Foundation of China[21978173] ; National Science Foundation of China[21576166] |
| WOS研究方向 | Biotechnology & Applied Microbiology ; Chemistry ; Engineering |
| 语种 | 英语 |
| WOS记录号 | WOS:000508260900001 |
| 出版者 | WILEY |
| 资助机构 | National Science Foundation of China |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/38834]  |
| 专题 | 中国科学院过程工程研究所 |
| 通讯作者 | Zhang, Qinqin; Li, Wenxiu |
| 作者单位 | 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 |
| 推荐引用方式 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. |
入库方式： OAI收割
来源：过程工程研究所
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