Mapping TpPa-1 covalent organic framework (COF) molecular interactions in mixed solvents via atomistic modeling and experimental study
Anastasia Barnes, Mohammad M. Afroz, Yun Kyung Shin, Adri C. T. van Duin, Katie Li-Oakey
Topics & Concepts
PermeanceNanofiltrationMembraneCrystallinitySolventMass transferMolecular dynamicsAdsorptionChemical engineeringChemistryCovalent organic frameworkFiltration (mathematics)Membrane technologyForce field (fiction)PolymerMaterials scienceCovalent bondChemical physicsOrganic chemistryComputational chemistryChromatographyComputer scienceCrystallographyEngineeringPermeationStatisticsMathematicsArtificial intelligenceBiochemistryCovalent Organic Framework ApplicationsMembrane Separation TechnologiesMembrane Separation and Gas Transport