Poly(2,6-dimethyl-1,4-phenylene oxide)s (PPOs)-based anion exchange membranes (AEMs) with four of the most widely investigated head groups were prepared. Through a combination of experimental and simulation approaches, the effects of the different types of head groups on the properties of the AEMs, including hydroxide conductivity, water content, physicochemical stability, and fuel cell device performance were fully explored. Unlike other studies, in which the conductivity was mostly investigated in liquid water, the conductivity of the PPO-based AEMs in 95% relative humidity (RH) conditions as well as in liquid water was investigated. The conductivity trend in 95% RH condition was different from that in liquid water but corresponded well with the actual cell performance trend observed, suggesting that the AEM fuel cell performance under in situ cell conditions (95% RH, 60 °C, H2/O2) is more closely related to the conductivity measured ex situ under 95% RH conditions (60 °C) than in liquid water. On the basis of the conductivity data and molecular simulation results, it was concluded that the predominant hydroxide ion-conducting mechanism in liquid water differs from that in the operating fuel cell environment, where the ionomers become hydrated only as a result of water vapor transported into the cells.
Keywords: Conducting mechanism; anion exchange membranes; head groups; molecular simulation; room humidity condition.