Polybutadiene/polyhedral oligomeric silsesquioxane nanohybrid: investigation of various reactants in polyesterification reaction

Nano‐sized polyhedral oligomeric silsesquioxane (POSS) diol or ethylene glycol (EG) as diol monomer was incorporated into hydroxyl‐terminated polybutadiene (HTPBD) chain in the presence of fumaryl or thionyl chloride as extenders. Using these polyesterification reactions, two fumarate‐based polyesters and two polyester sulfites were synthesized. Each couple of polyesters and polyester sulfites includes a linear (diol:EG) and a nanohybrid macromer (diol:POSS). Full structural characterization was performed using Fourier transform infrared, ¹H NMR and ¹³C NMR spectroscopies. Gel permeation chromatography was undertaken to study polyesterification mechanisms by deconvolution of the obtained traces. Finally, differential scanning calorimetry, thermogravimetric analysis and cell culture were performed to evaluate the structure–property relationship for the synthesized macromers in comparison with unreacted HTPBD. © 2016 Society of Chemical Industry     

Application of LS-SVM strategy to estimate H2S loading capacity in different ionic liquids and alkanolamines

Favorable properties of aqueous solutions are improved with the addition of different materials for separation of hydrogen sulfide (H₂S). Also, equilibrium data and available equations for solubility estimation of this gas are only valid for specific solutions and limited ranges of temperature and pressure. In this regard, a machine learning model based on Support vector machine (SVM) algorithm is proposed and developed with mixtures containing different amines and ionic liquids to predict H₂S solubility over wide ranges of temperature (298–434.5 K), pressure (13–9319 kPa), overall mass concentration (3.82–100%) and mixture's apparent molecular weight (18.39–556.17 g/mol). The accuracy of the performance of this network was evaluated by regression analysis on calculated and experimental data, which had not been used in network training.     

Sonoelectrochemical synthesis of a nanoscale complex of lead(II) and 2-methyl-8-hydroxyquinoline: spectroscopic, photoluminescence, thermal analysis studies and its application in an OLED

A new lead complex, [Pb(mq)₂], (mq = 2-methyl-8-hydroxyquinoline) was prepared via an electrochemical route from the oxidation of lead metal in the presence of 2-methyl-8-hydroxyquinoline in a fast and facile process. The complex was fully characterized by means of NMR and IR spectra and elemental analysis. The nanostructure of the prepared compound was obtained by sonoelectrochemical process and studied by scanning electron microscopy, atomic force microscopy, X-ray powder diffraction, IR spectroscopy and elemental analysis. Thermal stability of single crystalline and nanosize samples of the prepared compound was studied by thermal gravimetric and differential thermal analysis. The photoluminescence properties of the prepared compounds, as single crystals and as nanorods, have been investigated. The results showed a good correlation between the size and the shape of the complex particles and emission wavelength. The prepared complex was doped in PVK:PBD blend as guest and its application in the fabrication of OLED was studied. The ratio of lead complex was modified and was equal to 8 (w/w %) in PVK:PBD (100:40).     

Development of an experimentally validated semi-empirical fully-coupled performance model of a PEM electrolysis cell with a 3-D structured porous transport layer

A semi-empirical non-isothermal model incorporating coupled momentum, heat and mass transport phenomena for predicting the performance of a proton exchange membrane (PEM) water electrolysis cell operating without flow channels is presented. Model input parameters such as electro-kinetics properties and mean pore size of the porous transport layer (PTL) were determined by rotating disc electrode and capillary flow porometry, respectively. This is the first report of a semi-empirical fully coupled model which allows one to quantify and investigate the effect of the gas phase and bubble coverage on PEM cell performance up to very high current densities of about 5 A/cm². The mass transport effects are discussed in terms of the operating conditions, design parameters and the microstructure of the PTL. The results show that, the operating temperature and pressure, and the inlet water flowrate and thickness of the PTL are the critical parameters for mitigating mass transport limitation at high current densities. The model presented here can serve as a tool for further development and scale-up effort in the area of PEM water electrolysis, and provide insight during the design stage.     

The impact of gate misalignment on the analog performance of a dual-material double gate junctionless transistor

The analog performance of gate misaligned dual material double gate junctionless transistor is demonstrated for the first time. The cases considered are where misalignment occurs towards source side and towards drain side. The analog performance parameters analyzed are: transconductance, output conductance, intrinsic gain and cut-off frequency. These figures of merits (FOMs) are compared with a dual material double gate inversion mode transistor under same gate misalignment condition. The impacts of different length of control gate (L₁) for a given gate length (L) are also studied and the optimum lengths L₁ under misalignment condition to have better analog FOMs and high tolerance to misalignment are presented.     

Strand Current Distribution Modeling in Turbo-generators Using Finite-element Method Based on Proposed Dual Method

Abstract—The necessity of using a 3D model is one of the main problems for modeling Roebel bar transposition in turbo-generators by the finite-element method. This article proposes a 2D dual model for computing strand current distribution in the Roebel bar of turbo-generators. Considering the leakage and mutual inductances for each strand and the coupling inductances between them, the end winding region is modeled in this 2D dual model. In this article, the Roebel bar structure including 16 strands was considered, and these distributions are calculated for different transpositions using the finite-element method. In the finite-element method model, the circulating currents are calculated by subtracting a load current at each strand from the total of strand current. Also, for different transpositions, such as 90°, 180°, 360°, and 540°, the circulating currents are calculated using an analytical method. The obtained strand current distributions from the 2D dual model have good agreement with the obtained results from the analytical method for the 180° and 360° transposed coil models.     

Electrochemical Synthesis of Cu (II) Coordination Polymer Coatings Based on 2,2′-Thiodiacetic Acid and 1,2,4,5-Benzenetetracarboxylate

Electrochemical synthesis of coordination polymers of Cu(II), [Cu(TDA)]_n and [Cu₂(BTC)(H₂O)₆?6H₂O]_n in which H₂TDA is 2,2′-thiodiacetic acid and BTC stands for 1,2,4,5-benzenetetracarboxylate was carried out by the electrochemical oxidation of Cu anode in the presence of H₂TDA (a flexible ligand), and 1,2,4,5-benzentetracarboxylic acid (H₄BTC) (a rigid ligand) in aqueous solutions. The structure of coordination polymers were characterized by scanning electron microscopy, X-ray powder diffraction, elemental analysis, thermal gravimetric and differential thermal analyses. The crystal structure of the compounds consists of one-dimensional cubical crystal polymeric units of [Cu(TDA)]_n and [Cu₂(BTC)(H₂O)₆?6H₂O]_n. Furthermore, the coordination number of Cu (II) ions in synthesized coordination polymers to be found five. The main advantages of electrosynthesis are the minor synthesis time, the milder conditions and the facile synthesis of coordination polymer coatings.     

Electrogenerated base-promoted synthesis and antimicrobial activity of 2-imino-1,3-thiazolidin-4-one derivatives

Electrogenerated cyanomethylanions obtained by reduction of dry acetonitrile at a steel grid cathode were used to promote the addition of ethyl bromoacetate to thiourea derivatives. The reaction yields the corresponding 2-imino-1,3-thiazolidin-4-one. The reaction pathway was discussed based on the kinetic and thermodynamic data obtained by computational methods. In addition, the biological activity of these new compounds was also investigated.