从电子流动观点看催化剂在有机反应中的作用

分析和总结了催化剂催化有机化学反应的4种基本方式,包括建立电子流动通道、改变电子流动属性、加强电子流动能力和稳定电子流动结果。本文旨在揭示有机化学反应中催化剂作用的本质,以便学生更加深刻理解并掌握有机化学反应。     

Doppler effects of an oscillating line source in shear flow with a free surface

The linearised water-wave radiation problem for the oscillating 2D submerged source in an inviscid shear flow with a free surface is investigated analytically. There is a nonzero surface velocity. The depth is infinite and the vorticity is uniform. The amplitudes radiated from the source are calculated analytically. Due to Doppler effects, there may be up to four different emitted waves, and there is resonance with zero group velocity and infinite amplitude.     

Incompressible fluid flow simulations with flow rate as the sole information at synthetic inflow and outflow boundaries

In numerically simulating heat and mass transport processes in an unconfined domain involving synthetic open (inflow and/or outflow) boundaries, how to properly specify flow conditions at these boundaries can become a challenging issue. In this work, within the context of a pressure‐based finite volume method under an unstructured grid, a solution procedure without the need for explicit specification of flow profiles at any of these boundaries when simulating incompressible fluid flow is proposed and numerically examined. Within this methodology, the flow at any open boundary is not necessarily assumed to be unidirectional or fully developed; indeed, the sole information required is the mass flow rate crossing the boundary. As a result, one can select the specific region of interest to perform simulations, rather than having to artificially increase the flow domain so as to invoke fully developed flow at all open boundaries. This not only greatly reduces computational costs (both in terms of memory requirements and simulation run‐time) but provides the means to engage with flow problems, which otherwise cannot be solved with currently available methods for handling the flow conditions at open boundaries. The proposed methodology is demonstrated by simulating laminar flow of an incompressible fluid in a two‐dimensional planar channel with a 90° T‐branch, a known inflow rate, and flow splits for the two outflow channels. The results obtained by placing the entrance and the two exits at different locations show that the flow behavior predicted is completely unaffected by using a highly truncated domain. Copyright © 2015 John Wiley & Sons, Ltd.     

Flow dynamics in the short asymmetric Taylor-Couette cavities at low Reynolds numbers

This paper reports on the numerical investigations of Taylor-Couette flow of radius ratio η = 0.25–0.6 performed at low Reynolds numbers Re = 100–200. The inner cylinder and the bottom end-wall rotate, while the outer cylinder and the top end-wall are held fixed. A fully 3D DNS code based on the spectral Chebyshev – Fourier approximation is used. This study is complementary to those of Mullin and Blohm (Phys. of Fluids 2001, vol 13, 136–140) and Lopez et al. (J. Fluid Mech. 2004, vol 501, 327–354) where investigations have been performed for radius ratio 0.5. The 1-cell and 3-cell structures found by these authors are shown to exist for a wide range of radius ratios, and the transition processes between them are qualitatively similar. These structures show hysteresis, disappearing at saddle-node bifurcations which connect at a cusp point in the (Re, Γ) plane. This cusp exists for the entire range of 0.1 < η < 0.75, and it traces out a parabolic curve in the (Re, Γ) plane, reaching a minimum Re at η = 0.375. The detailed 3D DNS computations provide a lot of new information about such phenomena as the modulated rotating wave, the period doubling cascade and homoclinic collision. The results show that the period doubling bifurcation is important in the flow when the radius ratio is close to η = 0.375.     

Downstream evolution of junction flow three-component velocity fluctuations through the lens of the diagnostic plot

Experimental measurements of the streamwise and transverse velocity components have been acquired in three spanwise/wall-normal planes in the wakes of both a streamlined ‘wing’ and a bluff ‘wing’ junction. The ‘extended’ diagnostic plot introduced by Alfredsson et al. (2011) (see figure 3 therein) is used as a benchmark to locally evaluate the departure of turbulent wing-body junction flow wakes from ‘equilibrium’ boundary layers. Both obstacles produce a secondary flow of Prandtl’s first kind, which disrupts the equilibrium implied by the universality of the extended diagnostic plot. The plane wake of the obstacle itself (away from the junction) also disrupts this equilibrium. It is found that with downstream development the boundary layer eventually recovers to the base zero-pressure-gradient ‘equilibrium’, and that this recovery process emanates from the near-wall region. The transverse velocity components are also examined in “extended diagnostic” form, revealing that the wall-normal fluctuations recover to the zero-pressure-gradient case near the wall more rapidly than the wall-parallel components.     

On the inflation and deflation dynamics of liquid-filled,hyperelastic balloons

We derive a reduced-order model describing the inflation and deflation dynamics of a liquid-filled hyperelastic balloon, focusing on inviscid laminar flow and the extensional motion of the balloon. We initially study the flow and pressure fields for dictated motion of the solid, which throughout deflation are obtained by solving the potential problem. However, during inflation, flow separation creates a jet within the balloon, requiring a different approach. The analyses of both flow regimes lead to a simple piecewise model, describing the fluidic pressure during inflation and deflation, which is verified by finite element computations. We then use a variational approach to derive the equation describing the interaction between the extensional mode of the balloon and the entrapped fluid, yielding a nonlinear hybrid oscillator equation. Analytical and graphical investigations of the suggested model are presented, shedding light on its static and dynamic behaviour under different operating conditions. Our simplified model and its underlying assumptions are verified utilizing a fully coupled finite element scheme, showing excellent agreement.     

Synthesis of Redox-Active Photochromic Phenanthrene Derivatives

A phenanthrene unit has been functionalized by several methylthiophene units in order to bring it a photochromic behavior. These compounds were characterized by NMR, absorption and emission spectroscopies, theoretical calculations as well as cyclic voltammetry. The association of a phenanthrene group with a photochromic center could open the door to a new generation of organic field-effect transistors.     

Addition of SiO2 to the operation of a polyimide cathode in a sodium battery

The effect of the addition of SiO₂ nanoparticles on the properties of a polyimide cathode was explored by CV, XPS, and galvanostatic cycling methods. The capacity and average cycling potential of the cell increased in the presence of SiO₂. By quantum chemical modeling, it was shown that SiO₂ nanoparticles served as a framework for polyimide, which retained its fixed structure upon metalation with sodium.