CO2 capture in cation-exchanged metal–organic frameworks: Holistic modeling from molecular simulation to process optimization

• Published in: Chemical engineering science Vol. 124; pp. 70 - 78
• Main Authors: Nalaparaju, A., Khurana, M., Farooq, S., Karimi, I.A., Jiang, J.W.
• Format: Journal Article
• Language: English
• Published: Elsevier Ltd 03.03.2015
• Subjects: CO2 capture; Energy penalty; Metal–organic frameworks; Molecular simulation; Process optimization; Productivity; Molecular simulation; Productivity; Process optimization; Energy penalty; CO2 capture; Metal–organic frameworks

While CO2 capture has been extensively investigated in different metal–organic frameworks (MOFs), their performance under practical process conditions is scarcely examined. In this study, a multi-scale modeling study is reported to examine CO2 capture from flue gas by vacuum swing adsorption (VSA) p...