Baeyer-Villiger Oxidation of Cyclohexanone with Molecular Oxygen in the Presence of Benzaldehyde

The metal-catalyzed Baeyer-Villiger oxidation of cyclohexanone with molecular oxygen (latm) in the presence of benzaldehyde gives δ -caprolactone in high yield. The same oxidation in the absence of metal catalysts is also studied. Additives to the system can improve the reaction highly efficiently.     

Multiscale cumulative residual distribution entropy and its applications on heart rate time series

Nonlinear Dynamics - Distribution entropy has been proved to reveal stability for short time series and to distinguish different classes of series by complexity. However, there still exists some...     

植物病毒病化学防治剂的探寻──Ⅲ．2，4－二氧六氢－1，3，5－三嗪N－酰基取代化合物的合成

以２，４－二氧六氢－１，３，５－三嗪为先导化合物，引入不同的酰基，进行Ｎ－酰化结构改造，合成了７个新化合物，抗病毒活性测试表明，其中４个化合物对ＴＭＶ的抑制率达到５０％～５３％，与参照物ＤＡＤＨＴ接近．     

Encoding of polycyclic Si-containing molecules for determining species uniqueness in automated mechanism generation

Automated mechanism generation is an attractive way to understand the fundamental kinetics of complex reaction systems such as silicon hydride clustering chemistry. It relies on being able to tell molecules apart as they are generated. The graph theoretic foundation allows molecules to be identified using unique notations created from their connectivity. To apply this technique to silicon hydride clustering chemistry, a molecule canonicalization and encoding algorithm was developed to handle complex polycyclic, nonplanar species. The algorithm combines the concepts of extended connectivity and the idea of breaking ties to encode highly symmetric molecules. The connected components in the molecules are encoded separately and reassembled using a depth-first search method to obtain the correct string codes. A revised cycle-finding algorithm was also developed to properly select the cycles used for ring corrections when thermodynamic properties were calculated using group additivity. In this algorithm, the molecules are expressed explicitly as trees, and all linearly independent cycles of every size in the molecule are found. The cycles are then sorted according to their size and functionality, and the cycles with higher priorities will be used to include ring corrections. Applying this algorithm, more appropriate cycle selection and more accurate estimation of thermochemical properties of the molecules can be obtained.     

The initial transient of natural convection during copper electrolysis in the presence of an opposing Lorentz force: Current dependence

Magnetic fields are well-established in electrochemistry as an attractive tool to improve both the quality of the deposit as well as the deposition rate. The key mechanism is a mass transfer enhancement by Lorentz-force-driven convection. However, during electrolysis this convection interacts with buoyancy-driven convection, which arises from concentration differences, in a sometimes intriguing way. In the case of a Lorentz force opposing buoyancy, this is due to the growth of a bubble-like zone of less-concentrated cupric ion solution at the lower part of the vertical cathode when copper electrolysis is performed. If buoyancy is strong enough to compete with the Lorentz force, this zone rises along the cathode and causes surprisingly unsteady initial transient behaviour. We explore this initial transient under galvanostatic conditions by analyzing the development of the concentration and velocity boundary layers obtained by Mach-Zehnder interferometry and particle image velocimetry. Particular attention is also paid to higher current densities above the limiting current, obtained from potentiodynamic measurements, at which a chaotic advection takes place. The results are compared by scaling analysis.     

Pulse magnetoelectrolysis

We present a novel technique consisting in the combination of pulse plating and magnetoelectrolysis. This technique is applied to copper electrolysis between two vertical copper-electrodes. The modulation of the current inside an inhomogeneous magnetic field generates a modulated Lorentz force driving an oscillating convection studied using particle image velocimetry. The resulting changes in the concentration boundary layers are analysed by means of a Mach-Zehnder interferometer.     

Structured electrodeposition in magnetic gradient fields

Electrodeposition in superimposed magnetic gradient fields is a new and promising method of structuring metal deposits while avoiding masking techniques. The magnetic properties of the ions involved, their concentrations, the electrochemical deposition parameters, and the amplitude of the applied magnetic gradient field determine the structure generated. This structure can be thicker in regions of high magnetic field gradients. It can also be free-standing or inversely structured. The complex mechanism of structured electrodeposition of metallic layers in superimposed magnetic gradient fields was studied by different experimental methods, by analytical methods and by numerical simulation and will be discussed comprehensively.     

Preparation and thermal properties of palmitic acid/expanded graphite/carbon fiber composite phase change materials for thermal energy storage

Using palmitic acid (PA), expanded graphite (EG), and carbon fiber (CF) as raw materials, PA/EG/CF composite phase change materials (CPCMs) with diverse CF contents were invented by melt blending approach. The effects of different ratios on thermal properties were studied by experimental characterization and testing. Scanning electron microscopy images displayed that PA was adsorbed in the pores of the EG surface, while CF was disorderly but uniformly embedded in the interior and surface of pores. The chemical stability and thermal decomposition stability of CPCM at low temperature were proved by Fourier transform infrared spectrometer and thermogravimetric analyzer results, respectively. According to the law of heat storage/release time and latent heat variation, the optimal ratio scheme was determined, and its heat storage/release time was 65% and 59% lower than pure PA, respectively. The form-stable materials were prepared by compression forming method, and thermal cycling experiment results demonstrated that the higher the content of CF, the stronger the inhibition of mass loss. Based on the experimental results, the PA/EG/CF CPCM has the advantages of stable phase transition, strong stability, and fast heat storage and release rate, so it has a marvelous application prospect in the field of low-temperature heat storage engineering.

     

Numerical solutions for impulsively started and decelerated viscous flow past a circular cylinder

A finite difference study of the unsteady two-dimensional flow past a circular cylinder has been conducted using vorticity and streamfunction as the dependent variables. The two cases considered were impulsively started and decelerated flows. The impulsively started problem was considered to validate the method and has yielded results which agree quite closely with existing results from both calculations and experiments. The decelerated flow analysis produced results which can be explained in terms of induced velocity effects from existing wake vortices for both suddenly stopped and uniformly decelerated flows.