1. Screening and design of COF-based mixed-matrix membrane for CH4/N2 separation
- Author
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Qingyuan Yang, Tongan Yan, Chongli Zhong, and Dahuan Liu
- Subjects
Mixed matrix ,Environmental Engineering ,Materials science ,Polydimethylsiloxane ,General Chemical Engineering ,General Chemistry ,Separation technology ,Biochemistry ,Membrane technology ,chemistry.chemical_compound ,Membrane ,Chemical engineering ,chemistry ,Gas separation ,Selectivity ,Covalent organic framework - Abstract
Membrane separation is a high-efficiency, energy-saving, and environment-friendly separation technology. Covalent organic framework (COF)-based mixed-matrix membranes (MMMs) have broad application prospects in gas separation and are expected to provide new solutions for coal-bed methane purification. Herein, a high-throughput screening method is used to calculate and evaluate COF-based MMMs for CH4/N2 separation. General design rules are proposed from thermodynamic and kinetic points of view using the computation-ready, experimental COFs. From our database containing 471671 generated COFs, 5 COF membrane materials were screened with excellent membrane selectivities, which were then used as the filler of MMMs for separation performance evaluation. Among them, BAR-NAP-Benzene_CF3 combined with polydimethylsiloxane and styrene-b-butadiene-b-styrene show high CH4 permeability of 4.43×10–13 mol·m·s–1·Pa–1·m–2 and high CH4/N2 selectivity of 9.54, respectively. The obtained results may provide reasonable information for the design of COF-based membranes for the efficient separation of CH4/N2.
- Published
- 2022