Molecular structure of 2-methylamino-5-[(5-methyl-2-benzoxazolinone-3-yl)methyl]-1,3,4-thiadiazole dihydrophosphate: a combined X-ray crystallographic and ab initio study

Crystal structure of the compound entitled 2-methylamino-5-[(5-methyl-2-benzoxazolinone-3-yl)methyl]-1,3,4-thiadiazole dihydrophosphate is determined using X-ray analysis and compared with the structure obtained from semiempirical and RHF methods at various levels of theory. RHF/6-31G(d) calculations offer the best conformity with X-ray results for bond lengths and bond angles. Moreover, at the result of the comparison of various combinations of basis sets and methods, it appears that there is not much gain in accuracy by using sophisticated methods.     

Structure and mechanical properties controlling of elastomer modified polypropylene by compounded β/α nucleating agents

Previous work showed that there was a synergistic effect of nucleating agent (NA) and elastomer in improving the fracture resistance of isotactic polypropylene (PP), relating to the formation of large amounts of β‐PP (β‐NA nucleated system) or the decrease of the spherulites diameters of α‐PP (α‐NA nucleated system). To find the direct relation between the synergistic efficiency of NA/elastomer and the microstructures of the materials, in this work, the ethylene‐propylene‐diene terpolymer (EPDM) modified PP blends with compounded NAs (β/α) were adopted and the changes of the microstructure and mechanical properties were investigated comparatively. The results showed that, with the adjustment of the mass fraction of compounded NAs, the microstructures of PP matrix including supermolecular structure and the relative fraction of β‐PP (K_β) change accordingly. Specifically, the K_β of β‐PP was successfully adjusted in the wide range of 0–78.9%. Consequently, the stiffness and the fracture resistance of the PP/EPDM blends were easily controlled in different degrees. It is believed that this work could provide a guide map for the design and preparation of certain polymer blends satisfying certain requirement. © 2011 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2011     

UV‐Irradiation Cured Organic‐inorganic Hybrid Nanocomposite Initiated by Ethoxysilane‐modified Multifunctional Polymeric Photoinitiator through Sol‐gel Process

The UV‐cured organic‐inorganic hybrid nanocomposite (nano‐Si‐m‐PI) was prepared through the photopolymerization of acrylic resin initiated by ethoxysilane‐modified multifunctional oligomeric photoinitiator (Si‐m‐PI). The esterification reaction of 2‐hydroxy‐4′‐(2‐hydroxyethoxy)‐2‐methylpropiophenone (Irgacure 2959) with thioglycolic acid, and the following addition reactions with dipentaerythritol hexaacrylate and then 3‐aminopropyltriethoxysilane were carried out for preparing the Si‐m‐PI. The Si‐m‐PI exhibits the similar UV absorption and molar extinction coefficient with Irgacure 2959. The photoinitiating activity study by photo‐DSC analysis showed that the Si‐m‐PI possesses high photopolymerization rate at the peak maximum (R_p^max) and final unsaturation conversion (P^f) in the cured hybrid films. From the scanning electron microscope (SEM) observation, the SiO₂ nanoparticles dispersed uniformly in the formed nano‐Si‐m‐PI, whereas the aggregation of nanoparticals occurred in nano‐Irg, which was prepared through the photopolymerization of acrylic resin initiated by Irgacure 2959. Moreover, compared with the UV‐cured pure polymer and nano‐Irg, the nano‐Si‐m‐PI showed remarkably enhanced thermal stability and mechanical properties.     

Prediction of polyurethane behaviour via time-temperature superposition: Meanings and limitations

Two main issues are essential nowadays for practitioners in the field of polymeric materials: how a polymer will behave under dynamic loading conditions and for how long a polymer is reliable. In this sense, the time-temperature superposition principle was applied to the main viscoelastic properties (E′, E″ and tan δ) of a series of polyurethane coatings (PU-DEG-TMP) tested for mechatronic devices. Polyurethanes are derived from an ester glycol (poly(ethylene adipate) glycol), an aromatic diisocyanate (4,4′-dibenzyldiisocyanate) and di/trifunctional chain extenders - diethylene glycol (DEG) and trimethylol propane (TMP). Despite polyurethane intrinsic rheologic complexity, the moduli/loss factor curves superimpose well over several decades of reduced frequency at the glass transition temperature (T_g), 0 °C and 15 °C, the last temperature being considered the midpoint of the practical testing range. Three criteria were for checking the applicability of the time-temperature superposition: the Cole-Cole plot, the similarity between the a_T calculated from both moduli (E′, E″) and the visual appearance of the final master curve. The presence of both hydrogen bonding and chemical joint points, along with some dangling chains put in a broader context the discussion of the microstructural features resulted from the application of the William-Landell-Ferry (WLF) equation.     

Morphology and physical properties of a novel Ramie‐PU blended nonwoven by electrospinning: The effect of cosolvent ratio

A novel macro/nano blended nonwoven with excellent physical properties was prepared by electrospinning polyurethane (PU) nanofibers onto the surface of ramie webs under different weight ratios of N,N‐dimethylacetamide (DMAc)/acetone cosolvents. The ratio of cosolvents has a significant influence on the morphology, tensile properties, resilience, and thermal properties of the resultant samples. Bead‐free and fine interconnected nanofibers were obtained with an increase of acetone content up to 60 wt%. The total physical properties of the blended nonwovens were optimal for a DMAc/acetone ratio of 40/60, in which the tensile load at break, extension at break and Young's modulus were 441, 54, and 256% higher than that of pure ramie web, respectively. The resilience of the blended nonwovens was ～20% higher than that of nonblended ramie web. The significant improvement of physical properties may be due to the good connection between PU nanofiber membranes and ramie webs and the molecular chain structure differences, interconnected structural differences, and high extensibility of PU nanofibers, according to the results of crystallization by differential scanning calorimetry (DSC) and morphological observation by scanning electronic microscopy (SEM). © 2009 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 48: 1–14, 2010     

变深度螺旋槽止推轴承的边界元法计算

本文以分析变深度螺旋槽止推轴承为例介绍了边界元法在润滑力学研究领域中的应用,以及相应的边界条件的处理方法,同时还讨论了轴承的尺寸参数对其性能参数的影响。     

Brightness Reversion of Mechanical Pulps. Part XVII: Diffuse Reflectance Study on Brightness Stabilization by Additives Under Various Atmospheres

Brightness reversion of softwood (SW) and hardwood (HW) bleached chemithermomechanical pulps (BCTMP) with a 300–400nm light source under argon, oxygen, and air were studied in the absence and presence of UV-screens using UV–Vis reflectance difference spectroscopy. The UV-Vis difference absorption spectra of control SW and HW BCTMP testsheets indicate that as the concentration of atmospheric oxygen is increased, the absorption at max 360nm increases and a blue shift occurs. In all of the cases studied, brightness reversion was observed to occur under an argon atmosphere. The addition of benzophenone and benzotriazole additives to BCTMP testsheets resulted in a significant decrease in formation of chromophores absorbed at 400nm and 360nm. The possible mechanisms contributing to these effects are discussed in terms of the photoformation of lignin chromophoric structures.     

Effects of Geomaterial-Originated Fillers on Microstructure and Mechanical/Physical Properties of α- and β-Chitosan-Based Films

Edible films and coatings with good mechanical/physical properties are highly required for carrying medical substances and food packaging. So, solvent-cast films of α- or β-chitosan filled with palygorskite, montmorillonite or geopolymer-containing material (GCM), were prepared, and the effects of their clay contents (up to 50 wt.%) on the mechanical/physical properties were assessed. The microstructure of the films was investigated using FT-IR spectroscopy, SEM and thermal analysis. The results showed that, except for the films composed of GCM and β-chitosan, the mechanical properties of the films with limited (up to 5 wt.%) to moderate (5–25 wt.%) amounts of fillers increased as a result of the attractive electrostatic forces formed between the fillers and chitosan functional groups (–NH₃⁺, CH₂OH and NHCOCH₃). However, due to the occurrence of coarse aggregates, the strength of filler-rich films declined. The addition of fillers led to an increase in porosity and water absorption of the films, but it had irregular effects on their wettability and water vapor transmission rate. These observations as well as the thermal stability of the films were discussed in relation to the characterization results.