Functionalized linker to form high-symmetry adsorption sites in micropore COF for CO2 capture and separation: insight from GCMC simulations
Huili Xin, Sainan Zhou, Shengyu Xu, Wanru Zhai, Sen Liu, Siyuan Liu, Zhaojie Wang, Xiaoqing Lü, Shuxian Wei
Topics & Concepts
AdsorptionMicroporous materialMaterials sciencevan der Waals forceMoleculeGas separationSelectivityPorosityChemical engineeringDensity functional theoryCovalent organic frameworkCovalent bondPhysical chemistryComputational chemistryOrganic chemistryChemistryComposite materialMembraneCatalysisEngineeringBiochemistryCovalent Organic Framework ApplicationsMetal-Organic Frameworks: Synthesis and ApplicationsCarbon Dioxide Capture Technologies