Adsorption of noble gases on metal surfaces and the scanning tunneling microscope

Physisorption on metal surfaces, and the tunneling currents through the adsorbed species, are calculated using a unified formalism that presents both problems on the same footing. Our method is based on a self-consistent LCAO approach whereby the different interaction parameters defining the bonds, and the tunneling currents, are calculated using the atomic properties of the atomic species forming the interface. Green function methods and the Keldish formalism are used to calculate the different physical properties. We present results for xenon adsorbed on aluminum.     

Extraction and spectrophotometric determination of titanium(IV) with alizarin and fluoride

The characteristics of the mixed-ligand titanium(IV)-fluoride-alizarin complex, including the optimum conditions of formation and extraction into methyl isobutyl ketone, are described. A simple and sensitive procedure for spectrophotometric determination of titanium has been developed. At pH 9.5-10.3 titanium reacts with alizarin in the presence of fluoride to form a red-violet complex that is completely extractable into methyl isobutyl ketone, and has its absorption maximum at 513 nm. The molar absorptivity at 513 nm is 7.0 x 10(4)l.mole(-1).cm(-1). Beer's law is obeyed up to 22 mug of titanium in 30 ml of solution. The method has been used for the determination of titanium in an oxide mixture and aluminium alloy samples.     

Phase transitions and reflection positivity for a class of quantum lattice systems

We prove a form of reflection positivity in planes containing sites for a class of quantum lattice systems. As an application, a proof is given of a phase transition for the Fisher-stabilized Ising antiferromagnet in an external magnetic field with parallel and transverse components, both by the method of infrared bounds and by a suitable version of the Peierls argument. We also discuss the spherical model in an appendix.     

Generalized Maxwell model for the viscoelastic behavior of a soda-lime-silica glass under low frequency shear loading

The linear viscoelastic behavior of a soda-lime-silica glass under low frequency shear loading is investigated in the glass transition range. Using the time-temperature superposition technique, the master curves of the shear dynamic relaxation moduli are obtained at a reference temperature of 566°C. A method to determine the viscoelastic constants from dynamic relaxation moduli is proposed. However, some viscoelastic constants cannot be directly measured from the experimental curves and others cannot be precisely obtained due to non-linearity effects at very low frequencies. The generalized Maxwell model is investigated from the experimental dynamic moduli without fixing the viscoelastic constants. A set of parameters is shown to be in good agreement with the experimental dynamic relaxation moduli, but does not give the correct values of the viscoelastic constants of the investigated glass. The soda-lime-silica glass exhibits a non-linear viscoelastic behavior at very low stress level which is usually observed for organic glasses. This non-linear behavior is questioned.     

Optimizing the Electrocatalytic Activity of Surface Confined Co Macrocyclics for the Electrooxidation of Thiocyanate at pH 4

We have studied the trends in catalytic activity of several Co macrocyclics confined on the surface graphite electrodes for the oxidation of thiocyanate. A plot of log i (at constant E) versus the formal potential of the catalyst gives a volcano correlation, indicating that the Co(II/I) redox potential needs to be tuned, in order to achieve maximum reactivity. Graphite electrodes modified with Co phthalocyanine at pH 4 exhibit linear amperometric response for thiocyanate concentration in the range 10^?7 and 10^?3 M. Theoretical calculations show that electrocatalytic activity (as log i at constant E) plotted versus the energy of the LUMO of the Co complex also gives a volcano correlation.     

Wisp-like structures in vertical gas–liquid pipe flow revealed by wire mesh sensor studies

A conductance wire mesh sensor system has been employed on a vertical 67 mm diameter pipe with the up flow of air and water mixtures. The measuring system provides time and cross-sectionally resolved information about the spatial distribution of the phases. Statistical information can be extracted and used to identify flow patterns. The fully resolved data has revealed a hitherto unreported structure has been seen in churn flow which could be linked to the wisps in wispy-annular flow.     

Extracting metabolite ions out of a matrix background by combined mass defect,neutral loss and isotope filtration

Mass defect, neutral loss and isotope filtration techniques were applied to electrospray ionization mass spectrometry (ESI‐MS) data obtained for in vivo and in vitro samples of drug metabolism studies. A combination of these post‐acquisition processing techniques was shown to be more powerful than the use of one of these tools alone for the detection in complex matrices of metabolites of candidate drugs with a characteristic isotope pattern (e.g. containing bromine, chlorine, or a high proportion of radiolabeled drug (¹²C/¹⁴C)) or characteristic neutral losses. In combination with ‘all‐in‐one’ data acquisition this methodology is able to perform software‐driven constant neutral loss scanning for an unlimited number of mass differences at any time after analysis. Highly selective MS chromatograms were obtained with excellent correlation with their corresponding radiochromatograms. Copyright © 2009 John Wiley & Sons, Ltd.     

Magnetic and Structural Properties of the Mechanically Alloyed Nd2(Fe100 − x Nb x )14B System

In this work we report the magnetic and structural properties obtained by Mössbauer spectrometry, Vibrating Sample Magnetometer and X-ray diffraction of milled powders with initial composition Nd₂(Fe_{100 ? x} Nb _x )₁₄B with x = 0 and x = 4. The mixtures were ball milled for different times up to 240 h. Structural and microstructural parameters were derived from high statistics X-ray patterns and discussed as a function of milling time. The Mössbauer spectra of the samples were fitted by means of a sextet and an hyperfine field distribution, associated to a pure iron phase (α-Fe) and a disordered iron-based phase, respectively. The α-Fe grain size decreases from 50 nm for 6 h up to 5 nm for 240 h milling time. The Vibrating Sample Magnetometer results allow to conclude that these samples behave as soft ferromagnets.