Ion rejection performances of functionalized porous graphene nanomembranes for wastewater purification: A molecular dynamics simulation study
Ehsan Tabasi, Narges Vafa, Bahar Firoozabadi, Azam Salmankhani, Sasan Nouranian, Sajjad Habibzadeh, Amin Hamed Mashhadzadeh, Christos Spitas, Mohammad Reza Saeb
Topics & Concepts
Materials scienceMolecular dynamicsGrapheneIonThioureaChemical engineeringPorosityMetal ions in aqueous solutionAmideSurface modificationMembraneInorganic chemistryChemical physicsNanotechnologyComposite materialChemistryOrganic chemistryComputational chemistryBiochemistryEngineeringMembrane Separation TechnologiesGraphene research and applicationsNanopore and Nanochannel Transport Studies