The influence of phosphorus on the structure and hydrodesulfurization activity of sulfided Fe and Fe-Mo catalysts supported on carbon and alumina

Phosphorus-containing Fe and Fe?Mo sulfide catalysts supported on γ-Al₂O₃ and activated carbon were evaluated for their thiophene HDS activities at atmospheric pressure. The thiophene HDS activity of the carbon-supported catalysts decreased considerably in the presence of phosphorus, while the activity of the alumina-supported catalysts was not affected. It was shown by Mössbauer spectroscopy that in both the oxidic carbon- and alumina-supported catalyst precursors the presence of phosphorus resulted in an improved dispersion of the Fe phase. In the sulfided carbon-supported Fe and Fe?Mo catalysts, the presence of phosphorus resulted in the formation of an “Fe(II)-phosphate” phase, which was held responsible for the decrease in HDS activity. With regard to the sulfided alumina-supported catalysts, it was found that phosphorus did not influence the structure of the metal sulfide species.     

Isospin selection rules for real photons observed in the6Li(γ,d) reaction

The high spin structure of the nucleus¹²⁹Ba has been investigated using a¹⁸O induced reaction. The known bands could be followed up to a maximum spin (55/2) ?. Some 56 states and 78 transitions could be placed in the level scheme. Band crossings were established in both positive and negative parity structures. They display features of strong polarization effects due to the alignment of h_11/2 protons.     

Advances in theoretical and experimental XAFS studies of thermodynamic properties,anharmonic effects and structural determination of fcc crystals

Thermodynamic properties, anharmonic effects and structural determination of fcc crystals have been studied based on the theoretical and experimental Debye–Waller factors presented in terms of cumulant expansion up to the third order, thermal expansion coefficient, X-ray absorption fine structure (XAFS) spectra and their Fourier transform magnitudes. The advances in these studies are performed by the further development of the anharmonic correlated Einstein model primary only for approximating three first XAFS cumulants into the method using that all the considered theoretical and experimental XAFS parameters have been provided based on only the calculated and measured second cumulants. The obtained cumulants describe the anharmonic effects in XAFS contributing to the accurate structural determination. Numerical results for Cu are found to be in good agreement with the experimental values extracted by using the present advanced method and with those obtained by the other measurements.     

Critical Behavior of the Annealed Ising Model on Random Regular Graphs

In Giardinà et al. (ALEA Lat Am J Probab Math Stat 13(1):121–161, 2016), the authors have defined an annealed Ising model on random graphs and proved limit theorems for the magnetization of this model on some random graphs including random 2-regular graphs. Then in Can (Annealed limit theorems for the Ising model on random regular graphs, arXiv:1701.08639, 2017), we generalized their results to the class of all random regular graphs. In this paper, we study the critical behavior of this model. In particular, we determine the critical exponents and prove a non standard limit theorem stating that the magnetization scaled by \(n^{3/4}\) converges to a specific random variable, with n the number of vertices of random regular graphs.     

Intersubband magnetoplasmon as a detector of the spin polarization in two-dimensional electron systems

The magnetic field dynamics of intersubband collective excitations in two-dimensional electron systems based on Mg _x Zn_1-x O/ZnO heterostructures is studied by the Raman scattering method. It is found that, upon the change in the spin polarization under conditions of the transition from the filling factor ν = 2 to ν = 1, the energy of the intersubband magnetoplasmon changes considerably. The performed theoretical analysis shows that this effect is attributed to the concomitant change in the exchange interaction in the excitation energy.     

High pressure 17O NMR study of solvent exchange on square planar complexes: Water exchange on [Pd(dien)H2O]2+

Abstract

The water exchange reaction of [Pd(dien)H₂O]²⁺ (dien = diethylenetriamine) was studied as function of temperature (268-308 K) and pressure 0.1-197 MPa) using ₁₇O NMR techniques. The rate and activation parameters are: k_cx = 5100 s^?1 at 298 K; ΔH^# =38 kJ mol^?1; ΔS^# = -47 JK^?1 mol^?1; ΔV^# = -2.8 cm³ mol^?1 at 296 K. The results are discussed in reference to solvent exchange data for other Pt(II) and Pd(II) complexes, and are interpreted in terms of an associatively activated substitution process.     

Superspace groups and superstructures: NbS3

The application of superspace groups to short-period superstructures is considered. For niobium tri-sulfide this is worked out in detail. It is shown that in that case the superspace group provides more symmetry then given by the space group of the supercell. Its consequences for the structure, the diffraction pattern and tensor-properties are discussed.     

Implicit LU-SGS algorithm for high-order methods on unstructured grid with p-multigrid strategy for solving the steady Navier–Stokes equations

The fluid dynamic equations are discretized by a high-order spectral volume (SV) method on unstructured tetrahedral grids. We solve the steady state equations by advancing in time using a backward Euler (BE) scheme. To avoid the inversion of a large matrix we approximate BE by an implicit lower–upper symmetric Gauss–Seidel (LU-SGS) algorithm. The implicit method addresses the stiffness in the discrete Navier–Stokes equations associated with stretched meshes. The LU-SGS algorithm is then used as a smoother for a p-multigrid approach. A Von Neumann stability analysis is applied to the two-dimensional linear advection equation to determine its damping properties. The implicit LU-SGS scheme is used to solve the two-dimensional (2D) compressible laminar Navier–Stokes equations. We compute the solution of a laminar external flow over a cylinder and around an airfoil at low Mach number. We compare the convergence rates with explicit Runge–Kutta (E-RK) schemes employed as a smoother. The effects of the cell aspect ratio and the low Mach number on the convergence are investigated. With the p-multigrid method and the implicit smoother the computational time can be reduced by a factor of up to 5–10 compared with a well tuned E-RK scheme.