Effect of ion exchange capacity and water uptake on hydroxide transport in PSU-TMA membranes: A DFT and molecular dynamics study
Javier Luque Di Salvo, Giorgio De Luca, Andrea Cipollina, Giorgio Micale
Topics & Concepts
MembraneChemistryMolecular dynamicsHydroxideDiffusionIonIon exchangeIonic bondingAb initioTetramethylammonium hydroxideDensity functional theoryAqueous solutionAnalytical Chemistry (journal)ThermodynamicsChemical physicsPhysical chemistryComputational chemistryInorganic chemistryChromatographyOrganic chemistryPhysicsBiochemistryFuel Cells and Related MaterialsMembrane-based Ion Separation TechniquesAdvanced Battery Materials and Technologies