Methane activation on Ni(1 1 1): Effects of poisons and step defects

We have, theoretically and experimentally, investigated the dissociation of methane on the terraces and steps of a Ni(1 1 1) surface. Using Density Functional Theory (DFT) total energy calculations combined with Ultra High Vacuum (UHV) experiments, we find that the steps exhibit a higher activity than the terraces. We have, furthermore, investigated how carbon and sulfur present on the surface will deactivate the steps, leaving only the terraces active. We find the intrinsic sticking probabilities of methane on the steps and terraces at 500 K to be 2.8 × 10⁻⁷ for the steps and 2.1 × 10⁻⁹ for the terraces, in complete agreement with our calculated difference in activation energy of 17 kJ/mol.     

Use of new composite materials for the determination of Cu, Cd, Mo, As, and Sb in biological samples by radiochemical neutron activation analysis

Summary  Vezetéknév     

Local solution for the Kadomtsev-Petviashvili equation with periodic conditions

In this article we prove a local existence and uniqueness theorem for the Kadomtsev-Petviashvili Equation (u _t +u _xxx +uu _x ) _x −u _yy =0) in the Sobolev spaces of orders≥3, with initial values in the same spaces, and periodic boundary conditions. This theorem improves previous results based upon the application of singular perturbation techniques.     

Mössbauer spectroscopic study of Prussian Blue from different provenances

Ferric ferrocyanides synthesized from different sources of ferric cations and ferrocyanide anions and those derived from ferrous ferricyanide, ferrous ferrocyanide and ferric ferricyanide have been studied using Mössbauer and XRD techniques. Structural information of the effect of the provenance on the properties of the final compound is obtained. Significant correlations between isomer shift and quadrupole splitting of inner and outer iron cations have been observed.     

TDPAC study in ZnTiF6·6H2O between room temperature and 1273 K

Using the time differential perturbed angular correlation technique, the hyperfine interactions as titanium sites in ZnTiF6·6H₂O and its decomposition products were determined between room temperature (300 K) and 1273 K. The different steps in the decomposition pattern were identified and a simple model is given for it.     

Tuning inventory policy parameters in a small chemical company

A project to improve inventory management in a small UK chemical company is described. A research group comprising university academics and company managers for logistics and information technology examined current practices and analysed a database of historical records of business operations of the company. Based on the analysis, a scheme to categorise stock and set ordering policies to optimise inventory costs was developed. Some comments are made on process issues and the learning that took place.     

Click chemistry in materials synthesis. III. Metal‐adhesive polymers from Cu(I)‐catalyzed azide–alkyne cycloaddition

1,2,3‐Triazole‐based polymers generated from the Cu(I)‐catalyzed cycloaddition between multivalent azides and acetylenes are effective adhesive materials for metal surfaces. The adhesive capacities of candidate mixtures of azide and alkyne components were measured by a modified peel test, using a customized adhesive tester. A particularly effective tetravalent alkyne and trivalent azide combination was identified, giving exceptional strength that matches or exceeds the best commercial formulations. The addition of Cu catalyst was found to be important for the synthesis of stronger adhesive polymers when cured at room temperature. Heating also accelerated curing rates, but the maximum adhesive strengths achieved at both room temperature and high temperature were the same, suggesting that crosslinking reaches the same advanced point in all cases. Polytriazoles also form adhesives to aluminum, but copper is bound more effectively, presumably because active Cu(I) ions may be leached from the surface to promote crosslinking and adhesion. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 5182–5189, 2007     

False Vacuum Decay with Gravity in a Critical Case

The vacuum decay in a de Sitter universe is studied for the class of effective inflaton potentials that curvature at the top is less than as well as greater than a critical value determined previously. By comparing the actions of the Hawking - Moss instanton and the Coleman - de Luccia instanton(s) the mode of vacuum decay is determined in this critical situation.     

Enthalpies of sorption of linear hydrocarbons (C2–C8) and chloroderivatives of methane and ethylene on the surface of hydrotalcite

Differential molar adsorption enthalpies (DMAE) were determined by gas chromatographic measurements of specific retention volume of vapors on the surface of two forms of Mg–Al hydrotalcite. A linear dependence of the DMAE on the number of the carbon atoms in hydrocarbons was observed for both form of hydrotalcite. The dependence of the differential molar adsorption enthalpies on the number of chlorine atoms in organic molecules is discussed. A linear dependence of DMAE on the molecular weight of chloroderivatives of methane and ethylene on the basic form in an order monochloromethane < dichloromethane < trichloromethane or vinylidene chloride < 1,1-dichloroethylene < trichloroethylene was found.