Machine learning-assisted computational exploration of the optimal loading of IL in IL/COF composites for carbon dioxide capture
Tongan Yan, Minman Tong, Dahuan Liu, Qingyuan Yang, Chongli Zhong
Abstract
The “volumetric loading ratio” is proposed as a descriptor for regulating the IL loading of IL/COF composites. IL and COFs can form CO 2 favorable “wire-tube” and “wall-arm” type structures in COFs with pore sizes <10 Å and ≥10 Å, respectively.
Topics & Concepts
Composite materialMaterials scienceCarbon dioxideTube (container)ChemistryOrganic chemistryCarbon Dioxide Capture TechnologiesMetal-Organic Frameworks: Synthesis and ApplicationsCatalytic Processes in Materials Science