N. B. Naumova, R. P. Makarikova, V. V. Tarakanov, N. A. Kuz'mina, T. N. Novikova, L. I. Milyutin
Keywords: soil, chemical properties, microbiological properties, Scotch pine climatypes, field experiment
Pages: 287-292
By using multivariate statistical analysis, the influence of Scotch pine climatypes on the set of chemical and microbiological properties of soil, i. e. soil C/N, Cmic/Corg and Cmic/Nmic, was revealed in a series of long-term (ca. 30 years) field experiments, established according to a similar set-up scheme under contrasting environmental and soil conditions of Siberian forestries.
S.N. Yakovenko1, K.C. Chang2 1 National Cheng-Kung University, Tainan, Taiwan 2 Khristianovich Institute of Theoretical and Applied Mechanics SB RAS, Novosibirsk, Russia
Pages: 169-186
The broken dam problem flow is tested to check accuracy of different procedures for gas-liquid interface resolution based on solution of the additional equation for the volume fraction of liquid phase. The study is focused on the numerical schemes used to approximate advection fluxes of this equation. In particular, the MUSCL scheme with QUICK interpolants and compressive minmod TVD limiters with the slope modification technique for the volume fraction fluxes is applied, as well as the upwind- downwind donor acceptor procedure designed in the VOF method. As the first stage, the quite simple and explicit procedure adopting the artificial compressibility method is used to solve the velocity and pressure equations. Computations are initially performed with a careful grid and time step independence studies. Importance of the wall boundary condition is also discussed. To present free surface motion, results of numerical investigation are shown in terms of contour plots for the volume fraction at successive times, as well as surge front and column height positions versus time.
O.N. Kashinsky1, E.V. Kaipova2 1Kutateladze Institute of Thermophysics SB RAS, Novosibirsk, Russia 2 Kutateladze Institute of Thermophysics SB RAS, Novosibirsk, Russia
Pages: 187-195
Results of experimental investigation of a bubbly gas-liquid flow in horizontal and weakly inclined (from −20° to +20°) flat channel are presented. These measurements were carried out within the 0.2-1 m/s range of superficial velocities and volumetric gas flow rate ratio of up to 0.2. The hydrodynamic structure was measured by the electrochemical method with application of wall shear stress and conductivity microprobes. During the experiments signals of shear stress on the upper channel wall and local gas flow rate ratio were recorded completely. After numerical treatment of recorded signals the profiles of local gas flow rate ratio were obtained, average shear stress and its relative mean square pulsations on the upper channel wall were determined. It is shown that under the studied regimes the bubbles are grouped into clusters, and the bubbly flow is presented by alternation of bubbly clusters and single-phase liquid with separate bubbles and without them. Average wall shear stress and absolute shear stress pulsations in the range of bubbly clusters and beyond them were determined. Histograms of probability density distribution were obtained for the wall shear stress on the upper wall. It is shown that average shear stress and absolute pulsations in clusters are significantly higher than those in the flow zone free from bubbles.
V.N. Vetlutsky1, V.L. Ganimedov2, M.I. Muchnaya3 1 Khristianovich Institute of Theoretical and Applied Mechanics SB RAS, Novosibirsk, Russia 2 Khristianovich Institute of Theoretical and Applied Mechanics SB RAS, Novosibirsk, Russia 3 Khristianovich Institute of Theoretical and Applied Mechanics SB RAS, Novosibirsk, Russia
Pages: 197-203
The ideal gas exhaustion from an infinite volume into a gas at rest through a supersonic conical Laval nozzle is considered. The problem was solved numerically by steadying in time in a unified formulation for the regions inside the nozzle and in the ambient environment. In such a statement, the nozzle outlet section is no internal boundary of the region under consideration, and there is no need of specifying the boundary conditions here. Local subsonic zones arising in the flow lie inside the region under consideration, which eliminates the possibility of using a marching technique along one of the coordinates. The numerical solution is constructed by a unified algorithm for the entire flow region, which gives a possibility of obtaining a higher accuracy. The computations are carried out in the jet initial interval, where, according to monograph [1], the wave phenomena predominate over the viscous effects. The exhaustion process is described by the system of gas dynamics equations. Their solution is constructed with the aid of a finite difference Harten's TVD (Total Variation Diminishing) scheme [2], which has the second approximation order in space. The second approximation order in time is achieved with the aid of a five-stage Runge−Kutta method. The solution algorithm has been parallelized in space and implemented on the multi-processor computer systems of the ITAM SB RAS and the MVS-128 of the Siberian Supercomputer Center of SB RAS. The influence of the semi-apex angle of the nozzle supersonic part and the pressure jump between the nozzle outlet section and the ambient environment on the flow in the initial interval of a non-isobaric jet is investigated in the work. A comparison with experimental data is presented. The computations are carried out for the semi-apex angles of the nozzle supersonic part from 0 (parallel flow) to 20 degrees. For all considered nozzles, the Mach number in the nozzle outlet section, which was computed from the one-dimensional theory, equaled three. Computations showed that in the case of flow acceleration in a conical supersonic nozzle, its geometry is one of the main factors determining the formation of the jet initial interval in ambient environment.
V.I. Terekhov1, N.I. Yarygina2, YA.I. Smulsky3 1 Kutateladze Institute of Thermophysics SB RAS, Novosibirsk, Russia 2 Kutateladze Institute of Thermophysics SB RAS, Novosibirsk, Russia 3 Kutateladze Institute of Thermophysics SB RAS, Novosibirsk, Russia
Pages: 205-213
Results of an experimental study of turbulent flow past a flat rib installed at an angle to the free-stream direction are reported. In the experiments, external flows with two different turbulence numbers were used, and the angle of rib inclination to the free stream was varied from 50 to 90°. The experiments were performed for ribs of various heights under conditions with natural and high (13.4 %) free-stream turbulence levels. Visualization tests were performed to elucidate the vortex formation pattern and the direction of flow streamlines. Deformations of the recirculation region and secondary-vortex zone as well as enhanced effects due to 3D flow structure observed on decreasing the angle φ, and also notable restructuring of the flow at a high free-stream turbulence intensity, were identified. A comparison between pressure coefficients in different longitudinal sections of the channel is reported for ribs of various heights installed at various angles φ. The influence of rib inclination angle, rib height, and free-stream turbulence number on local heat-transfer coefficients and heat-transfer intensification is analysed.
A. G. Shabanov, T. I. Shorokhova
Keywords: informatization in education, pedagogue, system of distant education, psychological-pedagogical, technological, education
Pages: 342-346
With the active usage of resources of informatization in education, the pedagogue realizes his/her own activity in a new pedagogical area. In the article, we envisage the specificity of preparation of the pedagogue for the work in the system of distant education. There are indicated the main directions of the program of preparation: psychological-pedagogical, technological, and technical ones. There is represented a thematic plan of the course, described the structure of preparation of the pedagogue to the work in the conditions of distant education.
Quantum chemical calculations were used to estimate the bond dissociation energies (BDEs) for 13 substituted chlorobenzene compounds. These compounds were studied by employing the hybrid density functional theory methods (B3LYP, B3PW91, B3P86) with 6-31G** and 6-311G** basis sets. It was demonstrated that B3P86/6-311G** method is the best method for computing the reliable BDEs for substituted chlorobenzene compounds which contain the C-Cl bond. It was found that the C-Cl BDE depends strongly on a computational method and basis set used. Substitution effect on the C-Cl BDE of substituted chlorobenzene compounds is further discussed. It is shown that the effects of substitution on the C-Cl BDE of substituted chlorobenzene compounds are very insignificant. Frontier orbital energy gap of studied compounds was also investigated. From the data on frontier orbital energies gap, we estimated the relative thermal stability of substituted chlorobenzene compounds.
M. Monajjemi, B. Honarparvar, S.M. Nasseri, M. Khaleghian
Keywords: nuclear magnetic resonance, nuclear quadrupole resonance, hydrogen bonding interactions, ab initio, density functional theory, DFT
Pages: 73-78
In this paper extensive systematic computational study has been carried out to justify hydrogen bonding interactions and its influence on the oxygen, nitrogen and hydrogen NQR and NMR parameters of the anhydrous and monohydrated guanine crystal structures at two different levels, B3LYP and MP2, using 6-311++G** and D95** basis sets. These theoretical data have been compared with experimental NMR and NQR measurements. For further investigation, results of cluster calculations have been compared with that of a single molecule. Our theoretical NQR and NMR parameters of 17O, 15N and 2H atoms of anhydrous and monohydrated guanine exhibited extreme sensitivity to electron distribution around mentioned nuclei caused by cooperative influences of various types of hydrogen bonding interactions. Fortunately, our calculated isotropic shielding values and CS tensors for the 17O and 15N nuclei as well as obtained 14N-NQR parameters are in excellent agreement with experimental data. Therefore, we can undoubtedly conclude that for anhydrous and monohydrated guanine tetrameric clusters including intermolecular interactions, our theoretical estimates are in better agreement with observed experimental values than those in which these interactions have been ignored.
6-O-Methylerythromycin A (clarithromycin) ethanol solvate, C38H69NO13⋅0.5(C2H5OH), crystallizes in orthorhombic space group P212121 with a = 8.8459(14), b = 14.616(2), c = = 38.787(8) Å, V = 5014.9(15) Å3, Z = 4. The conformation of clarithromycin in the title compound is essentially the same as that in previously studied clarithromycin unsolvated crystal and its methanol solvate. However, the crystal structure of the title compound differs from the previously studied structures due to differences in hydrogen bonding which lead to different molecular packing arrangements. The lactone carbonyl oxygen atom is not involved in hydrogen bonding, which is consistent with IR data.