Monolithic polar conjugated microporous polymers: Optimisation of adsorption capacity and permeability trade-off based on process simulation of flue gas separation

• Published in: Chemical engineering journal (Lausanne, Switzerland : 1996) Switzerland : 1996), 2024-09, Vol.495, p.153538, Article 153538
• Main Authors: Lei, Yang, Li, Zhen, Wang, Shaozhen, Jiang, Yanli, Chai, Baodui, Cui, Mengjiao, Guo, Yu, Li, Yang, Ma, Jing-xin, Zhao, Li
• Format: Article
• Language: English
• Subjects: CO2/N2 separation; Electrostatic interaction; Low penetration resistance; Oxygen-rich active site; Simulation visualization
• ISSN: 1385-8947
• DOI: 10.1016/j.cej.2024.153538

The precise anchoring of polar oxygen adsorption sites within the π-conjugated framework enabled the successful synthesis of monolithic oxygen-enriched conjugated microporous polymers (O-CMPs). The design considerations accounted for the optimization between adsorption capacity and gas permeation resistance, rendering the monolithic O-CMPs viable for the efficient capture of CO2 and particulate matter (PM) in industrial waste gas streams. Oxygen doping induces a redistribution of surface charges in O-CMPs, leading to a significant enhancement of their affinity towards CO2 and PM across the extensively distributed microporous system. The monolithic structure of O-CMPs enables the construction of a hierarchical porous system, forming highly efficient mass transfer channels. Furthermore, the strong moisture resistance and acid-base resistance of O-CMPs ensures their stable adsorption performance in the complex flue gas environment. Visualization simulation analysis of the capture process was conducted to validate the optimization and reliability of the design strategy for O-CMPs in balancing the adsorption capacity and permeability. [Display omitted] •O-CMPs demonstrate remarkable performance in both CO2 separation and PM capture.•Moisture, acid, and alkali resistance of O-CMPs enables the stable capture capacity.•Oxygen doping enhances the electrostatic capabilities and dipole properties of O-CMPs.•Monolithic O-CMPs strike a balance between adsorption capacity and permeability.•Simulate exhaust filtration to verify O-CMPs’ effectiveness in capturing CO2 and PM. The challenge in developing porous materials that significantly reduce energy consumption in industrial gas separation lies in striking a balance between adsorption capacity and permeability. Herein, the precise anchoring of polar oxygen adsorption sites in a robust porous conjugated backbone is achieved through the directed self-assembly of building blocks, resulting in the formation of oxygen-enriched conjugated microporous polymers (O-CMPs). O-CMPs serve as attractive porous hosts for the synergistic separation of CO2 and PM in exhaust gases emitted from point sources. As analyzed by surface electrostatic potential, the introduction of oxygen-doped π-conjugated systems induced surface charge redistribution, enhancing the CO2 quadrupole-dipole effect within a widely distributed microporous network. The O-CMPs exhibited a high CO2 adsorption capacity of 125.84 mg/g at 273 K and 1.0 bar. The monolithi