@article{scholars18665, title = {Ideal Adsorbed Solution Theory (IAST) of Carbon Dioxide and Methane Adsorption Using Magnesium Gallate Metal-Organic Framework (Mg-gallate)}, journal = {Molecules}, note = {cited By 7}, volume = {28}, number = {7}, doi = {10.3390/molecules28073016}, year = {2023}, author = {Ismail, M. and Bustam, M. A. and Kari, N. E. F. and Yeong, Y. F.}, url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85152336637&doi=10.3390\%2fmolecules28073016&partnerID=40&md5=0d82c45db45e5c7515f6e0467d1a02f6}, 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. {\^A}{\copyright} 2023 by the authors.} }