Water Uptake in an Anion Exchange Membrane Based on Polyamine: A First-Principles Study
Eleonora Tomasino, Binayak Mukherjee, Narges Ataollahi, Paolo Scardi
Abstract
and water molecules to form water clusters in the proximity of the ionized amine group. As such, these regions constitute the preferential pathway for ionic conductivity. Besides, the essential role of the water content is pointed out, not only to enhance conductivity but also to reduce degradation in an alkaline environment. The present work provides a baseline to assess the impact of polymer chemistry on the ionic conductivity of the membrane and acts as the first step for the development of high-performance AEMs and for an improvement of the overall performance of the fuel cell.
Topics & Concepts
MembraneChemistryConductivityMoleculeIonic bondingMonomerIon exchangeIonic conductivityHydroxideAmine gas treatingChemical engineeringSolventPolymerIonInorganic chemistryComputational chemistryPhysical chemistryElectrolyteOrganic chemistryEngineeringBiochemistryElectrodeFuel Cells and Related MaterialsElectrocatalysts for Energy ConversionMembrane-based Ion Separation Techniques