Sol phase and sol-gel transition in SnO2 colloidal suspensions

The effect of concentration on the structure of SnO2 colloids in aqueous suspension, on their spatial correlation and on the gelation process was studied by small angle x-ray scattering (SAXS). The shape of the experimental SAXS curves varies with suspension concentration. For diluted suspensions ([SnO2] less than or equal to 0.13 mol L-1), SAXS results indicate the presence of colloidal fractal aggregates with an internal correlation length xi congruent to 20 Angstrom, without any noticeable spatial correlation between them. This suggests that the aggregates are spatially arranged without any significant interaction like in ideal gas structures. For higher concentrations ([SnO2] = 0.16, 0.32, and 0.64 mol L-1), the colloidal aggregates are larger (xi = 24 Angstrom) and exhibit a certain degree of spatial correlation between them. The pair correlation function corresponding to the sol with the highest concentration (0.92 mol L-1) reveals a rather strong short range order between aggregates, characteristic of a fluid-like structure, with an average nearest-neighbor distance between aggregates d(1) = 125 Angstrom and an average second-neighbor distance d(2) = 283 Angstrom. The pair distribution function remains essentially invariant during the sol-gel transition, suggesting that gelation involves the formation of a few points of connection between the aggregates resulting in a gel network constituted by essentially linear chains of clusters..

SAXS study of crotapotin at low pH

The structure of crotapotin, a protein extracted from the venom of the Crotalus durissus terrificus, in solution at pH = 1.5, was studied by SAXS. The experimental results yield structural parameter values of the molecular radius of gyration R(g) = 13.6 angstrom, volume v = 16.2 x 10(3) angstrom3 and maximal dimension D(max) = 46 angstrom. The distance distribution function deduced from the scattering measurements is consistent with an overall molecular shape of an oblate ellipsoid of revolution with assymetry parameter nu = 0.45.

On linear combinations of L-orthogonal polynomials associated with distributions belonging to symmetric classes

This paper deals with the classes S-3(omega, beta, b) of strong distribution functions defined on the interval [beta(2)/b, b], 0 < beta < b <= infinity, where 2 omega epsilon Z. The classification is such that the distribution function psi epsilon S-3(omega, beta, b) has a (reciprocal) symmetry, depending on omega, about the point beta. We consider properties of the L-orthogonal polynomials associated with psi epsilon S-3(omega, beta, b). Through linear combination of these polynomials we relate them to the L-orthogonal polynomials associated with some omega epsilon S-3(1/2, beta, b). (c) 2004 Elsevier B.V. All rights reserved.

SAXS study of formation and growth of tin oxide nanoparticles in the presence of complexing ligands

The effect of acetylacetone (acac) complexing ligand on the formation and growth of tin oxide-based nanoparticles during thermohydrolysis at 70 degreesC of a tin precursor SnCl4-n(acac)(n) (0 less than or equal to n less than or equal to 2) solution was analyzed by in situ small-angle X-ray scattering. A. transparent and stable sol was obtained after 2 h of thermohydrolysis at 70 degreesC, allowing the quantitative determination of the particle volume distribution function and its variation with the reaction time. The number of colloidal particles for equivalent thermohydrolysis temperature and time decreases as the [acac]/[Sn] ratio in initial solution increases from 0.5 to 6. Instead, the amount of soluble species remaining in solution increases for increasing [acac]/[Sn] ratio within the same range. This indicates that increasing amounts of Sn-acetylacetone complexes partially prevent the hydrolysis and consequent formation of colloidal particles. The N-2 adsorption isotherm characterization of freeze-dried powders demonstrates that the average pore size is approximately equal to the average size (approximate to9 Angstrom) of the colloidal primary particles in the sol, and that the porosity and surface area (approximate to200 m(2) g(-1)) are independent of the acac content in the initial solution.

Nanostructure and properties of ZnO films produced by the pyrosol process

Indium doped ZnO films were deposited by the pyrosol process on glass substrates at different temperatures from solutions containing In/Zn molar ratios up to 10%. The nanostructure of the films was investigated using grazing-incidence small angle X-ray scattering (GISAXS). The mass density was determined by X-ray reflectivity and the composition by X-ray photoelectron spectroscopy. The GISAXS measurements revealed an anisotropic pattern for films deposited at 573 and 623 K and a isotropic one for those deposited at higher temperatures. The anisotropic patterns indicate the presence of elongated nanopores with their long axes perpendicular to the film surface. In contrast, the isotropic nature of GISAXS patterns of films grown at high temperatures (673 and 723 K) suggests the presence of spherical voids. The pore size distribution function determined from the isotropic patterns indicates a multimodal size distribution. on the other hand, the measured mass density of the doped films with isotropic nanotexture is higher than that of the anisotropic films while the electric resistivity is significantly lower. This is in agreement with the detected strong reduction of the void density and specific surface area at approximately constant pore size.

Tensile strength of radio frequency cold plasma treated PET fibers - Part 1: Influence of environment and treatment time

This article reports on a series of experiments with polyethylene terepthalate (PET) treated in a radio frequency plasma reactor using argon and oxygen as a gas fuel, for treatment times equal to 5 s, 20 s, 30 s, and 100 s. The mechanical strength modification of PET fibers, evaluated by tensile tests on monofilaments, showed that oxygen and argon plasma treatment resulted in a decrease in the average tensile strength compared with the untreated fibers. This reduction in tensile strength is more significant for argon plasma and is very sensitive to the treatment time for oxygen plasma. Scanning electron microscopy (SEM) used to analyze the effects of cold plasma treatment on fiber surfaces indicates differences in roughness profiles depending on the type of treatments, which were associated with variations in mechanical strength. Differences in the roughness profile, surveyed through an image analysis method, provided the distance of roughness interval, D-ri. This parameter represents the number of peaks contained in a unit length and was introduced to correlate fiber surface condition, before and after cold plasma treatments, and average tensile strength. Statistical analysis of experimental data, using Weibull cumulative distribution and linear representation, was performed to explain influences of treatment time and environmental effects on mechanical properties. The shape parameter, alpha, and density parameter, beta, from the Weibull distribution function were used to indicate the experimental data range and to confirm the mechanical performance obtained experimentally.

Application of a new reverse Monte Carlo algorithm to polyatomic molecular systems. I. Liquid water

Using a new reverse Monte Carlo algorithm, we present simulations that reproduce very well several structural and thermodynamic properties of liquid water. Both Monte Carlo, molecular dynamics simulations and experimental radial distribution functions used as input are accurately reproduced using a small number of molecules and no external constraints. Ad hoc energy and hydrogen bond analysis show the physical consistency and limitations of the generated RMC configurations. (C) 2001 American Institute of Physics.

Gas concentration and temperature excited Delft turbulent jet in acoustically flames

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

On a moment problem associated with Chebyshev polynomials

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

X-ray diffraction investigation of Co(II) ions in borosilicate glasses

The radial distribution functions of cobalt glasses with 6%, 8%, and 14% CoO are compared with those of suitable cobalt-free borosilicate matrices leading to difference distribution curves representative of the cobalt structural arrangement. Analysis of the curves indicates that cobalt ions are surrounded by approximately four oxygen neighbors at the distance expected for fourfold coordination. © 1986 American Institute of Physics.

Study of water and dimethylformamide interaction by computer simulation

Monte Carlo simulations of water-dimethylformamide (DMF) mixtures were performed in the isothermal and isobaric ensemble at 298.15 K and 1 atm. The intermolecular interaction energy was calculated using the classical 6-12 Lennard-Jones pairwise potential plus a Coulomb term. The TIP4P model was used for simulating water molecules, and a six-site model previously optimised by us was used to represent DMF. The potential energy for the water-DMF interaction was obtained via standard geometric combining rules using the original potential parameters for the pure liquids. The radial distribution functions calculated for water-DMF mixtures show well characterised hydrogen bonds between the oxygen site of DMF and hydrogen of water. A structureless correlation curve was observed for the interaction between the hydrogen site of the carbonyl group and the oxygen site of water. Hydration effects on the stabilisation of the DMF molecule in aqueous solution have been investigated using statistical perturbation theory. The results show that energetic changes involved in the hydration process are not strong enough to stabilise another configuration of DMF than the planar one.

Effective pair potentials and structure of water

Classical Monte Carlo calculations have been performed in order to investigate the ability of the TIP4P, SPC, and SPCE water models to reproduce the structural features of liquid water. The simulations were carried out in the NPT ensemble at 4 thermodynamic conditions. The results are compared with recent neutron diffraction data. Essentially, the three models capture equally well the thermodynamic and structural features of water. Although they were parametrized to reproduce the water properties at ambient conditions, the agreement with the experimental pair correlation functions was even better at supercritical conditions. This is because the effective pair potentials have some difficulty to reproduce cooperative interactions, like hydrogen bonds. These interactions are less effective at supercritical conditions, where the liquid behaves roughly like a gas.

Light-front quark-meson coupling model

We formulate a quark-meson coupling model for nuclear matter using light front variables. We present results for saturation properties of nuclear matter and in-medium nucleon properties. We also calculate the distribution function of the plus momentum carried by nucleons in nuclear matter. Our model predicts that vector mesons carry only 7% of the fraction per nucleon of the total plus momentum of the system.

Determination of resonant frequencies of triangular and rectangular microstrip antennas, using artificial neural networks

This paper presents models that can be used in the design of microstrip antennas for mobile communications. The antennas can be triangular or rectangular. The presented models are compared with deterministic and empirical models based on artificial neural networks (ANN) presented in the literature. The models are based on Perceptron Multilayer (PML) and Radial Basis Function (RBF) ANN. RBF based models presented the best results. Also, the models can be embedded in CAD systems, in order to design microstrip antennas for mobile communications.

Interactive system for placement and coordination of overcurrent protective devices

In this paper, an expert and interactive system for developing protection system for overhead and radial distribution feeders is proposed. In this system the protective devices can be allocated through heuristic and an optimized way. In the latter one, the placement problem is modeled as a mixed integer non-linear programming, which is solved by genetic algorithm (GA). Using information stored in a database as well as a knowledge base, the computational system is able to obtain excellent conditions of selectivity and coordination for improving the feeder reliability indices. Tests for assessment of the algorithm efficiency were carried out using a real-life 660-nodes feeder. © 2006 IEEE.