Ueber die Wechselwirkung der Sole von Eisenoxydhydrat,Aluminiumoxydhydrat, Kieselsäure und Manganperoxyd

Ohne Zusammenfassung     

Erratum to: “Numerical simulation of the two-phase flow produced by spraying a liquid by a nozzle”

Technical Physics - Page 1010, left column, line 4 from bottom should read “radius RAPP” instead of “diameter DAPP” Page 1010, right column, before the formula (19) should...     

Catalytic Activity of Nickel and Iron Sulfides in the Degradation of Resins and Asphaltenes of High-Viscosity Oil in the Presence of Carbonate Rock Under Hydrothermal Conditions

Kinetics and Catalysis - A study was made of the laws of transformation of the composition of high-viscosity oil under hydrothermal conditions in a porous medium of carbonate rock in the presence...     

Calculation of electron-energy spectrum op the compound Co3Ti

The method of supplementary plane waves is used to calculate the electron-energy spectrum of the compound Co₃Ti. The dependence of the spectrum on the choice of electron configuration is analyzed. The possibility of separating the d band into bonding and antibonding states is considered.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 12, pp. 15–21, December, 1978.     

Electronic structure and stability relations of CaF2 and NaCl phases in a Ti-H system

Calculations are made of the electronic structures of TiH_0.73 and TiH hydrides having a NaCl crystal structure and TiH_1.5, TiH_0.73, and TiH having a CaF₂ structure. Estimates of their superconductivity temperature indicate that this should be significantly higher for the stoichiometric NaCl phase compared to nonstoichiometric phases. The results are compared with the characteristics of the χ phase of titanium hydride TiH_0.73 which undergoes a superconducting transition at 4.3 K. Fiz. Tverd. Tela (St. Petersburg) 40, 195–197 (February 1998)     

Acoustic study of adsorbed liquid layers

Interference measurements of small variations in the velocity and attenuation of surface acoustic waves (SAWs) are used to investigate water layers up to 15 nm thick adsorbed on the surface of a lithium niobate crystal. The frequency dependence of the relative variation of the SAW velocity with the adsorption of water vapor is measured in the range from 40 to 400 MHz. Acoustic techniques are used to experimentally estimate the frequency dependence of the dielectric constant of adsorbed water and its dipole relaxation frequency along with the dependence of the adsorption layer thickness on the water vapor pressure in the surrounding medium. A simple expression is proposed for calculating the dispersion of the SAW velocity in a solid loaded with a thin liquid layer.     

Combined interpolation scheme for calculating the electron energy spectra of alloys of 3d transition metals

A model Hamiltonian is used as the basis of a combined interpolation scheme for calculating the spectra of ordered alloys of 3d transition elements with the CsCl and Cu₃Au structures. The parameters of the model Hamiltonian are found for the alloys FeCo and Co₃Ti and the histograms of the density of states are calculated at 165 points in 1/48-th part of the Brillouin zone. The results are evidence of the effectiveness of the use of such a combined interpolation scheme in calculating the integrated characteristics of the electron structure of alloys with large numbers of atoms in a unit cell.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 6, pp. 65–70, June, 1980.     

Breakup of gas bubbles in a liquid by shock waves

The nature of the propagation of shock waves in various media is related to the characteristics of the latter, including their compressibility, thermophysical properties, the presence of multiple phases, etc. The structure of a shock wave varies appreciably as a function of the properties of the medium. The most significant property of a liquid mixture with gas bubbles is the compressibility of the latter under the influence of an externally applied pressure, for example, in a shock wave propagating in the liquid—gas medium. The transfer of momentum and energy between phases and the pressure variation behind the wave depends on the behavior of the gas bubbles behind the shock front.     

Insights into the dynamics of evaporation and proton migration in protonated water clusters from Large‐scale Born–Oppenheimer direct dynamics

Large‐scale on‐the‐fly Born–Oppenheimer molecular dynamics simulations using recent advances in linear scaling electronic structure theory and trajectory integration techniques have been performed for protonated water clusters around the magic number (H₂O)_nH⁺, for n = 20 and 21. Besides demonstrating the feasibility and efficiency of the computational approach, the calculations reveal interesting dynamical details. Elimination of water molecules is found to be fast for both cluster sizes but rather insensitive to the initial geometry. The water molecules released acquire velocities compatible with thermal energies. The proton solvation shell changes between the well‐known Eigen and Zundel motifs and is characterized by specific low‐frequency vibrational modes, which have been quantified. The proton transfer mechanism largely resembles that of bulk water but one interesting variation was observed. © 2012 Wiley Periodicals, Inc.     

Energetics and mechanisms for the unimolecular dissociation of protonated trioses and relationship to proton-mediated formaldehyde polymerization to carbohydrates in interstellar environments

We report the unimolecular decomposition of protonated glyceraldehyde, [HOCH(2)CH(OH)CHO]H(+), and protonated dihydroxyacetone, [HOCH(2)C(O)CH(2)OH]H(+). On the basis of mass spectrometric experiments and computational quantum chemistry, we have found that these isomeric ions interconvert freely at energies below that required for their unimolecular decompositions. The losses of formaldehyde and water (the latter also followed by CO loss) are the dominating processes, with formaldehyde loss having the lower energetic threshold. The reverse of the formaldehyde loss, namely, the addition of formaldehyde to protonated glycolaldehyde, appears to be an inefficient reaction at low temperature and pressure in the gas phase, leading to dissociation products. The relevance of these findings to interstellar chemistry and prebiotic chemistry is discussed, and it is concluded that the suggestion made in the literature that successive addition of formaldehyde by proton-assisted reactions should account for interstellar carbohydrates most likely is incorrect.