Dinitrogen extrusion from diazidophenylborane: Computational analysis of PhBNx (x = 6, 4, 2) isomers

The energies and structures of possible intermediates in the dinitrogen extrusion from diazidophenylborane 4a to give phenylborylene 11a were determined using density functional (B3LYP), multiconfigurational (CASSCF and MRMP2), and coupled cluster (CCSD(T)) computations in conjunction with basis sets of up to cc-pVTZ quality. Formation of 11a and nitrogen from 4a is an exothermic process (−21 kcal mol⁻¹). The triplet electronic ground state of azidophenylborylnitrene 5a (PhBN₄) is only 26 kcal mol⁻¹ higher in energy than 4a and the phenyl shift in 5a to yield N-azidophenyliminoborane 7a is highly exothermic.     

由结晶动力学评价含结晶聚合物共混物相容性的研究进展

介绍了用结晶动力学分析的方法评价含结晶聚合物共混物的混合状态的基本理论和解析原理,综述了最新研究进展.     

Spectroscopic studies of hydroxyapatite in PVP/PVA polymeric matrix as biomaterial

This system is focusing on characterization and spectroscopic studies of PVA and PVP blend and the blend filled with various mass fractions (2.5, 5 and 10%) of HAp because it has great potential for applications in the medical purposes. The films have been prepared by solution casting technique. The characteristic properties of the films were examined by FT-IR, X-ray, SEM, TGA and DSC techniques from room temperature to 500 °C. XRD scans reveal the semicrystalline nature of the prepared films and demonstrated that complexation between the blend and the HAp were occur. SEM and thermal studies confirmed these results. Three main weight loss regions were observed in TGA thermograms that reveal reduction in the thermal stability of the prepared samples as HAp content increases. Three main transition peaks were observed in DSC with a single T_g which indicates a good miscibility of the films. The ratio Ca:P is 1.65:1 which confirm the formation of hydroxyapatite. So, the present work can be used in various bio-applications.     

Influence of size reduction of crosslinked rubber particles on phase interface in dynamically vulcanized poly (vinylidene fluoride)/silicone rubber blends

In this paper, the influence of rubber particle size on the phase interface in dynamically vulcanized poly(vinylidene fluoride)/silicone rubber (PVDF/SR) blends without any modifier is discussed through the studies of specific surface of crosslinked SR particles, crystallization behavior and crystal morphology of the PVDF phase, interfacial crystallization, melt rheological behavior and mechanical properties of blends. A series of decreased average particle size was successfully obtained by control of rotor rate. It was found that properly high rotor rate helped to achieve a reduced particle size and a narrowing size distribution. The reduced SR particle size enlarged the PVDF/SR interface which has a positive effect on the interfacial crystallization and the melt rheological behavior. At high SR content, the negative effect of the poor interface interactions played the dominate role on determining the mechanical properties. However, the blend exhibited a unique stiffness-toughness balance at the PVDF/SR = 90/10. We hope that the present study could help to lay a scientific foundation for further design of a useful PVDF/SR blend with promoted properties to partly replace the high-cost synthetic fluorosilicone materials.     

PVT and oscillatory tests to analyze pressure effects on polypropylene/Rodrun LC3000 blends: Determination of the pressure dependency of the viscosity

A combined analysis of Pressure-Volume-Temperature (PVT), Dynamic Mechanical Thermal Analysis (DMTA) and oscillatory flow measurements for blends of a polypropylene (PP) with a commercial liquid crystalline polymer (Rodrun LC3000) is presented. This analysis allows the determination of the pressure-viscosity coefficient b = ∂lnη₀/∂P. This coefficient depends on the Rodrun LC3000 content, increasing with it and is of the same order of magnitude as values reported for several commercial polymers showing a similar dependence of the viscosity on pressure. The analysis of the pressure dependence of Tg (related to b) leads to the conclusion that the number of segments involved in the glass transition of PP increases with the Rodrun LC3000 content, thus demonstrating that the polymers are not totally immiscible. As far as the authors know, this is the first time that the dependence of the viscosity on the pressure has been reported for thermoplastic/liquid crystalline polymer blends.     

Extruder‐made TPO nanocomposites. I. Effect of maleated polypropylene and organoclay ratio on the morphology and mechanical properties

PP/PP‐g‐MA/MMT/EOR blend nanocomposites were prepared in a twin‐screw extruder at fixed 30 wt % elastomer and 0 to 7 wt % MMT content. Elastomer particle size and shape in the presence of MMT were evaluated at various PP‐g‐MA/organoclay masterbatch ratios of 0, 0.5, 1.0, and 1.5. The organoclay dispersion facilitated by maleated polypropylene serves to reduce the size of the elastomer dispersed phase particles and facilitates toughening of these blend nanocomposites. The rheological data analysis using modified Carreau‐Yasuda model showed maximum yield stress in extruder‐made nanocomposites compared with nanocomposites of reactor‐made TPO. Increasing either MMT content or the PP‐g‐MA/organoclay ratio can drive the elastomer particle size below the critical particle size below which toughness is dramatically increased. The ductile‐brittle transition shift toward lower MMT content as the PP‐g‐MA/organoclay ratio is increased. The D‐B transition temperature also decreased with increased MMT content and masterbatch ratio. Elastomer particle sizes below ～1.0 μm did not lead to further decrease in the D‐B transition temperature. The tensile modulus, yield strength, and elongation at yield improved with increasing MMT content and masterbatch ratio while elongation at break was reduced. The modified Mori‐Tanaka model showed better fit to experimental modulus when the effect of MMT and elastomer are considered individually. Overall, extruder‐made nanocomposites showed balanced properties of PP/PP‐g‐MA/MMT/EOR blend nanocomposites compared with nanocomposites of reactor‐made TPO. © 2012 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2012     

Additive‐like amounts of HDPE prevent creep of molten LDPE: Phase‐behavior and thermo‐mechanical properties of a melt‐miscible blend

Low‐density polyethylene (LDPE) is the preferred type of polyolefin for many medical and electrical applications because of its superior purity and cleanliness. However, the inferior thermo‐mechanical properties as compared to, for example, high‐density polyethylene (HDPE), which arise because of the lower melting temperature of LDPE, constitute a significant drawback. Here, we demonstrate that the addition of minute amounts of HDPE to a LDPE resin considerably improves the mechanical integrity above the melting temperature of LDPE. A combination of dynamic mechanical analysis and creep experiments reveals that the addition of as little as 1 to 2 wt% HDPE leads to complete form stability above the melting temperature of LDPE. The investigated LDPE/HDPE blend is found to be miscible in the melt, which facilitates the formation of a solid‐state microstructure that features a fine distribution of HDPE‐rich lamellae. The absence of creep above the melting temperature of LDPE is rationalized with the presence of tie chains and trapped entanglements that connect the few remaining crystallites. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2017 , 55, 146–156     

Determination of Minimum Enzymatic Decolorization Time of Reactive Dye Solution by Spectroscopic & Mathematical Approach

Synthetic dyes are very important for textile dyeing,paper printing,color photography and petroleum products.Traditional methods of dye removal include biodegradation,precipitation,adsorption,chemical degradation,photo degradation,and chemical coagulation.Dye decolorization with enzymatic reaction is an important issue for several research field(chemistry,environment)In this study,minimum decolorization time of Remazol Brilliant Blue R dye with Horseradish peroxidase enzyme was calculated using with mathematical equation depending on experimental data.Dye decolorization was determined by monitoring the absorbance decrease at the specific maximum wavelength for dye.All experiments were carried out with different initial dye concentrations of Remazol Brilliant Blue R at 25 ℃ constant temperature for 30 minutes.The development of the least squares estimators for a nonlinear model brings about complications not encountered in the case of the linear model.Decolorization times for completely removal of dye were calculated according to equation.It was shown that mathematical equation was conformed exponential curve for dye degradation.     

Solid-phase extraction of Cu2+ and Pb2+ from waters using new thermally treated chitosan/polyacrylamide thin films; adsorption kinetics and thermodynamics

New biologically safe thin adsorptive films were synthesised using chitosan/polyacrylamide polymer blend (Ch/PA) via thermal crosslinking technique for the separation of Cu²⁺ and Pb²⁺ from aqueous solution and natural water samples. The prepared films were characterised using Fourier transform infrared spectroscopy (FTIR), scanning electron microscope (SEM) and Thermogravimetric analysis (TGA) techniques. Thermo-gravimetric analysis revealed an enhancement in the thermal stability of the prepared thin films with increasing polyacrylamide content. Kinetic and thermodynamic studies were evaluated by batch-type experiments. The obtained results indicated that the adsorption isotherms were well described by Freundlich model, and Ch/PA have adsorption capacities of 177.9 and 126.58 mg.g^?1 to Cu²⁺ and Pb²⁺, respectively. Under optimum conditions, calculated detection limits were as low as 0.018 and 0.034 μg.L^?1 for Cu²⁺ and Pb²⁺, respectively, and relative standard deviations of less than 4% for five separate experiments. Moreover, the traditional Lagergren adsorption kinetic model provided the best fitting for the kinetic data. Furthermore, the reusability studies revealed a decrease in the adsorption capacity by about 8% after three adsorption–desorption cycles. The prepared thin films were successfully applied for the separation of Cu²⁺ and Pb²⁺ from natural water samples.