Computational simulation of self-cleaning carbon-based membranes with zeolite porous structure for desalination

YT Niu and K Meng and S Ming and H Chen and XH Yu and J Rong and XY Li, DIAMOND AND RELATED MATERIALS, 136, 109925 (2023).

DOI: 10.1016/j.diamond.2023.109925

The desalination of abundant seawater on earth to supplement the shortage of freshwater resources has been a consensus worldwide, and the innovation of desalination technology takes on more urgency. Currently, several carbon-based materials are considered to feature inherent metallicity. The exploitation of a sustainable anti-fouling desalination membrane utilizing such properties carries practical application advantages. Nevertheless, the engineering of the metallic carbon-based materials with reasonable structure and self-cleaning effect is still a struggle. A two-dimensional (2-D) carbon-based material with zeolite porous structure, PCS-C, consisting of dodecagonal, decagonal, hexagonal, and pentagonal carbon rings has been elaborately conceived by data driven. An interlinked delocalized pi-network, cleverly formed by uniformly distributed electrons, gives PCS-C its special self-cleaning properties. The periodic and diverse zeolite-like of the desalination membrane with not only significantly minimizes the real stress concentrations present, but also provides plentiful salt ion-selective adsorption sites. The rejection rates of Na+ and Cl- could be respectively maintain 97.7 % and 100 % at 135 MPa. These conclusions fleshed out the design strategies for desalination materials and highlighted the promise of multiporous 2-D carbon-based materials for high-performance desalination applications.

Return to Publications page