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The document presents a study on the adsorption isotherms of pure gases and flue gas mixtures on Mg-MOF-74, focusing on CO2 capture processes. A simplified model utilizing periodic Density Functional Theory (DFT) and a dual-site Langmuir approach is employed to predict adsorption behaviors and evaluate the impact of SO2 on CO2 capture efficiency. The findings indicate that even low concentrations of SO2 can significantly hinder the adsorption performance of Mg-MOF-74, highlighting the importance of consider

Author

shashankhdrive4

Language

EN