Study of modified PVDF membranes with high-capacity adsorption features using Quantum mechanics, Monte Carlo, and Molecular Dynamics Simulations
Iman Salahshoori, Aliye Mohseni, Majid Namayandeh Jorabchi, Somayeh Ghasemi, Mahdis Afshar, Sebastian Wohlrab
Topics & Concepts
MembraneAdsorptionChemical engineeringMethacrylateCopolymerMolecular dynamicsEthylene glycolMaterials scienceMonte Carlo methodMiscibilityPolymer chemistryChemistryPolymerPhysical chemistryComposite materialComputational chemistryStatisticsEngineeringMathematicsBiochemistryMembrane Separation TechnologiesMembrane Separation and Gas TransportPolymer Nanocomposite Synthesis and Irradiation