Modeling of rotational molding process: Multi‐layer slip‐flow model,phase‐change,and warpage

A new multilayer slip‐flow model has been developed to simplify and to overcome current numerical difficulties of two‐dimensional model in predicting the internal air temperature inside a mold during a rotational molding process. The proposed methodology considers a macroscopic “layer‐by‐layer” deposition of a heating polymer bed onto the inner mold surface. A semi‐implicit approach is introduced and applied to compute the complex thermal interactions between the internal air and its surroundings. In the model, the lumped‐parameter system and the coincident node technique are incorporated with the Galerkin finite element model to address the internal air and the deposition of molten polymer beds, respectively. The simple phase‐change algorithm has been proposed to improve the computational cost, numerical nonlinearity, and predicted results. The thermal aspects of the inherent warpage are explored to study its correlation to the weak apparent crystallization‐induced plateau in the temperature profile of the internal air, as in practice. The overall predicted results are in favor with the available experimental data for rotomolded parts of cross‐sectional thicknesses up to 12 mm. POLYM. ENG. SCI. 46:960–969, 2006. © 2006 Society of Plastics Engineers     

Preparation and characterization of syndiotactic polystyrene/ethylene‐propylene copolymer blends

The reactive compatibilization of syndiotactic polystyrene (sPS)/oxazoline‐styrene copolymer (RPS)/maleic anhydride grafted ethylene‐propylene copolymer (EPR‐MA) blends is investigated in this study. First, the miscibility of sPS/RPS blends is examined by thermal analysis. The cold crystallization peak (T_cc) moved toward higher temperature with increased PRS, and, concerning enthalpy relaxation behaviors, only a single enthalpy relation peak was found in all aged samples. These results indicate that the sPS/RPS blend is miscible along the various compositions and RPS can be used in the reactive compatibilization of sPS/RPS/EPR‐MA blends. The reactive compatibilized sPS/RPS/EPR‐MA blends showed finer morphology than sPS/EPR‐MA physical blends and higher storage modulus (G') and complex viscosity (η*) when RPS contents were increased. Moreover, the impact strength of sPS/RPS/EPR‐MA increased significantly compared to sPS/EPR‐MA blend, and SEM micrographs after impact testing show that the sPS/RPS/EPR‐MA blend has better adhesion between the sPS matrix and the dispersed EPR‐MA phase. © 2002 Wiley Periodicals, Inc. J Appl Polym Sci 85: 2084–2091, 2002     

Application of a fibre-reactive chitosan derivative to cotton fabric as a zero-salt dyeing auxiliary

Cotton fabric has been treated with a fibre-reactive chitosan derivative containing quaternary ammonium groups, O -acrylamidomethyl- N -[(2-hydroxy-3-trimethylammonium)propyl]chitosan chloride (NMA-HTCC). Cotton treated with NMA-HTCC has been dyed with direct and reactive dyes without the addition of salt. The colour yield was higher than that on untreated cotton, despite the addition of a large amount salt in the latter case. After dyeing, cotton treated with NMA-HTCC gave better wash fastness than the untreated cotton. The light fastness was however inferior to that on untreated cotton. The antimicrobial activity of cotton treated with NMA-HTCC against Staphylococcus aureus was considerably lower after dyeing, probably due to the antimicrobial effect of the cationic group on NMA-HTCC being blocked by its combination with the anionic dye.     

The binding mode of an E-64 analog to the active site of cathepsin B

Two binding modes of the isobutyl-NH-Eps-Leu-Pro inhibitor tocathepsin B have been proposed. Molecular docking using an empiricalforce field was carried out to distinguish between the two modes.The search began with manual docking, followed by random perturbationsof the docking conformation and cycles of Monte Carlo minimization.Finally, molecular dynamics was carried out for the most favorabledocking conformations. The present calculations predict thatthe isobutyl-NH-Eps-Leu-Pro inhibitor preferentially binds tothe S' rather than the S subsites of cathepsin B. The S' bindingmode prediction is supported by the X-ray crystal structureof cathepsin B bound to a closely related ethyl-O-Eps-Ile-Proinhibitor, which was found to bind in the S' subsite with theC-terminal epoxy ring carbon making a covalent bond to the sulfuratom of Cys29. This agreement, in turn, validates our dockingstrategy. Furthermore, the calculations provide evidence thatthe dominant contribution to the total stabilization energyof the enzyme–inhibitor complex stems from the strongelectrostatic interaction between the negatively charged C-terminalcarboxylate group of the ligand and the positively charged imidazoliumrings of His110 and His111. The latter are stabilized and heldin an optimal orientation for interactions with the C-terminalend of the ligand through a salt bridge between the side chainsof His110 and Asp22. By comparison with the crystal structure,some insight into the specificity of the epoxyldipeptide familytowards cathepsin B inhibition has been extracted. Both thecharacteristics of the enzyme (e.g. subsite size and hydrophobicity)as well as the nature of the inhibitor influence the selectivityof an inhibitor towards an enzyme.     

Experimental Simulation of the Reactor Section of Fluid Cokers: Comparison of FCC and Fluid Coke Particles

The hydrodynamics of fluid cokers were studied in a pressurized fully cylindrical cold model of diameter 483 mm, geometrically and dynamically scaled down by a factor of ～20 from commercial units. Differential pressure fluctuations, voidage distributions, solids momentum flux distributions and steady state gas mixing behaviour in the reactor section are compared for the same operating conditions with two kinds of particles, FCC and fluid coke. The voidage distributions and core‐annular flow structures in the reactor section were similar enough that either FCC or fluid coke particles can be used for cold modelling of fluid cokers.     

Preparation of pH‐sensitive poly(vinyl alcohol‐g‐methacrylic acid) and poly(vinyl alcohol‐g‐acrylic acid) hydrogels by gamma ray irradiation and their insulin release behavior

A series of pH‐responsive hydrogels were studied as potential drug carriers for the protection of insulin from the acidic environment of the stomach before releasing in the small intestine. Hydrogels based on poly(vinyl alcohol) networks grafted with acrylic acid or methacrylic acid were prepared by a two‐step process. Poly(vinyl alcohol) hydrogels were prepared by gamma ray irradiation (50 kGy) and then followed by grafting either acrylic acid or methacrylic acid onto these poly(vinyl alcohol) hydrogels with subsequent irradiation (5–20 kGy). These graft hydrogels showed pH‐sensitive swelling behavior and were used as carriers for the controlled release of insulin. The in vitro release of insulin was observed for the insulin‐loaded hydrogels in a simulated intestinal fluid (pH 6.8) but not in a simulated gastric fluid (pH 1.2). The release behavior of insulin in vivo in a rat model confirmed the effectiveness of the oral delivery of insulin to control the level of glucose. © 2003 Wiley Periodicals, Inc. J Appl Polym Sci 91: 636–643, 2004     

Non-Isothermal crystallization of isotactic polypropylene in dotriacontane. II: Effects of dilution,cooling rate,and nucleating agent addition on growth rate

Non-isothermal crystallization growth rates of nucleated and non-nucleated isotactic polypropylene (iPP) in dotriacontane were determined experimentally by thermal optical microscopy. Adipic acid was used as the nucleating agent. The non-isothermal growth rates of the nucleated and non-nucleated systems were compared with experimentally determined isothermal growth rates. The Lauritzen and Hoffman growth rate equation, originally developed for isothermal crystallization, was modified to describe the non-isothermal growth. The modified Lauritzen-Hoffman equation was used to predict isothermal growth rates from non-isothermal crystallization for the nucleated and non-nucleated polymer-diluent mixtures. This study is the first to deal with polymer-diluent-nucleating agent systems vital to membrane production.     

Wetting properties of polystyrene ionomers treated with plasma source ion implantation

The wetting properties of polystyrene‐based ionomers treated with plasma source ion implantation (PSII) were investigated by the measurement of water contact angles. When sulfonated ionomers were aged for a few days, the hydrophobic recovery for the ionomers became much slower than that for the nonionic polymers. However, when the samples were aged over 20 days, the water contact angle of the ionomers converged with that of the nonionic polymer. Thus, it was concluded that the ionic interaction between the ionic groups and the presence of ionic groups together resulted in the slow hydrophobic recovery and that the aging effect was significant for the ionomers. For the methacrylate ionomer of low ion content, on the other hand, it was found that the PSII treatment produced only a small change in hydrophobic recovery behavior. Thus, it was suggested that the low ionic content coupled with the small size of the ionic unit might cause changes only of a very insignificant degree in hydrophobic recovery behavior. © 2002 Wiley Periodicals, Inc. J Appl Polym Sci 83: 2500–2504, 2002     

Circulating fluidized bed combustion of a high-sulphur eastern canadian coal

Combustion tests were carried out with Minto coal in combination with three different limestones in the University of British Columbia (UBC) pilot scale (152 mm square x 7.3 m tall) circulating fluidized bed combustion (CFBC) unit. Operating conditions were chosen to be typical of those employed in large-scale CFBC power boilers. Recycling of fine particles captured by the secondary cyclone was found to be of considerable importance in increasing sulphur capture, enhancing combustion efficiency and reducing the amount of calcium sulphide in the solids residues. NO_x emissions increased as the Ca:S ratio increased. Local gas concentrations inside the reactor were strongly influenced by the core-annulus solids distribution patterns which characterize circulating fluidized beds.     

Synthesis and properties of soluble polypyrrole doped with dodecylbenzenesulfonate and combined with polymeric additive poly(ethylene glycol)

Soluble polypyrrole (PPy) samples advanced in electrical conductivity σ were chemically synthesized with dodecylbenzenesulfonate (DBS) sodium salt as a dopant, with poly(ethylene glycol) (PEG) as an additive, and with ammonium persulfate as an oxidant. The PPy–DBS–PEG samples were soluble in organic solvents (N‐methylpyrrolinone and m‐cresol). The greater the molar percentage ratio was of DBS, the greater the solubility was of synthesized PPy composites (PPy–DBS–PEG). The maximum electrical conductivity at room temperature for PPy–DBS–PEG was 1.02 S/cm, which was in fact the true conductivity of 100/10 (mol %) PPy/DBS. The chemical composition and doping level of PPy–DBS–PEG were determined by elemental analysis. The results of Fourier transform infrared spectroscopy were used for the structural characterization of PPy–DBS–PEG. The scanning electron microscopy results showed that the electrical conductivity was related to the morphology of PPy–DBS–PEG. According to thermogravimetric analysis, PPy–DBS–PEG was more thermostable than PPy–DBS. Electron spin resonance measurements showed that the polaron and bipolaron acted as charge carriers of PPy–DBS–PEG. According to the temperature dependence of the electrical conductivity, PPy–DBS–PEG was a semiconductor and followed the three‐dimensional variable‐range hopping model. The improved electrical conductivity apparently resulted from the reduction of the crosslinking and structural defects of the PPy chains. © 2005 Wiley Periodicals, Inc. J Appl Polym Sci 97: 1170–1175, 2005