3D porous polymers for selective removal of CO2 and H2 storage: experimental and computational studies

Frontiers in Chemistry

Chemistry

Muath S. Al-Bukhari¹  Othman Charles S. Al Hamouz²  Mahmoud M. Abdelnaby³  Ismail Abdulazeez⁴  Isam H. Aljundi⁵ 

[1] Chemistry Department, King Fahd University of Petroleum and Minerals, Dhahran, Saudi Arabia;Chemistry Department, King Fahd University of Petroleum and Minerals, Dhahran, Saudi Arabia;Interdisciplinary Research Center for Hydrogen and Energy Storage, King Fahd University of Petroleum and Minerals, Dhahran, Saudi Arabia;Interdisciplinary Research Center for Hydrogen and Energy Storage, King Fahd University of Petroleum and Minerals, Dhahran, Saudi Arabia;Interdisciplinary Research Center for Membranes and Water Security, King Fahd University of Petroleum and Minerals, Dhahran, Saudi Arabia;Interdisciplinary Research Center for Membranes and Water Security, King Fahd University of Petroleum and Minerals, Dhahran, Saudi Arabia;Chemical Engineering Department, King Fahd University of Petroleum and Minerals, Dhahran, Saudi Arabia;

关键词: 3D porous polymers;    global warming;    flue gas purification;    CO capture;    H storage;   

DOI  :  10.3389/fchem.2023.1265324

 received in 2023-07-22, accepted in 2023-08-24,  发布年份 2023

来源: Frontiers

【 摘 要 】

In this article, newly designed 3D porous polymers with tuned porosity were synthesized by the polycondensation of tetrakis (4-aminophenyl) methane with pyrrole to form M1 polymer and with phenazine to form M2 polymer. The polymerization reaction used p-formaldehyde as a linker and nitric acid as a catalyst. The newly designed 3D porous polymers showed permanent porosity with a BET surface area of 575 m2/g for M1 and 389 m2/g for M2. The structure and thermal stability were investigated by solid 13C-NMR spectroscopy, Fourier-transform infrared (FT-IR) spectroscopy, and thermogravimetric analysis (TGA). The performance of the synthesized polymers toward CO2 and H2 was evaluated, demonstrating adsorption capacities of 1.85 mmol/g and 2.10 mmol/g for CO2 by M1 and M2, respectively. The importance of the synthesized polymers lies in their selectivity for CO2 capture, with CO2/N2 selectivity of 43 and 51 for M1 and M2, respectively. M1 and M2 polymers showed their capability for hydrogen storage with a capacity of 66 cm3/g (0.6 wt%) and 87 cm3/g (0.8 wt%), respectively, at 1 bar and 77 K. Molecular dynamics (MD) simulations using the grand canonical Monte Carlo (GCMC) method revealed the presence of considerable microporosity on M2, making it highly selective to CO2. The exceptional removal capabilities, combined with the high thermal stability and microporosity, enable M2 to be a potential material for flue gas purification and hydrogen storage.

【 授权许可】

Unknown   
Copyright © 2023 Al-Bukhari, Abdulazeez, Abdelnaby, Aljundi and Al Hamouz.