Theoretical kinetic study of the reaction between dimethyl disulfide and OH radicals

The potential energy profile of the reaction between dimethyl disulfide and OH^? radicals is explored by utilizing ab initio and hybrid meta density functional theory methods. Having the energies and structural data of the stationary points, statistical rate theories, such as transition state theory and variable reaction coordinate-transition state theory, are employed to compute the overall rate constants, and discuss the mechanism and product channels. On the basis of the calculations, the overall rate coefficient is predicted to be 2.49?×?10^?10?cm³?molecule^?1?s^?1 at 298?K. It is found that in the most favorable pathway, the reaction proceeds via formation of the relatively unstable intermediate CH₃S^?(OH)SCH₃ decomposing rapidly to yield CH₃S^?+CH₃SOH.     

Design of disturbance observer based on adaptive-neural control for large-scale time-delay systems in the presence of actuator fault and unknown dead zone

This article presents an adaptive neural compensation scheme for a class of large-scale time delay nonlinear systems in the presence of unknown dead zone, external disturbances, and actuator faults. In this article, the quadratic Lyapunov–Krasovskii functionals are introduced to tackle the system delays. The unknown functions of the system are estimated by using radial basis function neural networks. Furthermore, a disturbance observer is developed to approximate the external disturbances. The proposed adaptive neural compensation control method is constructed by utilizing a backstepping technique. The boundedness of all the closed-loop signals is guaranteed via Lyapunov analysis and the tracking errors are proved to converge to a small neighborhood of the origin. Simulation results are provided to illustrate the effectiveness of the proposed control approach.     

Morphological evolution on the surface of hydrothermally synthesized hydroxyapatite microspheres in the presence of EDTMP

Well-ordered and surface engineered hierarchical hydroxyapatite microspheres (HAM) were prepared via a template free hydrothermal process. Ethylene diamine tetra (methylene phosphonic acid) (EDTMP) was used as chelating or regulating agent for the first time in this study. The results indicated the formation of sheet-like particles in the absence of EDTMP. On the other hand, microspheres with radially grown nanorods (HAMNR) or nanosheets (HAMNS) on the surface were obtained (with average diameter of 5?µm) in the presence of EDTMP. X-ray diffraction (XRD) and Fourier transform infrared (FTIR) spectroscopy were used to characterize the crystalline phases in the synthesized samples. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) showed that EDTMP concentration played an important part in regulating the morphology to form well organized microspheres with nanosheets or nanorods on the surface. Brunauer-Emmett-Teller (BET) revealed an increase in the specific surface area with the change in morphology from the HAMNS to HAMNR. Possible mechanisms are proposed to account for the formation of different morphologies based upon thermodynamic and kinetic theories.     

Al2O3 Colloidal Nanocrystals with Strong UV Emission

A facile sol–gel procedure has been developed for the synthesis of colloidal alumina nanocrystals. For the first time, optical characterization procedures were employed to study the quantum confinement effects in optical properties of the prepared Al₂O₃ sol. Accordingly, the hyperbolic band model was used to determine the optical band gap of colloidal alumina nanocrystals. X‐Ray diffraction pattern was used to study the crystallographic phase of the dried gel. Morphological characterization was performed using scanning electron microscopy (SEM). Inductively Coupled Plasma (ICP) emission spectroscopy was used to determination purity of the Al₂O₃ powder. High‐resolution TEM showed that the diameter of colloidal nanocrystals is about 10 nm. Photoluminescence spectroscopy demonstrated that quantum yields for colloidal nanocrystals are 68% with 300 nm excitation wavelength. The experimental observations confirm that highly stable alumina sol with strong UV emission was synthesized. The mentioned optical properties have not been reported before.     

Work of fracture of high impact polystyrene (HIPS) film under plane stress conditions

Essential work of fracture methodology was used to determine plane-stress ductile fracture toughness of high impact polystyrene film of thickness 0.26 mm. Results obtained indicated that specific essential work of fracture, w _e, is independent of loading rate, and for certain specimen sizes, independent of both gauge length and width of the specimen. On the other hand, w _e was found to be affected by the temperature, molecular anisotropy and the geometry of the test specimens. Reasonable estimate of w _e was obtained via crack opening displacement value.     

Evaporation and Evolution of Suspended Solution Droplets at Atmospheric and Reduced Pressures

Thermal history and solute precipitation behavior of suspended solution droplets of sodium chloride (NaCl), magnesium sulphate (MgSO₄), and zirconium hydroxychloride (ZrO(OH)Cl) evaporating at atmospheric and reduced pressures are studied. Experimental measurements on the variation of droplet diameter, solution concentration, and temperature during the evaporation period are presented and discussed. The results of solute precipitation behavior in solution droplets observed under an optical microscope are displayed and discussed. Results indicate that reducing the pressure (∼ 33 kPa) results in a change in the solution droplet evaporation rate, but the thermal histories of a particular solution droplet are similar at the atmospheric and reduced pressures. At atmospheric and reduced pressures used in this study, the d² law for solution droplets is valid at early stages of the evaporation and before the solute precipitation initiates. Drying of MgSO₄ and ZrO(OH)Cl solution droplets results in the formation of spherical particles, whereas drying of spherical NaCl solution droplets results in the formation of cubic particles.     

A novel open-loop high-speed CMOS sample-and-hold

A new open-loop high-speed CMOS sample-and-hold is presented. Based on new method for further reduction of voltage-dependent charge injection, a new CMOS sample-and-hold was designed. Simulation results confirm the effectiveness of this method. Over 10 dB improvement in signal-to-noise ratio, compared to the signal-to-noise ratio of conventional bottom plate sampling S/Hs was achieved with this method. A comparison between newly designed S/H and the bottom-plate sampling S/H is presented.     

Effect of Reactor Ambient Pressure on the Morphology of Spray Dried Magnesium Sulphate Powders

The effect of reducing the reactor air pressure on the morphology of spray dried magnesium sulphate powders is investigated, experimentally. A reactor, capable of drying and pyrolyzing solution sprays at low pressures, is designed and manufactured. A vibrating mesh nebulizer is employed to generate the spray. Four different pressures, starting from 60 Torr to the atmospheric pressure, and two different reactor air temperatures of 130°C and 420°C, are considered. In addition, two different concentrations of magnesium sulphate solutions are tested. The results are explained based on the effect of reactor air pressure on the droplet evaporation rate.     

Single and multi-specimenR-curve methods forJ IC determination of toughened nylons

For characterization of the fracture resistance of materials used in the upper shelf toughness regime,J-R curves are widely considered the most promising candidates. However, there still remain problems concerning both the generation and measurement ofJ-R curves as material characterizing parameters and their application in ductile fracture analyses for failure prediction in polymeric materials. This paper reports the results of investigations conducted on two rubbertoughened nylons at room temperature. Two different methods ofJ-R curve determination are covered, namely multi-specimen and single specimen test methods. The resultingJ-R curves have also been evaluated to obtain values of the initiation toughness,J _IC, following the extrapolation and interpolation schemes prescribed by ASTM E813-81 and ASTM E813-87 test procedures, respectively. The results show that the multiple specimen unloading method and the single specimen partial unloading compliance method can be used to generate comparable crack growth resistanceJ-R curves of the toughened nylons. The value ofJ _IC for the crystalline rubber-toughened nylon was approximately twice the value obtained for the amorphous rubber-toughened nylon. The former material also exhibited a greater resistance to ductile crack growth.