eprintid: 18665 rev_number: 2 eprint_status: archive userid: 1 dir: disk0/00/01/86/65 datestamp: 2024-06-04 14:11:01 lastmod: 2024-06-04 14:11:01 status_changed: 2024-06-04 14:03:49 type: article metadata_visibility: show creators_name: Ismail, M. creators_name: Bustam, M.A. creators_name: Kari, N.E.F. creators_name: Yeong, Y.F. title: Ideal Adsorbed Solution Theory (IAST) of Carbon Dioxide and Methane Adsorption Using Magnesium Gallate Metal-Organic Framework (Mg-gallate) ispublished: pub note: cited By 7 abstract: Ideal Adsorbed Solution Theory (IAST) is a predictive model that does not require any mixture data. In gas purification and separation processes, IAST is used to predict multicomponent adsorption equilibrium and selectivity based solely on experimental single-component adsorption isotherms. In this work, the mixed gas adsorption isotherms were predicted using IAST calculations with the Python package (pyIAST). The experimental CO2 and CH4 single-component adsorption isotherms of Mg-gallate were first fitted to isotherm models in which the experimental data best fit the Langmuir model. The presence of CH4 in the gas mixture contributed to a lower predicted amount of adsorbed CO2 due to the competitive adsorption among the different components. Nevertheless, CO2 adsorption was more favorable and resulted in a higher predicted adsorbed amount than CH4. Mg-gallate showed a stronger affinity for CO2 molecules and hence contributed to a higher CO2 adsorption capacity even with the coexistence of a CO2/CH4 mixture. Very high IAST selectivity values for CO2/CH4 were obtained which increased as the gas phase mole fraction of CO2 approached unity. Therefore, IAST calculations suggest that Mg-gallate can act as a potential adsorbent for the separation of CO2/CH4 mixed gas. © 2023 by the authors. date: 2023 official_url: https://www.scopus.com/inward/record.uri?eid=2-s2.0-85152336637&doi=10.3390%2fmolecules28073016&partnerID=40&md5=0d82c45db45e5c7515f6e0467d1a02f6 id_number: 10.3390/molecules28073016 full_text_status: none publication: Molecules volume: 28 number: 7 refereed: TRUE citation: Ismail, M. and Bustam, M.A. and Kari, N.E.F. and Yeong, Y.F. (2023) Ideal Adsorbed Solution Theory (IAST) of Carbon Dioxide and Methane Adsorption Using Magnesium Gallate Metal-Organic Framework (Mg-gallate). Molecules, 28 (7).