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.
Oxy-fuel combustion is one of the proposed technologies with the potential to achieve zero CO2 emission. La1−xCaxCo1−yFeyO3−δ (LCCF) perovskites are promising materials with high selectively for oxygen. In this study, the oxygen non-stoichiometry of perovskites LCCF was investigated by means of iodometric titration. LCCF was prepared using the liquid citrate method, and the phase structures were identified by X-ray diffraction. Fixed-bed experiments were performed to study the oxygen desorption performance of LCCF. The oxygen deficiency of LCCF increased with increasing Ca molar content of A site, but the value of δ of LCCF with increasing Fe molar content in B site is nearly constant. Experimental observation demonstrated that the O2 release amount of LCCF does not depend on oxygen non-stoichiometry δ generated from A-site doping. At the same time, doping Fe in B site has an obvious impact on the oxygen desorption amount.