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Research Article | Open Access

Pore engineering of ZIF-8 with ionic liquids for membrane-based CO2 separation: bearing functional group effect

Zhengqing Zhang, Xuemeng Jia, Yuxiu Sun( ), Xiangyu Guo, Hongliang Huang, Chongli Zhong( )
State Key Laboratory of Separation Membranes and Membrane Processes and School of Chemistry and Chemical Engineering, Tiangong University, Tianjin, 300387, China
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HIGHLIGHTS

● The effect of functional groups of ILs in IL@MOF on adsorption was investigated using molecular simulation.

● NH2-IL@ZIF-8 exhibited the highest CO2 affinity and CO2/CH4 adsorptive selectivity, which was verified by experiments.

● NH2-IL@ZIF-8/Pebax exhibited superior CO2 selectivity without losing high CO2 permeability for CO2/CH4 separation.

● A research mode of combining molecular simulation prediction and experimental verification was proposed.

Graphical Abstract

Abstract

CO2 separation performance of polymer membranes can be significantly enhanced by selecting porous fillers with high CO2 affinity. Ionic liquids incorporation has been recognized as an effective strategy for improving the separation ability of pristine porous fillers. However, the influence of the specific functional groups of ILs in IL@MOF composites on separation performance of MMMs still remains unclear. Herein, we designed three microenvironment-tuned IL@ZIF-8 composites in which the three ILs contain different functional groups (-CH3, –SO3H, and –NH2). Molecular simulation results showed that the NH2-IL@ZIF-8 has a commendable CO2 adsorption capacity and CO2/CH4 adsorptive selectivity, and the results were well confirmed by the following experimental data. More importantly, the prepared NH2-IL@ZIF-8 based MMMs also exhibit superior CO2 separation performance among the three IL@ZIF-8 based MMMs owning to its high CO2 affinity. Thus, this work can provide guidance for designing IL@MOF composites for MMMs fabrication towards gas separation, and the research mode combining molecular simulation prediction and experimental verification can afford valuable reference for material development in membrane separation field.

Keywords

Molecular simulationGas separationIonic liquidsZIF-8Mixed-matrix membranes (MMMs)

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Green Chemical Engineering
Volume 2 Issue 1,
March 2021
Pages 104-110
DOI: 10.1016/j.gce.2020.10.007
Cite this article:
Zhang Z, Jia X, Sun Y, et al. Pore engineering of ZIF-8 with ionic liquids for membrane-based CO2 separation: bearing functional group effect. Green Chemical Engineering, 2021, 2(1): 104-110. https://doi.org/10.1016/j.gce.2020.10.007

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Received: 09 September 2020
Revised: 20 October 2020
Accepted: 21 October 2020
Published: 20 November 2020
© 2020 Institute of Process Engineering, Chinese Academy of Sciences.

This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/).
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