Role of cationic groups on structural and dynamical correlations in hydrated quaternary ammonium-functionalized poly(p-phenylene oxide)-based anion exchange membranes

• DOI: 10.1039/c8cp02211a
• Publication Date: 2018-06-26T04:34:17Z
• Authors: Dengpan Dong; Xiaoyu Wei; Justin B. Hooper; Hongchao Pan; Dmitry Bedrov
• Keywords: 01 natural sciences; 0104 chemical sciences

Extensive atomistic molecular dynamics simulations were conducted using a polarizable force field to study hydroxide and water dynamics in anion exchange membranes.