2.6 Lebensmittel

Referate2 Spezielle Produkte und Anwendungsgebiete

2.6 Lebensmittel     

2.4 Umweltrelevante Matrices

Ohne Zusammenfassung     

Molecular dynamics study of the reaction C<Subscript>3</Subscript> + H <Subscript>3</Subscript><Superscript>+</Superscript>

Both a quantum molecular dynamic method and high level ab initio calculations (MP2, CCSD(T)) have been used to investigate the mechanism of the C₃ + H₃⁺ reaction, which is part of the ion chemistry in interstellar clouds. Furthermore statistic initial orientations in collision simulations have been set up in order to determinate reaction cross-sections and rate coefficients of all occurring reaction channels. Our analysis shows that the revealed mechanism is strongly determined by dynamic effects.     

Probing molecular free energy landscapes by periodic loading

Single molecule pulling experiments provide information about interactions in biomolecules that cannot be obtained by any other method. However, the reconstruction of the molecule's free energy profile from the experimental data is still a challenge, in particular, for the unstable barrier regions. We propose a new method for obtaining the full profile by introducing a periodic ramp and using Jarzynski's relation for obtaining equilibrium quantities from nonequilibrium data. Our simulated experiments show that this method delivers significant more accurate data than previous methods, under the constraint of equal experimental effort.     

Spin-singlet clusters in the ladder compound NaV2O5

The space group of alpha(')-NaV2O5 turns below T(c) = 34 K from Pmmn with all V sites equivalent, into Fmm2 with three independent vanadium sites per layer. This is incompatible with models of charge ordering into V4+ and V5+. Our structure determination indicates that the phase transition consists of a charge ordering with three distinct valence states, formally V4+, V4.5+, and V5+. The singlet formation is not associated with dimerization on the spin ladder, but with the formation of spin clusters. Finally, we ascribe the quadrupling of the c axis to the large polarizability of the V2O5 skeleton.     

Evidence for negative cross correlations in vibrational dephasing in liquids: isotropic raman-line shift and width phenomena in isotopic mixtures of N2 and O2

To experimentally confirm the hypothesis of negative cross terms between different dephasing mechanisms, potentially leading to a broadening of the isotropic Raman line upon isotopic dilution, we present a detailed study on the concentration dependencies of all of the line shifts and widths in the four isotopic mixtures of type (15N14N)(x)-(14N2)(1-x), (15N2)(x)-(14N2)(1-x), (15N2)(x)-(15N14N)(1-x), and (16O2)(x)-(18O2)(1-x) near the normal boiling point of nitrogen at T = 77.35 K. A quite disparate behavior of the nitrogen oscillators compared to the oxygen oscillators was observed in respect to a change of their isotopic baths.     

Dependence of pulser driving responses on electrical and motional characteristics of NDE ultrasonic probes

Acoustic performance in ultrasonic transmitters can be improved by means of a suitable electrical driving response and matching/tuning networks. It is important to predict this electrical response, but doing so is not easy because it departs notably from the nominal pattern with the loading probes. In practice, the analysis of HV pulser spikes in NDE applications requires fairly complex models in the transient regime and, in addition, non-linear problems could arise, especially in the case of tuned transmitters. In this paper, the most relevant influences of loading characteristics of NDT ultrasonic probes on the pulser electrical driving responses are evaluated in time and frequency domains. Conventional pulse generators and typical NDE pulsers are considered. Driving responses are analysed across commercial ultrasonic probes and, alternatively, across similar purely electrical loads. Distinct influences on pulser responses from electrical and motional sections of the probes are identified. All these aspects are studied on the basis of experimental and computer results.     

Die Herstellung von Aluminiumnitrid

Zur Erzeugung von Kohlenstoff-14 in Kernreaktoren nach der Gleichung N-14 (n, p) C-14 wird auf Grund vieler physikalischer Parameter, wie hohe Temperaturbeständigkeit, holier Stickstoffgehalt (bezogen auf die Masseeinheit) und geringerer Einfangsquerschnitt für Neutronen der metallischen Komponente sowie relativ leichte Abtrennung des gebildeten Kohlenstoffs Aluminiumnitrid eingesetzt. Die Amvendung des Aluminiumnitrids fur die angeführte Kernreaktion erfordert den Einsatz von reinsten Materialien, besonders den Ausschluß von Kohlenstoff und dessen Verbindungen. Aus diesem Grunde ist es nicht möglich, das in der Technik angewandte Verfahren, die Herstellung aus Bauxit, anzuwenden.