Eine Methode zur Trennung und Isolierung von Detergentien und detergierten Stoffen

Ohne Zusammenfassung     

Hot electron relaxation in one-dimensional models: exact polaron dynamics versus relaxation in the presence of a Fermi sea

We present the exact solution for the time evolution of the electron and phonon momentum distribution for a one-dimensional polaron model with alinear electronic energy dispersion. The electron momentum distribution is shown to obey aMarkovian quantum kinetic equation. Numerical results for the polaron model are compared to the corresponding exact results, when the negative momentum states are filled in the initial state. The presence of this Fermi sea modifies the dynamics except in the short time regime. The different, long time dynamics might show up in comparison of hot electron relaxation of undoped and doped semiconductors.     

On the total energy of two-electron atoms

Using the Multi-Configuration Dirac-Fock (MCDF) method we calculate with 9 configuration state functions the correlation energy as well as the total energy of the lowestJ=0 ground state of all two-electron systems from H^? to Thorium (Z=90). A comparison with experimental data, which are available only in the lowZ region, shows a very good agreement.     

Theoretical study of the 5p56s – 5p6 spectra of neutral xenon

Recent high precision measurements on the lifetime of the metastable 6s[3/2]₂ state of atomic xenon display a difference with previous predictions by a factor of 2–3. In the present work, a systematic relaxation and correlation approach, which has been developed on the basis of a widely used multi-configuration Dirac-Fock method, is applied to study the electric dipole allowed E1 and forbidden M1, E2 and M2 transitions between the 5p⁵ 6s and 5p⁶ configurations. We systematically include the correlation effects which arise from all the single and double excitations from the occupied shells into the (n=6–10) active sets and the relaxation effects caused by change of the electron density between the radiative initial- and final-states. This study not only reduces greatly the existing discrepancy in the lifetime of the 6s[3/2]₂ state, but also presents rather consistent results for both the lifetime of the metastable 6s'[1/2]₀ state and the oscillator strength of the 5p⁵ 6s - 5p⁶ E1 resonant transitions.     

How to speed up the detection of aerobic microbial contaminations by using isothermal microcalorimetry

Journal of Thermal Analysis and Calorimetry - A sudden expansion is a classical problem which is happened in different industries such as energy conversion, environmental control, and chemical...     

Ba6(MN4)N2–x (M = MoVI/TaV), a Subvalent Nitridometalate with Perovskite‐like Crystal Structure

The subvalent nitridometalate Ba₆[(Mo_1–xTa_x)N₄]N_0.86 was prepared from mixtures of Mo powder with Ba, Na, and Ba₂N at 600 °C in Ta ampoules. It crystallizes in space group Cmcm with a = 11.672(3), b = 10.177(2) and c = 10.8729(19) Å. Its crystal structure exhibits an orthorhombically distorted Perovskite topology with [Ba₆N] building units forming the ReO₃‐type lattice via common vertices, and the nitridometalate anions occupying half of the available distorted cuboctahedral interstices. [MN₄] anions show statistically mixed occupancy of M by Mo^VI and Ta^V. They show no notable deviation from nitridometalate anions in known ionic nitridomolybdates and ‐tantalates, and the metrics of the [Ba₆N] octahedra correspond to those found in similar subvalent compounds. The nitrogen atom position centering the [Ba₆N] octahedra is underoccupied. Band structure calculations corroborate the subvalent character of the compound and the two individual anionic structural building units.     

Dimethylthioarsinic anhydride: a standard for arsenic speciation

Dimethylthioarsinic acid (DMTA^V) has recently been identified in biological, dietary and environmental matrices. The relevance of this compound to the toxicity of arsenic in humans is unknown and further exposure assessment and metabolic studies are difficult to conduct because of the unavailability of a well characterized standard. The synthesis of DMTA^V was accomplished by the reaction of dimethylarsinic acid (DMA^V) with hydrogen sulfide. The initial reaction product produced is DMTA^V but multiple products over the course of the reaction are also observed. Therefore, a chromatographic separation was developed to monitor the reaction progress via LC-ICP-MS. In this synthesis, conversion of DMA^V to DMTA^V was not taken to completion to avoid the production of side products. The product was isolated from the starting material by standard organic techniques. Single crystal diffraction demonstrated that solid DMTA^V is present in the form of the oxygen-bridged dimethylthioarsinic anhydride. Dissolution of the anhydride in water produces the acid form of DMTA^V and the aqueous phase DMTA^V provided a characteristic molecular ion of m/z 155 by LC-ESI-MS. The synthesis and isolation of dimethylthioarsinic anhydride provides a stable crystalline standard suitable for identification, toxicological study and exposure assessment of dimethylthioarsinic acid.     

Manipulation of Cu adatoms on anisotropic Cu surfaces using scanning tunneling microscopy

The physical origin of tip-induced motion of Cu adatoms on anisotropic Cu surfaces is investigated by means of total energy calculations which are based on three different semi-empirical potentials. The calculations show that for certain tip–adatom distances the activation barrier for the adatom to move towards the tip disappears completely, whereas the barrier in the opposite direction increases and the adatom experiences an attractive force towards the tip. The general trends do not depend on the shape and chemical nature of the tip, but quantitatively there appear differences.