Mechanistic engineering of highly selective COF-OEt/PSS on the HKUST-1/PSS membrane for lithium-ion extraction

Abstract

The substantial and unexpected increase in the demand for electric vehicles that use lithium-ion batteries has disrupted the Li supply-demand balance. Although metal/covalent organic framework (MOF/COF) membranes have shown promising performance for ion separation, their Li-ion selectivities are not high enough to meet industrial requirements. Herein, we introduce a new concept of the COF-on-MOF system as an approach to boost the Li-ion selectivity. The mechanism and efficiency of the single MOF membrane that is made of HKUST-1 functionalized with polystyrenesulfonate (PSS) have been investigated using molecular simulation. The simulation selectivities for Li+/Na+, Li+/K+, and Li+/Mg2+ were found to be 3.25, 3.5, and 6.5, respectively. The addition of the PSS-functionalized COF-OEt layer to HKUST-1/PSS provided a chance to control the membrane’s pore size, electrostatic interactions on the atomic scale, and membrane-ions interactions. COF-OEt/PSS on HKUST-1/PSS showed a jump in Li+/Na+, Li+/K+, and Li+/Mg2+ selectivities of more than 143, 338, and 837, respectively. The concept of this study can be extended to other MOF and COF types, which will open up a new avenue of research for the design of ion-selective membranes.

RAS ID

64655

Document Type

Journal Article

Date of Publication

1-1-2023

School

School of Engineering

Copyright

subscription content

Publisher

ACS

Comments

Maleki, R., Khedri, M., Chellehbari, Y. M., Golmohammadi, M., Rezvantalab, S., Cha-umpong, W., & Razmjou, A. (2023). Mechanistic engineering of highly selective COF-OEt/PSS on the HKUST-1/PSS membrane for lithium-ion extraction. Industrial & Engineering Chemistry Research, 62(44), 18612-18620. https://doi.org/10.1021/acs.iecr.3c02354

Link to Full Text

Share

 
COinS
 

Link to publisher version (DOI)

10.1021/acs.iecr.3c02354