Entropy driving highly selective CO2 separation in nanoconfined ionic liquids
文献类型：期刊论文
| 作者 | Wang, Chenlu2,3; Wang, Yanlei2,3; Liu, Ju2; Wang, Mi1,2; Gan, Zhongdong2; He, Hongyan2,3,4 |
| 刊名 | CHEMICAL ENGINEERING JOURNAL
 |
| 出版日期 | 2022-07-15 |
| 卷号 | 440页码:9 |
| 关键词 | CO 2 separation Ionic liquids Nanoconfinement Thermodynamical property Molecular dynamics simulation |
| ISSN号 | 1385-8947 |
| DOI | 10.1016/j.cej.2022.135918 |
| 英文摘要 | Nowadays, the global greenhouse effect has led to the imminent development of CO2 capture, separation, and storage technologies. Hybrid membranes with nanoconfined ionic liquids (ILs) show great potential for CO2 separation, but the intrinsic mechanism is still obscure. Herein, the thermodynamical properties and solvating processes of CO2 and CH4 in ILs confined in graphene oxide were studied via performing massive molecular dynamics simulations. It was first identified that selectivity rises from 25.01 to 149.20 as the interlayer distance decreases from 3.00 to 1.50 nm, showing an ultrahigh separating selectivity. Interestingly, the solubility of CO2 in confined ILs increases by almost two orders of magnitude compared with that in bulk ILs, which is far larger than CH4 in confined ILs. The high solubility mainly originates from the fact that the confined ILs can induce the structure rearrangement and provide abundant CO2 adsorbing sites, raising the configurational entropy of CO2 in the confined ILs, and further driving the high separation selectivity of CO2 over CH4. Finally, quantitative relations between solubility, diffusion capacity, permeability, selectivity, and structural entropy of gas in confined ILs are constructed, which are meaningful for the theoretical understanding, rational design, and applications of highly efficient and low-cost separation of CO2. |
| WOS关键词 | MOLECULAR-DYNAMICS ; CARBON-DIOXIDE ; GAS SEPARATION ; FORCE-FIELD ; SOLUBILITY ; MEMBRANES ; TETRAFLUOROBORATE ; TEMPERATURE ; DIFFUSIVITY ; SIMULATION |
| 资助项目 | National Key R&D Program of China[2021YFB3802600] ; National Natural Science Foundation of China[21922813] ; National Natural Science Foundation of China[22178344] ; National Natural Science Foundation of China[22078322] ; National Natural Science Foundation of China[21978293] ; Youth Innovation Promotion Association of CAS[2021046] ; Youth Innovation Promotion Association of CAS[Y2021022] ; Fund of State Key Laboratory of Multiphase Complex Systems[MPCS-2021-A7] ; Fund of State Key Laboratory of Multiphase Complex Systems[MPCS-2021-A-10] ; DNL Cooperation Fund, CAS[DNL180202] |
| WOS研究方向 | Engineering |
| 语种 | 英语 |
| WOS记录号 | WOS:000795061400001 |
| 出版者 | ELSEVIER SCIENCE SA |
| 资助机构 | National Key R&D Program of China ; National Natural Science Foundation of China ; Youth Innovation Promotion Association of CAS ; Fund of State Key Laboratory of Multiphase Complex Systems ; DNL Cooperation Fund, CAS |
| 源URL | [http://ir.ipe.ac.cn/handle/122111/53686]  |
| 专题 | 中国科学院过程工程研究所 |
| 通讯作者 | Wang, Yanlei; He, Hongyan |
| 作者单位 | 1.Innovat Acad Green Manufacture, Chinese Acad Sci, Beijing 100190, Peoples R China 2.Inst Proc Engn, Chinese Acad Sci, Beijing Key Lab Ion Liquids Clean Proc, State Key Lab Multiphase Complex Syst, Beijing 100190, Peoples R China 3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 4.Dalian Natl Lab Clean Energy, Dalian 116023, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, Chenlu,Wang, Yanlei,Liu, Ju,et al. Entropy driving highly selective CO2 separation in nanoconfined ionic liquids[J]. CHEMICAL ENGINEERING JOURNAL,2022,440:9. |
| APA | Wang, Chenlu,Wang, Yanlei,Liu, Ju,Wang, Mi,Gan, Zhongdong,&He, Hongyan.(2022).Entropy driving highly selective CO2 separation in nanoconfined ionic liquids.CHEMICAL ENGINEERING JOURNAL,440,9. |
| MLA | Wang, Chenlu,et al."Entropy driving highly selective CO2 separation in nanoconfined ionic liquids".CHEMICAL ENGINEERING JOURNAL 440(2022):9. |
入库方式： OAI收割
来源：过程工程研究所
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