Experiences and practical hints on using the DDRP method,illustrated by the example of the H2 + H reaction

By using the dynamically defined reaction path (DDRP) method and starting from various initial polygons, the intrinsic reaction coordinate (IRC) of the H₂ + H → H + H₂ reaction has been calculated. The numerical stability of the method is illustrated by the evolution phases of the reaction path. Techniques and experiences on the parameter choice and effects of the parameter values on the stability and computer time consumption are discussed. © John Wiley & Sons, Inc.     

High-performance liquid radiochromatography: Its application for stability study of [3H] stobadin

An HPLC method was developed for studying the stability of [³H] stobadin stored in physiological saline or buffers at various pH. Optimum conditions for the separation of degradation products were elaborated. A high-performance liquid chromatograph equipped with a radioactivity detector was used.     

A vector-sum theorem in two-dimensional space

Given a finite setX of vectors from the unit ball of the max norm in the twodimensional space whose sum is zero, it is always possible to writeX = {x₁, , x_n} in such a way that the first coordinates of each partial sum lie in [–1, 1] and the second coordinates lie in [–C, C] whereC is a universal constant.     

FIA-fluorimetric determination of adrenaline in pharmaceutical formulations by oxidation with molecular oxygen

The fluorimetric determination of adrenaline is carried out in a continuous-flow assembly and by means of the molecular dissolved oxygen. The sample solution merges with an NaOH stream, then the resulting mixture is heated at 73 °C and led to the flow-cell of the fluorimeter. The flow-assembly is very simple and the procedure is quick (107 samples h^–1) reproducible (R.S.D. 0.6%), selective and suitable to be applied to determination of adrenaline in formulations. Calibrations graph are linear over the ranges 0.05–15 and 20–40 mgl^–1.     

Influence of mechanical properties of pectin films on charge density and charge density distribution in pectin macromolecule

The hydration and mechanical properties of citrus pectin films were examined in conditions relevant to those in the plant cell wall. The pectins used for this study varied in the degree of esterification (DE) (high or low) and charge distribution on the backbone (random or block). The hydration of the films was controlled in an osmotic pressure experiment using polyethylene glycol solutions (PEG 20000). Hysteresis tests at constant deformation rate (stress vs deformation) were used for investigating the mechanical behaviour of films. Mechanical and hydration properties of pectin films were examined as a function of charge density, charge density distribution and counterion environment—K⁺, Ca²⁺, Mg²⁺. Swelling decreased with increasing counterion concentration. The effect is stronger in the case of Ca²⁺ and Mg²⁺ for low esterified pectins and therefore crosslinks from divalent ions could be assumed. The crosslink effect is confirmed in mechanical experiments where an increase in the film tensile modulus is observed with increasing counterion concentration. It is shown for the first time that in case of highly concentrated pectin solutions Mg²⁺ cations also act as a crosslinker for pectin macromolecules.     

Relations between subclasses of greedoids

In previous papers many different classes and constructions of greedoids have been defined and studied. This paper documents inclusion relations among all subclasses of greedoids which are known so far. It will be shown that all inclusion relations are proper and that all but one subclasses of interval greedoids are distinct.

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Zusammenfassung In früheren Arbeiten wurden viele verschiedene Klassen und Konstruktionen für Greedoide eingeführt und studiert. In dieser Arbeit werden alle bekannten Inklusionsbeziehungen zwischen Unterklassen von Greedoiden dokumentiert. Es wird gezeigt, daß alle Inklusionsbeziehungen echt und alle Unterklassen mit einer Ausnahme tatsächlich verschieden sind.

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Supported by the joint research project Algorithmic Aspects of Combinatorial Optimization of the Hungarian Academy of Sciences (Magyar Tudományos Akadémia) and the German Research Association (Deutsche Forschungsgemeinschaft, SFB 21). Part of this research was done while the first author was visiting the Department of Combinatorics and Optimization, University of Waterloo.     

The inhomogeneity of plastic deformation

Considerable local strain differences occur in single crystals as a consequence of slip bands. A significant contribution to this phenomenon is the effect of the deformation rate on the inhomogeneity of its distribution. In polycrystalline materials the plastic deformation is affected by grain boundaries and their vicinity as well as by various orientations of single grains in onephase metals and alloys, and by various component properties in multiphase materials. In some cases it has been possible to describe these phenomena by means of micromechanics. Valuable information has also been acquired by means of three-dimensional stereology.     

The influence of tensile stress on grain and cell boundary precipitation in supersaturated Al-Zn alloys during creep

The results are presented of the optical microscopic and X-ray diffraction study of the stress-induced nucleation and growth of (Zn) precipitates at grain and cell boundaries (GB's and CB's) during uniaxial creep at 200 °C of supersaturated AlZn20 and AlZn30 alloys. The rate of precipitation is increased mainly owing to the modifying effect of tensile stress on diffusion processes in alloy samples during their anneal. The diffusion of Zn atoms toward GB's and CB's from adjacent regions of grains is accompanied during creep by diffusive flux of Zn along boundaries parallel or nearly parallel to the tensile creep axis toward boundaries with near to normal orientation to that axis. Enhanced precipitation of results then preferentially at the latter and is supressed at the former boundaries where even the dissolution of preexisting has been found during a later application of tensile stress. The stress-induced precipitation of at GB's gradually ceases with prolonged creep exposures due to the lengthening of duffusion paths of Zn atoms from grain interior to GB's.Dissolution of lamellae by their regress toward GB's and CB's is assisted with the stress-induced diffusion of Zn along epitaxial / lamellar interfaces. Copious precipitation of at the parts of GB's and/or CB's with near to normal orientation to the creep axis is then observed on account of Zn from dissolved lamellae. Creep strain also leads to the fragmentation of lamellae and thus also to breaking down of the paths for diffusion of Zn along / interfaces. Spheroidization of fragmented parts of lamellae is then observed. Spheroids of remain embedded within the former lamellar regions.Large creep strains and high strain rates observed on fine-grained alloy samples may be associated with an enhanced viscous GB sliding due to the stress-dependent flow of Zn along GB's and/or CB's.     

Recovery and recrystallization in AISI 321 steel under static conditions

Static softening of AISI 321 steel after cold and hot deformation characterizing the industrial thermomechanical treatment was studied by means of tensile tests and TEM. The deformation temperature, the strain and the grain size were the main parameters determining the final softening. The results can be applied for optimization of the solution annealing.