Details

Autor(en) / Beteiligte

• Qiao, Zhiwei
• Wang, Nanyi
• Jiang, Jianwen
• Zhou, Jian

Titel

Design of amine-functionalized metal-organic frameworks for CO2 separation: the more amine, the better?Electronic supplementary information (ESI) available: Simulation and experimental details, SEM images, XRD patterns, CO2 isotherms and selectivities. See DOI: 10.1039/c5cc07171b

Erscheinungsjahr

2016-01

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• A total of 41 825 metal-organic frameworks (MOFs) were computationally screened toward the design of amine-functionalized MOFs for CO 2 separation. Both the optimal species and number of amine functional groups were examined for eight MOFs with good performance in terms of CO 2 uptake and selectivity. It was revealed that more amine functional groups grafted on the MOFs do not lead to a better CO 2 separation capability, and the concept of saturation degree of functional groups was proposed. The ethylene-diamine-functionalized MOF-74 membrane was predicted to possess high CO 2 permeation separation capability, which was confirmed by the parallel experimental test of gas permeation. A total of 41 825 metal-organic frameworks (MOFs) were computationally screened toward the design of amine-functionalized MOFs for CO 2 separation.