Oxygen diffusion in the oxygen ionic conductor yttria-stabilized zirconia is investigated by means of the molecular dynamics simulation technique. Oxygen ions migrate by means of a discrete hopping process, mainly between neighbouring tetrahedral sites. Diffusion appears to occur in a short time and a long time regime. Only when the oxygen ions have moved over distances much larger than the cha...

The oxygen permeation flux through the perovskite membrane made of Ba0.5Sr0.5Co0.8Fe0.2O3-δ (BSCF) has been measured as a function of both the temperature and the oxygen pressure gradient across the membrane. A simple model for the surface exchange fluxes was used to understand the mechanism of the oxygen transport. The limiting step of the oxygen transport was found to be the bulk diffusion fo...

The quenching by molecular oxygen of the fluorescence from a protoporphyrin IX adduct of horseradish peroxidase has been investigated using both intensity and time-resolved techniques. The bimolecular quenching rate constant determined for this process, as evaluated by the conventional Stern-Volmer analysis, was 2 x 10(8) M-1 s-1, among the lowest observed for protein systems. This result sugge...

In this article, a two dimensional pore scale model of polymeric fuel cell, which is promising of a clean and renewable energy production, is presented here. Let reactive gases behave as an ideal gas; inhomogeneous anisotropic structure of the gas diffusion layer, is contemplated as a random generated circular porous media. Lattice Boltzmann method is applied to inquire the fluid flow and mass ...

In this paper, the effect of surface area of reaction layers in gas diffusion electrodes on oxygen reduction reaction was investigated. For this purpose, various amounts (0.1, 0.2, 0.3, 0.4, 0.5, 1, 1.5 and zero %wt of total loading of reaction layer) of single walled carbon nanotube (SWCNT) were inserted in the reaction layer. The performance of gas diffusion electrodes for oxygen reduction re...

Myoglobin, a mobile carrier of oxygen, is without a doubt an important player central to the physiological function of heart and skeletal muscle. Recently, researchers have surmounted technical challenges to measure Mb diffusion in the living cell. Their observations have stimulated a discussion about the relative contribution made by Mb-facilitated diffusion to the total oxygen flux. The calcu...

Methods and models describing oxygen diffusion and desorption in oxides have been developed for slightly defective and well crystallised bulky materials. Does nanostructuring change the mechanism of oxygen mobility? In such a case, models should be properly checked and adapted to take into account new material properties. In order to do so, temperature programmed oxygen desorption and thermogra...

Diffusion behaviours of oxygen and uranium were evaluated for bulk and grainboundaries of uranium dioxide using the molecular dynamics (MD) simulation. It elucidated that oxygen behaved like liquid in superionic state at high temperatures and migrated on sublattice sites accompanying formation of lattice defects such as Frenkel defects at middle temperatures. Formation energies of Frenkel and S...

The crystal structure of mayenite (ideal composition: Ca12Al14O33) consists of a (disordered) calcium-aluminate framework comprising 32 of the 33 oxygen anions. It contains large open cages, 1/6 of them being filled randomly by the remaining “free” oxygen which is available for diffusion and very high ionic conductivities. This extraframework oxygen could be substituted by nitrogen, opening up ...