We demonstrate automated generation of diffusion databases from high-throughput density functional theory (DFT) calculations. A total of more than 230 dilute solute diffusion systems in Mg, Al, Cu, Ni, Pd, and Pt host lattices have been determined using multi-frequency diffusion models. We apply a correction method for solute diffusion in alloys using experimental and simulated values of host s...

The transient absorption spectrum ( ̧max D 320, 400 and 550 nm) obtained on reaction of OH radicals with 4-(methylthio)benzoicacid is assigned to a solute radical cation with a positive charge on the benzene ring. The reaction with speciŽ c one-electron oxidants also produced similar spectrum and the oxidation potential for the formation of solute radical cation is estimated to be between 1.4 an...

The aim of this study was to evaluate the adsorption capacity of the novel coated activated carbon by chitosan for removal of Cr (VI) and Cd (II) ions from single and bi-solute dilute aqueous solutions. In addition, the adsorption abilities of activated carbon (AC), chitosan (CH) and chitosan / activated carbon composite (CHAC) have been compared. Adsorption studies were performed in a batch sy...

The respiratory activity of the sugar-tolerant (osmophilic) yeast, Saccharomyces rouxii, and the non-tolerant species, Sacchromyces cerevisiae, were compared after growth in a complex basal medium, the medium supplemented with polyethylene glycol (mol. wt 200) to give a water activity of 0-95, and the medium supplemented with glucose (24 and 36%, w/v). The properties compared were Qo2 (glucose)...

Water intake of nectarivores is intrinsically linked to nectar concentration. Osmoregulation in whitebellied sunbirds Nectarinia talatala (body mass 9.3+/-0.1 g, mean +/- S.D., N=7), was examined by feeding them sucrose solutions, equivalent to extreme diet concentrations (0.07-2.5 mol l(-1) sucrose; 2-65% w/w), with and without supplementary drinking water. Total water gain was 33-515% of body...

In the present paper, the theoretical investigation of the double-diffusive convection in a micropolar fluid layer heated and soluted from below saturating a porous medium is considered. For a flat fluid layer contained between two free boundaries, an exact solution is obtained. A linear stability analysis theory and normal mode analysis method have been used. For the case of stationary convect...

We compare local and nonlocal dielectric models for the electric potential around a solute. We choose a water molecule as solute so that the comparisons can be related to the behavior of bulk water. We see that, near the solute, the two models give predictions that differ by an order of magnitude, although the difference diminishes away from the solute. We also compare the two models for the pr...

We present a kinetic Monte Carlo method for simulating dislocation motion in alloys within the framework of the kink model. The model considers the glide of a dislocation in a static, three-dimensional solute atom atmosphere. It includes both a description of the short-range interaction between a dislocation core and the solute and long-range solute-dislocation interactions arising from the int...