Die neue H2A-Plattform — ein Netzwerk als Basis für Akzeptanz einer neuen Technologie

If hydrogen is to be promoted as a fuel of the future, established and tried-and-tested organisational structures and working methods must be complemented by flexible instruments capable of ensuring a maximum of innovation, productivity and information exchange with a wide range of players. The platform structure provides the ideal environment for sustainable development processes.     

A Computational Study of Calcium(II) and Copper(II) Ion Binding to the Hyaluronate Molecule

The hyaluronate molecule is a negatively charged polysaccharide that performs a plethora of physiological functions in many cell tissues depending on its conformation. In the present paper, molecular modeling at three levels of theory and two basis sets was used to gain a deeper insight in the complex molecular structure of calcium(II) and copper(II) hyaluronate. Simulation results were compared with the experimental data (EXAFS or X-ray). It was found that B3LYP does not properly reproduce the experimental data while the HF and M06 methods do. Simulation data confirm that the N-acetyl group of the N-acetylglucosamine residue does not participate in the coordination bonding to the calcium(II) or copper(II) ion, as evident from the experimental data.     

Transition from 1D to 2D Laser-Induced Ultrasonic Wave Propagation in an Extended Plate

Optodynamic interaction between a laser pulse and the surface of an opaque, solid elastic object produces transient waves that propagate and reverberate within the object. They can be, in general, categorized into three distinctive types which are all formed through different mechanisms: ablation-induced waves, light-pressure-induced waves, and thermoelastic waves. In this paper, out-of-plane displacements of such waves are simulated at the epicentral position on the opposite side of an extended plane-parallel elastic plate. Wave propagation is mathematically described by Green’s transfer functions convolved with suitable time profiles of the incoming laser pulses. The simulated size of the circularly symmetric laser-illuminated area on the plate surface is varied to show the limit-to-limit transition of the displacement waveforms: from a 2D point source to an infinite 1D source.     

Properties of autoclaved and thermally treated moulds made from γ-Ca2SiO4 and quartz at C/S ratios 0.5 to 1.5

From mixtures of γ-dicalcium silicate and quartz moulds were pressed and exposed to saturated steam (at 10, 15 and 20 atmospheres for 12, 24 and 48 hours). Under defined autoclaving conditions, by varying the C/S ratio, a more complete reaction between the starting components can be achieved, which results in better strenght properties of heated samples. The best compressive strengths (about 1900 kp/cm²) were exerted by moulds of composition C/S = 0.83, when they were autoclaved at 15 atmospheres for 48 hours. After heating at 1000°C, these moulds retained about 80% of their initial strength.     

Preparation of Phase‐Pure K0.5Na0.5NbO3 Fine Powders by a Solid‐State Reaction at 625°C from a Precursor Comprising Nb2O5 and K,Na Acetates

Phase‐pure K_0.5Na_0.5NbO₃ (KNN) fine powders were synthesized via a solid‐state route from a homogeneous solid mixture. A colloidal dispersion comprising a mixed ethanol solution of potassium and sodium acetates and Nb₂O₅ fine particles was attrition milled and dried carefully to avoid water absorption. Two‐step calcination in air at 450°C and 625°C, each for 3 h, resulted in the phase‐pure KNN powders. The volume‐based median diameter of the final product was ca. 0.8 μm. Starting from the same precursors without dissolving the acetates, the phase‐pure KNN was never achieved even when the two calcination temperatures were increased to 550°C and 700°C, in spite of the same milling conditions. Key issues of eliminating second phases were (i) starting from a wet‐milled mixture with a single solution containing both of the A‐site species, and (ii) repeated wet milling of the reaction mixture to disintegrate reaction‐induced agglomerates. These enabled rapid nuclei growth from chemically interacted precursor prior to calcination, and short diffusion path due to repeated deagglomeration, excluding formation of off‐stoichiometric second phases. All these items were confirmed by different analytical tools, among others, thermo‐gravimetry and differential thermal analysis (TG‐DTA), particle size analyses, and XPS at various reaction stages. On the heating stage microscope, a shrinkage onset was observed at 850°C, that is, 150 K lower than that of conventionally prepared KNN, that is, via a solid‐state synthesis from carbonates by a two‐step calcination at 800°C and 750°C, for 4 h each. No second phase was observed after sintering up to 1100°C.