Molecular dynamics simulation of small gas molecule permeation through CAU-1 membrane
Mingming Zhai, Tomohisa Yoshioka, Jianhua Yang, Jinqu Wang, Dinglin Zhang, Jinming Lu, Yan Zhang
Topics & Concepts
PermeationPermeanceMembraneMolecular dynamicsChemistryvan der Waals forceMoleculeDiffusionGas separationThermodynamicsChemical physicsSeparation processPhysical chemistryAnalytical Chemistry (journal)Materials scienceComputational chemistryChromatographyOrganic chemistryPhysicsBiochemistryMetal-Organic Frameworks: Synthesis and ApplicationsMembrane Separation and Gas TransportZeolite Catalysis and Synthesis