Molecular dynamics simulation of adsorption and separation of xylene isomers by Cu-HKUST-1
Guo-Jian Ji, Ting Xiang, Xiaoqing Zhou, Le Chen, Zhi‐Hui Zhang, Beibei Lü, Xinjian Zhou
Abstract
Metal–organic frameworks (MOFs) are widely used in the adsorption separation of various gases.
Topics & Concepts
AdsorptionMolecular dynamicsSeparation (statistics)Dynamics (music)ChemistryChemical physicsChemical engineeringComputational chemistryMaterials sciencePhysical chemistryComputer sciencePhysicsEngineeringMachine learningAcousticsMetal-Organic Frameworks: Synthesis and ApplicationsMembrane Separation and Gas TransportCovalent Organic Framework Applications