Numerical modeling of the disturbances of the separated flow in a rounded compression corner

Numerical modeling of the time-dependent supersonic flow over a compression corner with different roundness radii is performed on the basis of the solution of the two-dimensional Navier-Stokes equations in the regimes corresponding to local boundary layer separation. The development of unstable disturbances generated by local periodic injection/suction in the preseparated boundary layer is calculated. The results are compared with those of similar calculations for a flat plate. It is shown that the natural oscillations of the boundary-layer second mode stabilize in the separation zone and grow intensely downstream of the reattachment point. The acoustic modes excited within a separation bubble are studied using numerical calculations and an asymptotic analysis.     

On the Lagrange problem about the optimal form for circular hollow columnsSur le problème de Lagrange de la forme optimale d'une colonne circulaire aux parois minces

A new approach to the problem of finding the form of the strongest clamped circular column with thin walls of fixed volume and height is proposed. The same model describes also the form of the horizontal beam with rectangular vertical sections of a fixed height and variable widths. The existence and the uniqueness of the optimal column are proved here for the first time and the optimal form is found. To cite this article: Yu.V. Egorov, C. R. Mecanique 331 (2003).     

Solvation of cations in the LiNO3-Ca(NO3)2-H2O system at 25°C. A molecular dynamics simulation study

A series of solutions of the ternary LiNO₃-Ca(NO₃)₂-H₂O system is simulated under standard conditions by means of classical molecular dynamics (MD). Several variants of the potentials of interparticle interactions predicting different structures and compositions of the lithium cation hydration shell are used in the calculations. The coordination numbers of ions, the mean residence times of water molecules and nitrate anions in the solvation shells of cations, and the self-diffusion coefficients of solution components are estimated for all of the investigated systems. The structural features of the solvation shells of cations in multicomponent aqueous solutions are described on the basis of the obtained data.     

The electronic structure of 5-methylhexa-1,2,4-triene-1,3-diyl, the first representative of highly delocalized triplet ethynylvinylcarbenes, from ESR spectroscopy data and quantum chemical calculations

The ESR spectrum of the first representative of highly conjugated triplet ethynylvinylcarbenes, 5-methylhexa-1,2,4-triene-1,3-diyl (1), was recorded in solid argon matrix. The zero-field splitting (ZFS) parameters of carbene 1 (D = 0.5054±0.0006 cm^?1 and E = 0.0045±0.0002 cm^?1) determined from the experimental ESR spectrum are in between the corresponding parameters of ethynylcarbene C3H2 (2) and vinylcarbene C₃H₄ (3): D(3) < D(1) < D(2) and E(2) < E(1) < E(3). Quantum chemical calculations of the ZFS parameters of 1, 2, and 3 have been carried out for the first time using two DFT-based approaches, RODFT and UDFT. An analysis of the experimental and theoretical ZFS parameters shows that carbene 1 is characterized by a greater extent of delocalization of the spin density of unpaired electrons than carbenes 2 and 3. The characteristic structural fragments of carbene 1 possess the principal features of the electronic structure of both ethynylcarbene (2) and vinylcarbene (3), respectively. Magnetic spin-spin interactions are identical in carbenes 1 and 2. The dominant contribution to D in 1 and 2 results from the one-center spin-spin interactions on carbon atoms in the propynylidene group, which are subjected to strong spin polarization.     

Numerical modeling of the processes within the combustion chamber of a solid propellant rocket engine during the stabilization of the design operation mode

Comprehensive numerical modeling of the processes occurring in the combustion chamber of a solid propellant rocket engine during the stabilization of the design operation mode is performed. The self-consistent problem considered includes nonstationary operation of an ignition device, warmup and ignition of a solid propellant charge followed by its nonstationary burning, nonstationary threephase homogeneous-heterogeneous flow of the combustion products in the combustion chamber, in the nozzle, and behind the engine nozzle unit, engine depressurization, and nozzle unit plug blowing-out. The results of the calculations are presented.     

Synthesis of Substituted Bis-Semicarbazides by Reaction of Hexamethylene Diisocyanate with Hydrazine Derivatives

Russian Journal of General Chemistry - New bis-semicarbazides were obtained by the reaction of hexamethylene diisocyanate with aliphatic and aromatic acids hydrazides, as well as semicarbazide,...     

Numerical Simulation of the Receptivity of a Supersonic Boundary Layer to Acoustic Disturbances in Compression and Rarefaction Flows

Doklady Physics - The receptivity of a boundary layer on a flat plate to acoustic disturbances in an incoming supersonic gas flow is studied numerically. Angles of attack are considered, at which...     

2-Imidazoline Nitroxide Derivatives of Cymantrene

The 2-imidazoline nitroxide derivatives of cymantrene—2-(η⁵-cyclopentadienyl)tricarbonylmanganese(I)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl (NNMn) and 2-(η⁵-cyclopentadienyl)tricarbonylmanganese(I)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-1-oxyl (INMn) were synthesized. It was shown that NNMn and INMn exhibit a sufficiently high kinetic stability both in solids and in solutions under normal conditions. Their structural characteristics, magnetic properties and electrochemical behavior are close to Re(I) analogs. This opens the prospect of using paramagnetic cymantrenes as prototypes in the design of Re(I) half-sandwiched derivatives for theranostics, where therapy is combined with diagnostics by magnetic resonance imaging due to the contrast properties of nitroxide radicals.     

It spectroscopic study of the interaction of chlorosilanes with the surface of aerosil

The surface-chemical reactions of the chlorosilanes

$$\left( {\begin{array}{*{20}c} {} & {} & {} & {{\text{CH}}_{\text{3}} } & {} & {} & {{\text{CH}}_{\text{3}} } & {} \\ {} & {} & {} & {} & {} & {} & {} & {} \\ {{\text{CL}}_{\text{3}} {\text{SiH,}}} & {{\text{CL}}_{\text{3}} {\text{Si}}} & {} & {} & {,{\text{ ClSi}}} & {} & {} & {\text{H}} \\ {} & {} & {} & {} & {} & {} & {} & {} \\ {} & {} & {} & {\text{H}} & {} & {} & {{\text{CH}}_{\text{3}} } & {} \\ {} & {} & {} & {} & {} & {} & {} & {} \\ \end{array} } \right)$$