To investigate the effects of temperature and hydration on the microstructure of polymer electrolyte membrane and the transport of water molecules and hydronium ions, molecular dynamics simulations are performed on Nafion 117 for a series of water contents at different temperatures. The interactions among the sulfonate groups, hydronium ions, and water molecules are studied according to the analysis of radial distribution functions and coordination numbers. The sizes and connectivity of water clusters are also discussed, and it is found that the hydration level plays a key role in the phase separation of the membrane. However, the effect of the temperature is slight. When the water content increases from 3.5 to 16, the size of water clusters in the membrane increases, and the clusters connect to each other to form continuous channels for diffusion of water molecules and hydronium ions. The diffusion coefficients are estimated by studying the mean square displacements. The results show that the diffusion of water molecules and hydronium ions are both enhanced by the increase of the temperature and hydration level. Furthermore, the diffusion coefficient of water molecules is always much larger than that of hydronium ions. However, the ratio of the diffusion coefficient of water molecules to that of hydronium ions decreases with the increase of water content.
Direct catalytic decomposition of NO has the advantages of being a simple process, producing no secondary pollution, and being good for the economy, which has attracted extensive research in recent years. Perovskite-type mixed oxides, with an ABO3 or A2BO4 structure, are promising materials as catalysts for NO decomposition due to their low cost, high thermal stability, and, of course, their good catalytic performances. In this review, the influence factors, such as A-site substitution, B-site substitution and reaction conditions on the catalytic performance of catalysts have been expounded. The reaction mechanisms of direct NO decomposition are also discussed. Finally, major conclusions are drawn and some research challenges are highlighted.
10 July 2022 in International Journal of Hydrogen Energy
The flow field design of current collectors is a significant issue, which greatly affects the mass transport processes of reactants/products inside fuel cells. Especially for proton exchange membrane (PEM) fuel cells, an appropriate flow field design is very important due to the water balance problem. In this paper, a wavy surface is employed at the cathode flow channel to improve the oxygen mass transport process. The effects of wavy surface on transport processes are numerically investigated by using a three-dimensional anisotropic model including a water phase change model and a spherical agglomerate model. It is found that the wavy configurations enhance the oxygen transport and decrease the water saturation level. It is concluded that the predicted results and findings provide the guideline for the design and manufacture of fuel cells.