Water desalination of a new three-dimensional covalent organic framework: a molecular dynamics simulation study
Yifan Zhang, Timing Fang, Quangang Hou, Zhen Li, Youguo Yan
Abstract
membrane. It is also about 28% higher than that of the recently reported 2D-CAP membrane. This work theoretically confirms that the 3D-OH-COF is a promising membrane material for desalination applications and the underlying molecular mechanisms are clarified.
Topics & Concepts
DesalinationMolecular dynamicsNanoporousWater desalinationCovalent bondMembraneMaterials scienceSalt (chemistry)NanotechnologyChemical engineeringChemical physicsChemistryComputational chemistryPhysical chemistryEngineeringOrganic chemistryBiochemistryCovalent Organic Framework ApplicationsMembrane Separation TechnologiesNanopore and Nanochannel Transport Studies