{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,6]],"date-time":"2026-02-06T07:33:16Z","timestamp":1770363196495,"version":"3.49.0"},"reference-count":93,"publisher":"MDPI AG","issue":"3","license":[{"start":{"date-parts":[[2026,2,5]],"date-time":"2026-02-05T00:00:00Z","timestamp":1770249600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/"}],"funder":[{"DOI":"10.13039\/501100001809","name":"National Natural Science Foundation of China","doi-asserted-by":"publisher","award":["22478229"],"award-info":[{"award-number":["22478229"]}],"id":[{"id":"10.13039\/501100001809","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["Molecules"],"abstract":"<jats:p>Understanding the competitive adsorption mechanism is crucial for the rational design of CO2 adsorbents. In this work, the surface of zeolite 5A was modified with varying concentrations of n-octadecylphosphonic acid (ODPA) to enhance the adsorptive separation of CO2 over C3H6. With a 0.01 mol\/L concentration of ODPA, the modified zeolite 5A achieves CO2\/C3H6 ideal selectivity over 73 at 298 K, a substantial improvement over the pristine zeolite 5A, which exhibits a selectivity of 6.07. The Sips isotherm model provides an excellent fit to the experimental data, offering insights into the adsorption mechanism, with a calculated enthalpy change of \u221230.70 kJ\/mol for CO2 and \u221216.54 kJ\/mol for C3H6, along with favorable Gibbs free energy changes ranging from \u22129.00 to \u22123.54 kJ\/mol for CO2 and \u22124.96 to \u22122.04 kJ\/mol for C3H6 over the temperature range of 298\u2013373 K. Kinetic analysis reveals faster diffusion in pristine zeolite 5A; however, surface modification significantly enhances CO2\/C3H6 selectivity while maintaining balanced adsorption capacity. Adsorption uptakes of CO2 and C3H6 in pristine zeolite 5A follow the pseudo-first-order model and pseudo-second-order model, respectively. Pristine zeolite 5A shows rapid adsorption, with a CO2 adsorption capacity of 4.10 mmol\/g with a rate constant of 2.60 min\u22121, and a C3H6 adsorption capacity of 1.99 mmol\/g with a rate constant of 0.34 min\u22121. The modification with ODPA increases adsorption energy barriers, with CO2 activation energy reaching 5.18 kJ\/mol and C3H6 activation energy up to 15.63 kJ\/mol, while tetrahydrofuran washing restores site accessibility, demonstrating tunable diffusion and adsorption behavior. These findings lay the foundation for designing high-efficiency, and selective adsorbents through targeted surface engineering.<\/jats:p>","DOI":"10.3390\/molecules31030564","type":"journal-article","created":{"date-parts":[[2026,2,5]],"date-time":"2026-02-05T16:30:47Z","timestamp":1770309047000},"page":"564","update-policy":"https:\/\/doi.org\/10.3390\/mdpi_crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Effect of n-Octadecylphosphonic Acid Coating on Zeolite 5A for Adsorptive Separation of Carbon Dioxide and Propylene"],"prefix":"10.3390","volume":"31","author":[{"given":"Magdy Abdelghany","family":"Elsayed","sequence":"first","affiliation":[{"name":"College of Energy and Mining Engineering, Shandong University of Science and Technology, Qingdao 266590, China"},{"name":"Department of Mining and Petroleum Engineering, Faculty of Engineering, Al-Azhar University, Cairo 11884, Egypt"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Shixue","family":"Zhou","sequence":"additional","affiliation":[{"name":"College of Chemical and Biological Engineering, Shandong University of Science and Technology, Qingdao 266590, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Chengdong","family":"Zhang","sequence":"additional","affiliation":[{"name":"College of Energy and Mining Engineering, Shandong University of Science and Technology, Qingdao 266590, China"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Kun","family":"Zhang","sequence":"additional","affiliation":[{"name":"College of Energy and Mining Engineering, Shandong University of Science and Technology, Qingdao 266590, China"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"1968","published-online":{"date-parts":[[2026,2,5]]},"reference":[{"key":"ref_1","doi-asserted-by":"crossref","first-page":"117503","DOI":"10.1016\/j.envres.2023.117503","article-title":"Comprehensive review and assessment of carbon capturing methods and technologies: An environmental research","volume":"240","author":"Goren","year":"2024","journal-title":"Environ. 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