Nitrous oxide (NO), as the third largest greenhouse gas in the world, also has great applications in industry, so the purification of NO from N in industrial tail gas is a crucial process for achieving environmental protection and giving full play to its economic value. Based on the polarity difference of NO and N, NO adsorption was researched on DMOF series materials with different polarities and methyl numbers of the ligand. NO adsorption at 0.1 bar is enhanced, attributed to an increase of the methyl group densities at the benzenedicarboxylate linker. Grand canonical Monte Carlo simulations demonstrate the key role of methyl groups within the pore surface in the preferential NO affinity. Methyl groups preferentially bind to NO and thus enhanced low (partial) pressure NO adsorption and NO/N separation. The result shows that DMOF-TM has the highest NO adsorption capacity (19.6 cm/g) and NO/N selectivity (23.2) at 0.1 bar. Breakthrough experiments show that, with an increase of the methyl number, the coadsorption time and retention time also increase, and DMOF-TM has the best NO/N separation performance.
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| http://dx.doi.org/10.1021/acs.inorgchem.4c01452 | DOI Listing |
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