Al ionic radius influence on molecular dynamics simulations ofγ-Al2O3

Molecular dynamics (MD) simulations of-Al₂O₃, using a pairwise additive interaction potential of Pauling's type with four different radii for aluminum atoms, were analysed in order to determine the influence of the radius on the modification of coordination numbers of A1 relative to the ideal structure, at two different temperatures of 300 and 1500 K. It is found that the best choice is the radius of penta-coordinated aluminum, reproducing structural and vibrational properties of the compound in excellent agreement with experimentally observed properties.     

Margarines: A rheological study

Time-dependent flow properties of both commercial and pilot plant-made margarines were characterized under steady shear. Flow curves were fitted to the kinetic expression τ = τ _i +a e ^−k1t +b e ^−k2t . A first-order kinetic model did not describe the observed destruction process of the margarine structure in an adequate manner. In the proposed model, two structures with different destruction rates are postulated. Each structure contributes to a part of the shear stress necessary to deform the margarine sample. The parameters τ _i a andb are temperature-dependent. Decreasing temperatures produce an exponential increase of τ _i , a linear increase ofb and an increase ofa up to a point beyond which it remains constant. A physical interpretation of the model is proposed. The role of the aqueous phase was also studied. Greater hardness was detected at higher water content. Parameter τ _i increased, at any selected temperature, with increasing aqueous phase content of the sample. Parametera increased with decreasing temperatures and higher water content. On the other hand, parameterb was not affected by the amount of aqueous phase. This kinetic model could be employed to perform studies on the influence of different parameters of margarine formulation on its rheologic behavior.     

Digestibility and nutritional value of crude oil from three amaranth species

Oils from a selection ofAmaranthus caudatus, A. hypochondriacus andA. cruentus were extracted with hexane. The crude oils were analyzed for acid value, saponification and iodine number, and were included in basal casein diets for rat studies at 5 and 10% levels to replace equal amounts of refined cottonseed oil. The oils fromA. cruentus andA. hypochondriacus were similar in the oil properties studied and different fromA. caudatus. At either 5 or 10% food intake levels, weight gain and PER were not statistically different from values reported for cottonseed oil. True digestibility of amaranth oil was lower than that of cottonseed oil.A. cruentus oil gave the lowest digestibility. Oil levels induced statistical differences in food intake and digestibility. Oils fromA. caudatus, A. hypochondriacus and cottonseed induced similar serum cholesterol levels, while oil fromA. cruentus gave statistically higher values. Hemoglobin, hematocrit and serum proteins were similar among all groups. Microscopic analysis of the organs of the rats revealed some changes that were also found in cottonseed oil-fed rats. It was concluded that crude amaranth oil has lower digestibility than cottonseed oil, but that it is not responsible for growth-depressing effects when the seed is fed raw as compared to processed materials.     

The role of temperature in copper electrocrystallization in ammonia-chloride solutions

This paper presents the analysis of temperature effect on the copper electrocrystallization process from the stainless steel/Cu(II)-Cu(I)-NH₄Cl-NH₃-H₂O system. Electrochemical techniques and scanning electron microscopy with energy dispersion spectroscopy were employed. An increment in temperature had a favorable effect in increasing the kinetic and nucleation parameters, favoring the copper reduction on the stainless steel substrate. From the chronoamperometric study, it was possible to find the transfer coefficient (α), which does not have a significant variation with temperature, and the exchange current density (i₀) for different temperatures, where a 50.63 kJ/mol value was estimated for the activation energy. The potentiostatic study suggested the presence of two processes involved: an electron transfer reaction and a 3D nucleation—growth process, under combined charge transfer and diffusion limitations. In addition, an important current contribution could be accounted for on the basis of the existence of a capacitive component in the system. This capacitive behavior was associated to the oxide layer (Cr₂O₃)-chloride interactions on the stainless steel surface. Current transients analyses at different potentials, based on the models of: Milchev (low overpotential), Scharifker-Mostany (SM) and Heermann-Tarallo (HT) (high overpotential) allowed to obtain the values of nucleation parameters, such as: the nucleation rate constant (A), the active nucleation sites number (N₀), the stationary nucleation rate (I_st = A × N₀) and the nuclei saturation number (N_s). Finally, the deposits obtained were analyzed by SEM, showing an acceptable correlation between the nucleation parameters and morphology of the deposits obtained. An increment in temperature favored the growth of the cluster before the coalescence occurred.     

Encapsulation of Hydroxyapatite Microspheres with Fluorapatite Using a Diffusion Process

Modification of hydroxyapatite surfaces can improve the properties of biomedical devices. The objective of this work was to encapsulate hydroxyapatite particles with a fluorapatite layer. A suspension of hydroxyapatite microspheres was prepared in a solution at different pH and treated with ammonium fluoride. pH, calcium, and fluoride were monitored in real time and particles subjected to fluoride analysis. After addition of fluoride, it was found that more material is released from the particle surface at low pH conditions, but leads to a high fluoride uptake from solution. Low solution fluoride levels produce a fluorapatite layer, but higher fluoride levels produce calcium fluoride.     

Online FPS games: effect of router buffer and multiplexing techniques on subjective quality estimators

First Person Shooters are a genre of online games in which users demand a high interactivity, because the actions and the movements are very fast. They usually generate high rates of small packets which have to be delivered to the server within a deadline. When the traffic of a number of players shares the same link, these flows can be aggregated in order to save bandwidth. Certain multiplexing techniques are able to merge a number of packets, in a similar way to voice trunking, creating a bundle which is transmitted using a tunnel. In addition, the headers of the original packets can be compressed by means of standard algorithms. The characteristics of the buffers of the routers which deliver these bundled packets may have a strong influence on the network impairments (mainly delay, jitter and packet loss) which determine the quality of the game. A subjective quality estimator has been used in order to study the mutual influence of the buffer and multiplexing techniques. Taking into account that there exist buffers which size is measured in terms of bytes, and others measured in packets, both kinds of buffers have been tested, using different sizes. Traces from real game parties have been merged in order to obtain the traffic of 20 simultaneous players sharing the same Internet access. The delay and jitter produced by the buffer of the access router have been obtained using simulations. In general, the quality is expected to be reduced as the background traffic grows, but the results show an anomalous region in which the quality rises with the background traffic amount. Small buffers present better subjective quality results than bigger ones. When the total traffic amount gets above the available bandwidth, the buffers measured in bytes add to the packets a fixed delay, which grows with buffer size. They present a jitter peak when the offered traffic is roughly the link capacity. On the other hand, buffers which size is measured in packets add a smaller delay, but they increase packet loss for gaming traffic. The obtained results illustrate the need of knowing the characteristics of the buffer in order to make the correct decision about traffic multiplexing. As a conclusion, it would be interesting for game developers to identify the behaviour of the router buffer so as to adapt the traffic to it.     

Structure and Properties of Long-Wavelength-Transmitting Halide Glasses

The lower halides of zinc, namely, ZnCl₂, ZnBr₂, and ZnI₂, may act as network formers in glasses that also contain modifying alkali halides such as KCI, KBr, KI, NaI, or CsI. Compositions which contain only Br⁻ or I⁻ anions are of particular interest because of their extended infrared transmission, which includes the ∼10-μm region, in addition to full visible transparency. A series of modified zinc halide glasses were prepared and characterized by differential scanning calorimetry, middle and far Fourier transform infrared spectroscopy, and polarized Raman spectroscopy. T _g values were characteristically low, around 40°C. Bulk glass infrared transmission up to 15 to 20 μm was recorded. The most probable glass structures are discussed and compared to oxide glass models. An attenuation of  0.001 dB/km has been projected as a possible intrinsic minimum for optical fibers operating near ∼6 μm.     

Second-law efficiency analysis of a coal gasification process

The present paper summarizes a comprehensive Second-Law analysis of the SYNTHANE process of coal gasification⁽¹⁾, based on the available-energy concept as applied to design conditions and data. The analysis yields an overall process efficiency of 46%. For every 100 MJ of useful energy supplied with coal, 51 MJ are consumed during the various unit operations while effluents carry 3 MJ. Unit 30, Steam and Power Production, consumes nearly 20 MJ; Unit 15, Gasification, used up nearly 16 MJ; Units 12 and 14, Coal Preparation and Feeding, about 5 MJ; Units 16 and 17, Raw Gas Quenching and Shift Conversion, 4 MJ; Unit 32, Oxygen Plant, approximately 2 MJ; other miscellaneous units contribute a combined available-energy destruction of 4 MJ. The Second-Law analysis unveils the inefficiencies present in the process and their sources, thus pinpointing the opportunities for improvement in the SYNTHANE process.     

Comparative study of homogeneous and heterogeneous styrene polymerizations with Ni(acac)2/MAO catalytic system

Styrene polymerization was carried out with Ni(acac)₂/MAO and Ni(acac)₂/SiO₂/MAO. The influence of reaction parameters (Al/Ni mole ratio, catalyst concentration, temperature and time polymerization) on styrene polymerization was evaluated. It was observed that both catalytic systems were affected by reaction parameters and that the heterogeneous catalyst presented higher activity than the homogeneous one. Polystyrenes with different molecular weight, stereoregularity and polydispersity were obtained. These results suggest that different active catalyst species could have been present. In addition, two types of methylaluminoxane (MAO) with different molecular weights were also evaluated as cocatalyst. As a result, the catalyst activity and stereospecificity were strongly affected by the MAO type.     

<Emphasis Type="Italic">In situ</Emphasis> monitoring of solid fat content by means of pulsed nuclear magnetic resonance spectrometry and ultrasonics

An ultrasonic technique was developed to study the crystallization process of edible fats on-line. A chirp wave was used instead of the conventional pulser signal, thus achieving a higher signal-to-noise ratio. This enabled measurements to be made in concentrated systems [≈20% solid fat content (SFC)] through a 8.11-cm thick sample without significant signal loss. Fat samples were crystallized at 20, 25, and 30°C at a constant agitation rate of 400 rpm for 90 min. The crystallization process was followed by ultrasonic spectroscopy and a low-resolution pulsed nuclear magnetic resonance spectrometer. Specific relationships were found between ultrasonic parameters [integrated response, time of flight (TF), and full width half maximum] and SFC. TF, which is an indirect measurement of the ultrasonic velocity (v), was highly correlated to SFC (r ²>0.9) in a linear fashion (v=2.601 SFC+1433.0).