Selection of a suitable ZIF-8/ionic liquid (IL) based composite for selective CO₂ capture: the role of anions at the interface.

ABSTRACT: The effective capture of CO₂ from the atmosphere is much needed to reduce its environmental impact. The design and development of CO₂ capturing materials is getting much attention. A zeolitic imidazolate framework (ZIF) can replace many of the conventional materials in gas separation due to its stability and high performance. Here, we analyzed the effect of encapsulation of ionic liquids (ILs) into the pores of ZIF-8 for selective CO₂ capture and separation. The [BMIM]⁺ cation with a series of anions was selected to study suitable carbon capture materials using density functional theory (DFT) approaches. Our calculations suggest that the nitrogen containing anions are not well adsorbed on the ZIF-8 surface but their gas separation performance is

SUBMITTER: Thomas A 

PROVIDER: S-EPMC9057324 | biostudies-literature | 2020 Oct

REPOSITORIES: biostudies-literature