Molecular dynamics simulation of CO2 permeation and separation in Zr-MOF membranes
Xiaohui Liu, Jiaxiang Liu, Shun Mao, Hui Xu, Yuzhang Wang, Wen‐Quan Tao, Zhuo Li
Topics & Concepts
ChemistryPermeationMolecular dynamicsMembraneChemical engineeringSeparation (statistics)Gas separationChromatographyChemical physicsComputational chemistryBiochemistryComputer scienceMachine learningEngineeringMembrane Separation and Gas TransportMetal-Organic Frameworks: Synthesis and ApplicationsFuel Cells and Related Materials