On the signal degradation induced by the interpolation and the sampling rate reduction in aeroacoustics hybrid methods

Taking place within more extensive work that focuses on hybrid methods in aeroacoustics, the present study is devoted to the data transfer operations that are to be performed between two stages of a hybrid calculation. More precisely, the article focuses on two typical operations that usually accompany such data transfer, which are (i) the sampling rate reduction and (ii) the interpolation of the unsteady perturbations to be transmitted from one stage to the other. First part of the paper analyzes the two main issues of such operations, which are the spuriousing and the aliasing phenomena. For doing so, the usual notions of the interpolation theory are revisited before they are synthesized within an original approach. The here proposed formalism allows to understand better both the spuriousing and the aliasing phenomena, as well as to accurately predict the impact of the latter on the data to be transmitted in terms of signal degradation. Second part of the paper provides an illustration and a validation of these theoretical developments via a direct application to a typical aerodynamic noise problem (aeroacoustic emission by a 2D cylinder cross flow). There, it is further shown how the here proposed formalism can help in improving aeroacoustics hybrid calculations by predicting (and thus possibly minimizing) the bias to be induced on the acoustic extrapolation stage because of the aliasing and/or spuriousing effects inherited from the sampling rate reduction and/or interpolation of CFD data—which is likely to occur in any hybrid scenario. Copyright © 2012 John Wiley & Sons, Ltd.     

Zn[aminoacid]2 hybrid materials applied as heterogeneous catalysts in the synthesis of β-enaminones

Hybrid materials have seized attention from scientific community mainly as heterogenic catalysts in organic reactions on a large scale succeeding in some organic compounds with high yields. One of the most important classes of hybrid materials used for this purpose involves the complexation of Zn and aminoacids. Herein, we introduced Zn[Pro]₂ and Zn[Gly]₂ in the synthesis of several β-enaminones via solvent free protocol and using an ultrasound device.     

A systematic methodology to design silica templates: Silica microemulsion formulation and nanodroplet type and size estimation

A systematic study of the design and characterization of silica-microemulsion templates is presented. The ternary phase diagrams in micro-heterogeneous systems, by using a non-ionic surfactant (Brij 30) and different silica precursors (MTEOS, TEOS, PTEOS), have been drawn. Based on Khalweit diagrams, the phase inversion temperature was estimated as close to 315 K, for both alchil (TEOS) and aril (PTEOS) types of alcoxides. By correlating the information obtained from phase diagrams at room temperature with that of size effects revealed by VIS absorption molecular probes (bromthymol blue dye), the phase inversion point, i.e. the transition point from water-in-oil to oil-in-water microemulsion, was also clearly established as corresponding to R ∼ 1. Besides technically attractive features such as a wide variety of inorganic and hybrid nanomaterials, high specific surface and highly efficient applicative properties of the final materials, the approach of silica-microemulsion-based templates can be seen as a route towards the Green Chemistry concept.     

Isoconversional Curing and Degradation Kinetics Study of Self-assembled Thermo-responsive Resin System Bearing Oxime and Iminium Groups

This paper demonstrates synthesis of a self-assembled resin system containing p-acetylpyridine oxime, formaldehyde and p-methoxyacetophenone moieties in main chain and thermally cross-linkable periphery oxime groups, and application as antimicrobial coating in biomedical applications. The post-polymerization conversion from oxime into iminium groups was observed by heating scan, with exothermic peaks being at 194 to 247°C. Various degradation models including the Flynn-Wall-Ozawa (F-W-O), Kissinger-Akahira-Sunose (K-A-S), Tang (T) and Friedman (F) methods were employed to check the thermal stability of self-assembly by computing apparent activation energy. It has also exhibited strong biocidal properties against gram-positive and gram-negative bacteria, and fungi until the macrochain retains some positive charge. The obtained results prove that the structure of links, which combine the hydrophobic pyridine rings with the hydrophilic iminium groups, is responsible for the high biocidal activity of the resin system.     

A Novel Mixed-valence and Capped-keggin Structural Polyoxometal Complex： {[Co（dien）]4- [（PO4）MoVs（WVI0.56 noVI0.44）4033（OH）3]}.nH2O （n ≈ 1）

A novel inorganic-organic hybrid compound, {[Co（dien）]4[0aO4）MoV8（wV10.56MoV10.44）4- O33（OH）3]}＇nH20 （1, n = 1, dien = diethylenetriamine）, has been synthesized hydrothermally and characterized by single-crystal X-ray diffraction. Compound 1 crystallizes in the triclinic system with a = 11.927（2）, b = 13.328（3）, c = 19.306（4）A, a = 93.76（3）, β = 94.14（3）, γ = 109.99（3）°, V= 2863.2（12） A3, space group P1 and Z = 2 at 173 K. The final full-matrix least-squares refinement converged to R = 0.049 for 9621 observed reflections with 1 〉 2σ（I） and wR = 0.139 for all data （9871） and S = 1.073. Crystal structure analysis shows that 1 contains a kind of the first reported mixed-valence and molybdenum-tungsten mixed-distributed e-Keggin structural polyanion capped by four Co（dien） fragments with the main group element P occupying the center site. These results were further confirmed by energy-dispersive X-ray spectroscopy （EDS）, X-ray powder diffraction （XRD）, Fourier transform infrared spectroscopy （FTIR）, Raman spectroscopy, Thermogravimetry （TG） and X-ray photoelectron spectroscopy （XPS） analyses.     

Hybrid Particle–Continuum Simulations of Polymer Brushes in Shear Flow

A hybrid particle–continuum method is used to study the shear flow confined between two opposing walls, one of which is coated with polymer chains. Molecular dynamics (MD) is used in the particle region near the brush and Navier–Stokes (NS) equations are applied in the remaining region where the continuum assumption holds. The information exchange from the continuum region to the particle region is implemented using the constrained particle dynamics. Both Couette shear flow and oscillatory flow are considered in the present work. The effect of the shear flow on the conformational characteristics of polymer brushes is analyzed. In the overlap region, the velocities obtained from MD simulations are smoothly connected with those from NS equations. Our investigations demonstrate that the hybrid particle–continuum model is valid in exploring the shear behavior of polymer brushes.