{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,16]],"date-time":"2026-09-16T00:05:01Z","timestamp":1789517101523,"version":"build-2803163510"},"reference-count":60,"publisher":"Frontiers Media SA","license":[{"start":{"date-parts":[[2023,9,7]],"date-time":"2023-09-07T00:00:00Z","timestamp":1694044800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100004055","name":"King Fahd University of Petroleum and Minerals","doi-asserted-by":"publisher","id":[{"id":"10.13039\/501100004055","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["frontiersin.org"],"crossmark-restriction":true},"short-container-title":["Front. Chem."],"abstract":"<jats:p>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 <jats:bold>M1<\/jats:bold> polymer and with phenazine to form <jats:bold>M2<\/jats:bold> polymer. The polymerization reaction used <jats:italic>p<\/jats:italic>-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\u00a0m<jats:sup>2<\/jats:sup>\/g for <jats:bold>M1<\/jats:bold> and 389\u00a0m<jats:sup>2<\/jats:sup>\/g for <jats:bold>M2<\/jats:bold>. The structure and thermal stability were investigated by solid <jats:sup>13<\/jats:sup>C-NMR spectroscopy, Fourier-transform infrared (FT-IR) spectroscopy, and thermogravimetric analysis (TGA). The performance of the synthesized polymers toward CO<jats:sub>2<\/jats:sub> and H<jats:sub>2<\/jats:sub> was evaluated, demonstrating adsorption capacities of 1.85\u00a0mmol\/g and 2.10\u00a0mmol\/g for CO<jats:sub>2<\/jats:sub> by <jats:bold>M1<\/jats:bold> and <jats:bold>M2<\/jats:bold>, respectively. The importance of the synthesized polymers lies in their selectivity for CO<jats:sub>2<\/jats:sub> capture, with CO<jats:sub>2<\/jats:sub>\/N<jats:sub>2<\/jats:sub> selectivity of 43 and 51 for <jats:bold>M1<\/jats:bold> and <jats:bold>M2<\/jats:bold>, respectively. <jats:bold>M1<\/jats:bold> and <jats:bold>M2<\/jats:bold> polymers showed their capability for hydrogen storage with a capacity of 66\u00a0cm<jats:sup>3<\/jats:sup>\/g (0.6\u00a0wt%) and 87\u00a0cm<jats:sup>3<\/jats:sup>\/g (0.8\u00a0wt%), respectively, at 1\u00a0bar and 77\u00a0K. Molecular dynamics (MD) simulations using the grand canonical Monte Carlo (GCMC) method revealed the presence of considerable microporosity on <jats:bold>M2<\/jats:bold>, making it highly selective to CO<jats:sub>2<\/jats:sub>. The exceptional removal capabilities, combined with the high thermal stability and microporosity, enable <jats:bold>M2<\/jats:bold> to be a potential material for flue gas purification and hydrogen storage.<\/jats:p>","DOI":"10.3389\/fchem.2023.1265324","type":"journal-article","created":{"date-parts":[[2023,9,7]],"date-time":"2023-09-07T17:28:06Z","timestamp":1694107686000},"update-policy":"https:\/\/doi.org\/10.3389\/crossmark-policy","source":"Crossref","is-referenced-by-count":10,"title":["3D porous polymers for selective removal of CO2 and H2 storage: experimental and computational studies"],"prefix":"10.3389","volume":"11","author":[{"given":"Muath S.","family":"Al-Bukhari","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Ismail","family":"Abdulazeez","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mahmoud M.","family":"Abdelnaby","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Isam H.","family":"Aljundi","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Othman Charles S.","family":"Al Hamouz","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"1965","published-online":{"date-parts":[[2023,9,7]]},"reference":[{"key":"B1","doi-asserted-by":"publisher","first-page":"2526","DOI":"10.3390\/agronomy12102526","article-title":"Physiological responses of plants to combined drought and heat under elevated CO2","volume":"12","author":"Abdelhakim","year":"2022","journal-title":"Agronomy"},{"key":"B2","doi-asserted-by":"publisher","first-page":"6455","DOI":"10.1039\/c8ta00012c","article-title":"Carbon dioxide capture in the presence of water by an amine-based crosslinked porous polymer","volume":"6","author":"Abdelnaby","year":"2018","journal-title":"J. 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