Structural contribution of cationic groups to water sorption in anion exchange membranes: A combined DFT and MD simulation study
Wanting Chen, Xuemei Wu, Tiantian Li, Xiaoming Yan, Yang Zhang, Xiaozhou Wang, Fan Zhang, Shouhai Zhang, Gaohong He
Topics & Concepts
Cationic polymerizationSteric effectsChemistrySorptionPhosphoniumMembraneIonic bondingIon exchangeDensity functional theoryPolymer chemistryChemical engineeringComputational chemistryIonOrganic chemistryAdsorptionEngineeringBiochemistryFuel Cells and Related MaterialsMembrane-based Ion Separation TechniquesAdvanced Battery Materials and Technologies