Preparation and properties of polyimide/silica hybrid composites based on polymer‐modified colloidal silica

A new type of polyimide/silica (PI/SiO₂) hybrid composite films was prepared by blending polymer‐modified colloidal silica with the semiflexible polyimide. Polyimide was solution‐imidized at higher temperature than the glass transition temperature (T_g) using 3,3′,4,4′‐biphenyltetracarboxylic dianhydride (BPDA) and 4,4′‐diaminodiphenyl ether (ODA). The morphological observation on the prepared hybrid films by scanning electron microscopy (SEM) pointed to the existence of miscible organic–inorganic phase, which resulted in improved mechanical properties compared with pure PI. The incorporation of the silica structures in the PI matrix also increased both T_g and thermal stability of the resulting films. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 100: 2053–2061, 2006     

Effect of water pretreatment on CO<Subscript>2</Subscript> capture using a potassium-based solid sorbent in a bubbling fluidized bed reactor

A bubbling fluidized bed reactor was used to study CO₂ capture from flue gas by using a potassium-based solid sorbent, sorbKX35 which was manufactured by the Korea Electric Power Research Institute. A dry sorbent, sorbKX35, consists of K₂CO₃ for absorption and supporters for mechanical strength. To increase initial CO₂ removal, some amount of H₂O was absorbed in the sorbent before injecting simulated flue gas. It was possible to achieve 100% CO₂ removal for more than 10 minutes at 60°C and a residence time of 2 s with H₂O pretreatment. When H₂O pretreatment time was long enough to convert K₂CO₃ of sorbKX35 into K₂CO₃ · 1.5H₂O, CO₂ removal was excellent. The results obtained in this study can be used as basic data for designing and operating a large scale CO₂ capture process with two fluidized bed reactors. This work was presented at the 6 ^th Korea-China Workshop on Clean Energy Technology held at Busan, Korea, July 4–7, 2006.     

Modeling of solid—liquid adsorption: Effects of adsorbent loads on model parameters

The adsorption of cobalt phthalocyanine dye onto activated carbon in a continuous stirred tank adsorber was studied. The variables investigated were: adsorbent mass, adsorbent particle size and fluid flowrate. Several models based on film, pore and surface diffusion were constructed and fitted to the experimental data. Experimental results showed: (i) the increasing importance of the film mass transfer resistance for increasing adsorbent loads; (ii) the increasing importance of the surface diffusion mechanism for increasing adsorbent loads; and (iii) the better discrimination among different models for higher adsorbent loads and lower flowrate.     

Cold Crystallization of PLLA Studied by Simultaneous SAXS and WAXS

Summary: The cold crystallization process of initially amorphous poly(L ‐lactic acid), PLLA, with two different molecular weights, during a heating at 2 °C/min, was investigated by DSC and time‐resolved simultaneous SAXS and WAXS, using synchrotron radiation. Equatorial scans of the isotropic 2D‐SAXS patterns showed that the average Bragg long period (L_B) of PLLA samples was approximately constant with the development of cold crystallization up to a temperature that corresponded to a melt/re‐crystallization process that took place before the nominal melting peak seen by DSC. L_B values were found to be higher for the high molecular weight material. This was in accordance with the higher melting temperature observed in the high molecular weight PLLA that implied the existence of thicker lamellae. WAXS results showed that the molecular weight did not apparently affect the crystal form and the final degree of crystallinity of PLLA. The Avrami parameters from WAXS and DSC were consistent, showing that the non‐isothermal cold crystallization of the two PLLA samples corresponded mainly to a three‐dimensional growth, although an imperfect crystallization process was involved at early times. The crystallization rate of PLLA, observed both by WAXS and DSC, decreased with increasing molecular weight.

SAXS profiles of PLLA2 as a function of temperature. The inset shows the 2D‐SAXS pattern obtained at 180 °C.     

Water flux,DSC, and cytotoxicity characterization of membranes of cellulose acetate produced from sugar cane bagasse,using PEG 600

Summary In this article, cellulose acetate produced through the homogeneous acetylation of sugar cane bagasse cellulose was used to produce membranes, using poly(ethyleneglycol) 600 (PEG 600) as an admixture. The membranes were characterized using water flux measurements (Payne’s cup), differential scanning calorimetry (DSC) and neutral red uptake (cytotoxicity). The results showed that PEG 600 acts as a crystallinity inductor and/or pore former in the cellulose acetate matrix. The induction of crystallinity is important for this system since it had not been reported on the literature yet. The results also demonstrated that the studied membranes present a nontoxic behavior.     

Physicochemical Methods for Prediction of Functional Information for Proteins

Structural genomics initiatives are determining thousands of new protein structures. Many of these structures are of unknown function, and computational methods for the rapid determination of functional information from protein structure are needed. We present details of how functional information is obtained from the structure using THEMATICS (Theoretical Microscopic Titration Curves). THEMATICS is a computational procedure that gives information about chemical reactivity, based on solution of the Poisson-Boltzmann equations for the electrical potential function. We show how anomalies in predicted titration curves are established. We show further that when residues with anomalous predicted titration curves form a cluster in physical space, these residues tend to be very highly conserved across species and such clusters are reliable predictors of the active site. Results are given for ten enzymes; detailed results are shown for the enzymes triosephosphate isomerase (from chicken), 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase (from E. coli), and papain (from papaya).     

HDPE/LLDPE reactor blends with bimodal microstructures—part I: mechanical properties

Reactor blends of polyethylene/poly(ethylene-co-1-octene) resins with bimodal molecular weight and bimodal short chain branching distributions were synthesized in a two-step polymerization process. The compositions of these blends range from low molecular weight (LMW) homopolymer to high molecular weight (HMW) copolymer and, vice versa, HMW homopolymer to LMW copolymer. The physical properties of the blends were found to be consistent with the nature of the individual components. For the tensile properties, the stiffness decreases with increasing the fraction of the copolymer, regardless of the molecular weight of the homopolymer fraction. For these blends with bimodal microstructures, it was confirmed that the degree of crystallinity governs the stiffness of the polymer. However, the energy dampening properties of the polymers benefit from the presence of the copolymer. A balance of stiffness and toughness can be obtained by altering the composition of the blends. For some blends, the presence of HMW homopolymer can dominate the tensile properties, showing little variation in the stiffness with increased addition of copolymer. It was also demonstrated that the testing conditions and thermal treatment of the polymer greatly influence the resulting elastic and energy dampening properties. Depending on the desired application, annealing these polymers (especially very low density copolymers) not only increases the crystallinity and stiffness, but also changes the frequency response of the dynamic mechanical properties.     

PORE-MOUTH POISONING OF NON-UNIFORM CATALYSTS

Impurity poisoning of a catalyst particle having a non-uniform activity distribution is analyzed. Equations that relate the position of the poison-front with time for different activity profiles are derived. It is shown that the effect of the activity distribution on the poisoning rate is apparent in the case of intraparticle-diffusion control. The performance of a non-uniform bifunctional catalyst in such conditions is also studied.     

Activities of MFI-Supported Rhenium Catalysts for the Aromatization of Methane: Effect of Cationic Form of the Inorganic Carrier

MFI type inorganic carrier was used in two different cationic forms, hydrogen and calcium respectively. MFI-supported molybdenum and rhenium catalysts were prepared. The activities of the catalysts were compared for the aromatization reaction of methane. Higher activity values were attained with the catalysts supported on HZSM-5. Aromatics were also observed with the catalysts supported on CaZSM-5, despite their deficiency in acid sites. Highly dispersed rhenium is expected to be formed with the use of the inorganic carrier in calcium form. On the other hand, lower reaction rates were observed with rhenium supported on CaZSM-5, in spite of the improved dispersion of the active rhenium species on this catalyst. This was interpreted in terms of the critical role of the acid sites in the conversion of methane to aromatics, compared to the improved dispersion of the active metal.     

Interactive Simulation of Rigid Body Dynamics in Computer Graphics

Interactive rigid body simulation is an important part of many modern computer tools, which no authoring tool nor game engine can do without. Such high‐performance computer tools open up new possibilities for changing how designers, engineers, modelers and animators work with their design problems. This paper is a self contained state‐of‐the‐art report on the physics, the models, the numerical methods and the algorithms used in interactive rigid body simulation all of which have evolved and matured over the past 20 years. Furthermore, the paper communicates the mathematical and theoretical details in a pedagogical manner. This paper is not only a stake in the sand on what has been done, it also seeks to give the reader deeper insights to help guide their future research.