Role of cationic groups on structural and dynamical correlations in hydrated quaternary ammonium-functionalized poly(p-phenylene oxide)-based anion exchange membranes
Abstract
Extensive atomistic molecular dynamics simulations were conducted using a polarizable force field to study hydroxide and water dynamics in anion exchange membranes.
Document Details
- Document Type
- Pub Defense Publication
- Publication Date
- Jan 01, 2018
- Source ID
- 10.1039/c8cp02211a
Entities
People
- Dengpan Dong
- Dmitry Bedrov
- Hongchao Pan
- Justin B. Hooper
- Xiaoyu Wei
Organizations
- United States Army
- United States Army Research Laboratory
- University of Utah