Entropy predictions in molten binary alkali halide mixtures

Excess entropies for all the common anion molten binary alkali halide mixtures have been predicted, for the first time, using an extension of the conformal solution theory. The calculated entropies are in good agreement with available experimental results.     

The static drag on bodies in Bingham plastics

Summary A good indication of the static drag force experienced by a body immersed in a Bingham plastic can be obtained by summing the static yield stress over the cross-sectional area of the body normal to the direction of movement of the plastic and multiplying the result by 16.7. The actual drag may be slightly higher in the case of a disc or a sphere than for a cylinder or a rectangular plate, and an additional factor may be required if the length of the body parallel to the flow exceeds its width. The mechanism of transmission of the force from the Bingham plastic to the immersed body is not understood at present.

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Zusammenfassung Einen guten Hinweis auf den Fließwiderstand eines in einer fließenden Bingham-Substanz eingetauchten Körpers erhält man, indem man die statische Fließspannung über die Querschnittsfläche des Körpers senkrecht zur Bewegungsrichtung der Bingham-Substanz summiert und das Ergebnis mit 16,7 multipliziert. Der tatsächliche Fließwiderstand mag im Falle einer Scheibe oder einer Kugel etwas höher sein als für einen Zylinder oder eine rechteckige Platte, und möglicherweise ist ein zusätzlicher Faktor erforderlich, wenn die Länge des Körpers parallel zur Strömung größer ist als seine Breite. Der Mechanismus der Kräfteübertragung von der Bingham-Substanz auf den eingetauchten Körper ist zur Zeit noch nicht erkannt.

     

Magnetism of the Fe/ZnSe(001) interface

The magnetism of epitaxial ultrathin films of Fe on ZnSe(001) has been investigated by x-ray magnetic circular dichroism down to the submonolayer regime. In contrast to other metallic ferromagnet/semiconductor interfaces, no reduction of the Fe magnetic moment was found at the Fe/ZnSe(001) interface. Furthermore, a significant enhancement of the Fe magnetic moment compared to the bulk value was observed for coverages up to one monolayer in agreement with theoretical predictions. We also demonstrate that the magnetic properties of the Fe/ZnSe(001) interface remain stable against thermal annealing up to 300 degrees C, a prerequisite for the future development of efficient spintronics devices.     

Combinatorial synthesis of substituted biaryls and heterocyclic arylamines

In this paper, we report very general conditions that enable palladium-mediated coupling reactions on the solid support. A wide variety of biaryls and arylamines (including pyrimidines) have been synthesized using this protocol. The chemistry facilitates a combinatorial approach to the production of large numbers of medicinally relevant heterocyclic structures.     

Photoproduction of charmed F mesons at γ energies of 20–70 GeV

Evidence is presented for inclusive photoproduction of F^± mesons in three decay modes, ηπ^±, ηπ^±π⁺π^? and ηπ^±π⁺π⁺π^?π^?. The average mass of the F^± is found to be 2.020±0.010 GeV.     

Ligand effects in bimetallic high oxidation state palladium systems

Ligand effects in bimetallic high oxidation state systems containing a X-Pd-Pd-Y framework have been explored with density functional theory (DFT). The ligand X has a strong effect on the dissociation reaction of Y to form [X-Pd-Pd](+) + Y(-). In the model system examined where Y is a weak σ-donor ligand and a good leaving group, we find that dissociation of Y is facilitated by greater σ-donor character of X relative to Y. We find that there is a linear correlation of the Pd-Y and Pd-Pd bond lengths with Pd-Y bond dissociation energy, and with the σ-donating ability of X. These results can be explained by the observation that the Pd d(z(2)) population in the PdY fragment increases as the donor ability of X increases. In these systems, the Pd(III)-Pd(III) arrangement is favored when X is a weak σ-donor ligand, while the Pd(IV)-Pd(II) arrangement is favored when X is a strong σ-donor ligand. Finally, we demonstrate that ligand exchange to form a bimetallic cationic species in which each Pd is six-coordinate should be feasible in a high polarity solvent.     

Ensemble Effects on Methanol Oxidation to Formaldehyde on Ferric Molybdate Catalysts

The properties of Mo-doped iron oxide are compared with those of the single oxides of Fe and Mo, and with stoichiometric ferric molybdate for the selective oxidation of methanol. It is found that Mo oxide segregates to the surface of the iron oxide at low loadings, while at higher loadings, but below the stoichiometric ratio, presents layers of ferric molybdate at the surface. The relationship between bulk loading and surface Mo is explored, and it is concluded that the reactivity is dominated by ensemble effects. Simple modelling indicates that four or more Fe cation ensembles are required to combust methanol to CO₂, ensembles of two Mo cations are required for selective oxidation to formaldehyde, whereas it seems that isolated single sites of either Fe or Mo produce CO.