Near wall characterization of the flow over a two-dimensional steep smooth hill

Near-wall data for the strongly perturbed flow in a neutrally stable boundary layer encountering a steep, smooth, two-dimensional hill are presented. Observations were made on the centerplane of a water channel at thirteen stations relative to the hill by laser Doppler anemometry. The large reverse flow region that is formed on the lee of the hill was particularly scrutinized through seven measuring stations. Results are presented for the mean and turbulent properties of the flow. Wall shear stress was evaluated through fitting procedures that resorted to the near wall behavior of the velocity profile. Logarithmic fits as well as predictions through the Reynolds stress profiles are also presented.     

Anomalous Doppler broadening caused by exothermic reactions: application to hydrogen Balmer lines

The three- and one-dimensional velocity distributions of a product species created by an exothermic reaction are calculated using the energy conservation, with the aim of evaluating the impact of such processes on the anomalous broadening of Doppler lines. The calculations are performed to the reaction H₂⁺ + H₂ → H₃⁺ + H, in which according to Christoffersen (1964) an amount of 1.56 eV is transferred to the product species. It is shown that the deviations relatively to Maxwell-Boltzmann distributions are significant as the internal energy defect ΔE increases, even within energies lower than 1.56 eV, and hence the profiles of excited H^∗ atoms, associated with the emission of hydrogen Balmer lines, created in the sequence of H(n = 1) produced by the above reaction are not of Gaussian-type. The profiles are markedly flatter and squarer than Gaussian distributions. The validity of the species temperature determined from the full width at half maximum (FWHM) of the lines, as well as the fit of the lines by multimodal Gaussian functions, is then analyzed.     

Solution of sparse quasi-square rectangular systems by Gaussian elimination

We present a general method for the linear least-squares solutionof overdetermined and underdetermined systems. The method isparticularly efficient when the coefficient matrix is quasi-square,that is when the number of rows and number of columns is almostthe same. The numerical methods for linear least-squares problemsand minimum-norm solutions do not generally take account ofthis special characteristic. The proposed method is based onLU factorization of the original quasi-square matrix A, assumingthat A has full rank. In the overdetermined case, the LU factorsare used to compute a basis for the null space of A^T. The right-handside vector b is then projected onto this subspace and the least-squaressolution is obtained from the solution of this reduced problem.In the case of underdetermined systems, the desired solutionis again obtained through the solution of a reduced system.The use of this method may lead to important savings in computationaltime for both dense and sparse matrices. It is also shown inthe paper that, even in cases where the matrices are quite small,sparse solvers perform better than dense solvers. Some practicalexamples that illustrate the use of the method are included.     

Mesoporous silica composites containing multiple regions with distinct pore size and complex pore organization

Porous ceramics are of great interest for filtration, catalysis, and reactive separation processes. Performance in these applications is highly dependent on features such as pore size distribution and connectivity and wall composition. Here, we describe a method allowing the rational design and synthesis of mesoporous silica composites with controlled heterogeneous pore architectures and demonstrate its validity by producing structures with predetermined placement of regions having different pore size and pore organization.     

Crystallization kinetics and morphology of poly(lactic acid) with polysaccharide as nucleating agent

Journal of Thermal Analysis and Calorimetry - An ever-increasing concern about environmental pollution has spearheaded research into alternative biodegradable polymers. Currently, poly(lactic acid)...     

Molecular dynamics simulations of pregelification mixtures for the production of imprinted xerogels

A series of molecular dynamics (MD) simulations of different pregelification mixtures representing intermediate stages of the sol-gel process were set up to gain insight into the molecular imprinting process in xerogels, namely, to assess the template-gel affinity and template self-aggregation. The physical plausibility of the parametrization was checked, confirming the reliability of the simulations. The simulated mixtures differed in the water/methanol ratio (1:3, 5:3, and 5:1) and in the absence/presence of an organic functional group (phenylaminopropyl-) in the silicate species. The simulation results, expressed mainly by the radial distribution functions and respective coordination numbers, showed that the affinity of the template molecule, damascenone (a hydrophobic species), for the gel backbone would not be attained without the tested functional group, phenylaminopropyl-. The affinity, related to the capability to trap the template within the gel network, was derived mostly from the hydrophobic interaction. It was also inferred from MD simulations that lower water contents (methanol-richer mixtures) would facilitate a better dispersion of both the functional group and the template within the final gel, therefore favoring the imprinting process. From the experimental counterparts of the simulated mixtures, a series of imprinted and nonimprinted xerogels were obtained. There was only one xerogel exhibiting the imprinting effect, namely, the one containing the organic group obtained at the lower water/methanol ratio (1:3), in agreement with predictions from the MD simulations. Such congruence demonstrates the ability of MD simulations to provide information regarding the fine aspects of molecular interactions in pregelification mixtures for imprinting.