Thermal degradation of rice husks on a pilot plant

This study is an attempt to establish the possibilities to obtain black rice husk ash (BRHA) and white rice husk ash (WRHA) via pyrolysis of wasted raw rice husks in a pilot plant fluidized-bed reactor at different conditions. The process course auto thermally, without outer fuel. The released heat may be used for steam obtaining or drying. The solid products obtained (BRHA or WRHA) are characterized using X-ray diffraction patterns, thermal analysis, and low temperature nitrogen adsorption. Using batch adsorption technique, the kinetics was studied and the adsorption capacities of crude oil and diesel fuel at different temperatures as well as some hydrocarbons at 298?K onto BRHA and WRHA are determined. It was established that BRHA have been higher adsorption capacity than WRHA. At a given temperature, BRHA sorbed more crude oil than diesel fuel. The results obtained showed that the material studied has high adsorption capacity and low cost and may successfully be used as an effective adsorbent to cleanup of bilge water and spills of oil and oil products in water basins. Because the saturated BRHA with crude oil, diesel fuel or different hydrocarbons are characterized with high calorific, they can be burnt in incinerators, industrial ovens or steam generators. By this way, we attain not only ecological but also economical effect.     

Simulation of chemical metabolism for fate and hazard assessment. IV. Computer-based derivation of metabolic simulators from documented metabolism maps

Computer simulation of xenobiotic metabolism and degradation is usually performed proceeding from a set of expert-developed rules modelling the actual enzyme-driven chemical reactions. With the accumulation of extensive metabolic pathway data, the analysis required to derive such chemical reaction patterns has become more objective, but also more convoluted and demanding. Herein we report on our computer-based approach for the analysis of metabolic maps, leading to the construction of reaction rules statistically suitable for simulation purposes. It is based on the set of so-called bare transformations which encompass all unique reaction patterns as obtained by a heuristically enhanced maximum common subgraph algorithm. The bare transformations guarantee that no existing metabolite is missed in simulation at the expense of an enormous amount of false positive predictions. They are rendered more selective by correlating the generated true and false positives to the locations of typical chemical functional groups in the potential reactants. The approach and its results are illustrated for a metabolic map collection of 15 cycloalkanes.     

Adiabatic triplet state tautomerization of p-hydroxyacetophenone in aqueous solution

The primary photophysical processes of p-hydroxyacetophenone (HA) and the ensuing proton transfer reactions in aqueous solution were investigated by picosecond pump-probe spectroscopy and nanosecond laser flash photolysis. Previous studies have led to mutually inconsistent conclusions. The combined data allow us to rationalize the excited-state proton transfer processes of HA in terms of a comprehensive, well-established reaction scheme. Following fast and quantitative ISC to the triplet state, (3)HA*, adiabatic proton transfer through solvent water simultaneously forms both the anion, (3)A(-)*, and the quinoid triplet enol tautomer, (3)Q*. The latter subsequently equilibrates with its anion (3)A(-)*. Ionization and tautomerization are likely to compete with the desired release reactions of p-hydroxyphenacyl photoremovable protecting groups.     

Structure of Polymer Brushes in Cylindrical Tubes: A Molecular Dynamics Simulation

Summary: Molecular dynamics simulations of a coarse‐grained bead‐spring model of flexible macromolecules tethered with one end to the surface of a cylindrical pore are presented. Chain length N and grafting density σ are varied over a wide range and the crossover from “mushroom” to “brush” behavior is studied for three pore diameters. The monomer density profile and the distribution of the free chain ends are computed and compared to the corresponding model of polymer brushes at flat substrates. It is found that there exists a regime of N and σ for large enough pore diameter where the brush height in the pore exceeds the brush height on the flat substrate, while for large enough N and σ (and small enough pore diameters) the opposite behavior occurs, i.e. the brush is compressed by confinement. These findings are used to discuss the corresponding theories on polymer brushes at concave substrates.

Snapshot picture of a brush grafted inside of a cylinder, for , , displaying different chains in distinct colors in order to be able to distinguish them. Top shows a side view of the cylinder, and the lower part a view of the cross‐section. Note that the particles forming the cylindrical wall are not displayed.     

Functional Polyion Complex Micelles for Potential Targeted Hydrophobic Drug Delivery

Polyion complex (PIC) micelles have gained an increasing interest, mainly as promising nano-vehicles for the delivery of various hydrophilic charged (macro)molecules such as DNA or drugs to the body. The aim of the present study is to construct novel functional PIC micelles bearing cell targeting ligands on the surface and to evaluate the possibility of a hydrophobic drug encapsulation. Initially, a pair of functional oppositely charged peptide-based hybrid diblock copolymers were synthesized and characterized. The copolymers spontaneously co-assembled in water into nanosized PIC micelles comprising a core of a polyelectrolyte complex between poly(L-aspartic acid) and poly(L-lysine) and a biocompatible mixed shell of disaccharide-modified poly(ethylene glycol) and poly(2-hydroxyethyl methacrylate). Depending on the molar ratio between the oppositely charged groups, PIC micelles varying in surface charge were obtained and loaded with the natural hydrophobic drug curcumin. PIC micelles’ drug loading efficiency, in vitro drug release profiles and antioxidant activity were evaluated. The preliminary results indicate that PIC micelles can be successfully used as carriers of hydrophobic drugs, thus expanding their potential application in nanomedicine.     

The study of electron energy distribution functions, Swarm parameters, and transition rates in N2+O2 plasma

Using the Boltzman equation electron energy distribution functions, swarm parameters (mean energy, characteristic energy, drift velocity and diffusion coefficient), and transition rates (one for vibrational and one for electronical excitation for each of the gases) for N₂+O₂ (80%+20%) mixture plasma have been calculated. The influence of the applied reduced electric field and the vibrational temperatures on these quantities is studied.     

Generalized Wagner’s diffusion model of surface modification of materials by plasma diffusion treatment

0 f^-1(t/t₀), where g(t) is the sub-layer thickness at time t, g₀ and t₀ are parameters that depend on the treated material and plasma characteristics, and f^-1 is the inverse function of f(x)=-(ln(1-x)+x), where x=g(t)/g₀, 0≤x≤1. Under negligible erosion effects, the model becomes of Wagner’s diffusion model type and the expression for g(t) reduces to the parabolic law. The model can be simplified by considering the compound layer as a united one. The general and simplified models can be used as a method for the experimental determining of the effective diffusion coefficients and the erosion rate during plasma treatment of material surfaces. Received: 26 February 1998/Accepted: 15 March 1998     

Preparation of fibrous CoMo/Al2O3 hydrotreating catalysts by the sol-gel method

Fibrous CoMo–Al oxide hydrotreating catalysts have been prepared by the sol-gel method. It is shown that their catalytic properties are similar to the properties of commercial catalysts prepared by traditional methods.