Ionic liquid screening for dichloromethane absorption by multi-scale simulations
文献类型：期刊论文
| 作者 | Wu, Zhixing1,2; Shi, Sensen1,2; Zhan, Guoxiong1,2; Chang, Fei1,2; Bai, Yinge1,3; Zhang, Xiangping1,2; Wu, Jeffery C. S.4; Zeng, Shaojuan1 |
| 刊名 | SEPARATION AND PURIFICATION TECHNOLOGY
 |
| 出版日期 | 2021-11-15 |
| 卷号 | 275页码:12 |
| ISSN号 | 1383-5866 |
| 关键词 | Ionic liquids Dichloromethane absorption COSMO-RS Process simulation |
| DOI | 10.1016/j.seppur.2021.119187 |
| 英文摘要 | Ionic liquids (ILs) have been proposed as potential solvents for absorbing dichloromethane (DCM), while screening a promising IL with high absorption performances from numerous ILs remains challenging. In this work, a framework of multi-scale investigation on DCM absorption using ILs was established. A screening method based on COSMO-RS model that optimized by 79 reported experimental data points was proposed, and the effect of cationic and anionic structures on DCM absorption and the mechanisms were systematically studied combining quantum chemical calculation. Based on the above results, 1-ethyl-1-methylpiperidinium acetate ([C(2)MPip] [C1COO]) was determined as the optimal IL for DCM absorption with Henry's Constant of 3.29 kPa. The screened IL was further evaluated through process simulation comparing to the conventional IL and traditional organic solvent. The annual variable operation cost of [C(2)MPip] [C1COO]-based process for DCM absorption was the lowest among the studied cases, showing broad prospects in applications. |
| WOS关键词 | VOLATILE ORGANIC-COMPOUNDS ; ACTIVITY-COEFFICIENTS ; INFINITE DILUTION ; THERMODYNAMIC PROPERTIES ; CORRELATION-ENERGY ; POLAR SOLUTES ; PREDICTION ; SEPARATION ; APPROXIMATION ; SOLUBILITIES |
| 资助项目 | International (Regional) Cooperation and Exchange of the National Natural Science Foundation of China[21961160744] ; Major Program of National Natural Science Foundation of China[21890764] ; Science Fund for Creative Research Groups of the National Natural Science Foundation of China[21921005] ; Henan Major Science and Technology Project[201300310900] ; Natural Science Foundation of Henan[202300410004] ; Ministry of Science and Technology, Taiwan[108-2218-E-002-066-MY3] |
| WOS研究方向 | Engineering |
| 语种 | 英语 |
| 出版者 | ELSEVIER |
| WOS记录号 | WOS:000696798900004 |
| 资助机构 | International (Regional) Cooperation and Exchange of the National Natural Science Foundation of China ; Major Program of National Natural Science Foundation of China ; Science Fund for Creative Research Groups of the National Natural Science Foundation of China ; Henan Major Science and Technology Project ; Natural Science Foundation of Henan ; Ministry of Science and Technology, Taiwan |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/50190]  |
| 专题 | 中国科学院过程工程研究所 |
| 通讯作者 | Bai, Yinge; Zeng, Shaojuan |
| 作者单位 | 1.Chinese Acad Sci, Beijing Key Lab Ion Liquids Clean Proc, Proc Inst Proc Engn, State Key Lab Multiphase Complex Syst, Beijing 100190, Peoples R China 2.Univ Chinese Acad Sci, Coll Chem & Engn, Beijing 100049, Peoples R China 3.Zhengzhou Inst Emerging Ind Technol, Zhengzhou 450000, Peoples R China 4.Natl Taiwan Univ, Dept Chem & Engn, Taipei 10617, Taiwan |
| 推荐引用方式 GB/T 7714 | Wu, Zhixing,Shi, Sensen,Zhan, Guoxiong,et al. Ionic liquid screening for dichloromethane absorption by multi-scale simulations[J]. SEPARATION AND PURIFICATION TECHNOLOGY,2021,275:12. |
| APA | Wu, Zhixing.,Shi, Sensen.,Zhan, Guoxiong.,Chang, Fei.,Bai, Yinge.,...&Zeng, Shaojuan.(2021).Ionic liquid screening for dichloromethane absorption by multi-scale simulations.SEPARATION AND PURIFICATION TECHNOLOGY,275,12. |
| MLA | Wu, Zhixing,et al."Ionic liquid screening for dichloromethane absorption by multi-scale simulations".SEPARATION AND PURIFICATION TECHNOLOGY 275(2021):12. |
入库方式： OAI收割
来源：过程工程研究所
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