Characterization of polyether‐poly(methyl methacrylate)‐lithium perchlorate blend electrolytes

Solid polymer electrolyte (SPE) systems based on interpenetrating blends of poly(ethylene oxide‐co‐propylene oxide) and poly(methyl methacrylate) host matrices, with lithium perchlorate as guest salt, were prepared. These electrolytes were presented as free‐standing films, and their thermal and electrochemical properties were characterized by conductivity and electrochemical stability measurements. The properties of the interpenetrating blends of poly(ethylene oxide‐co‐propylene oxide) and poly(methyl methacrylate) host matrices as the electrolyte component of a solid‐state electrochromic device are reported and the results obtained suggest that this electrolyte provides an encouraging performance in this application. The most conducting electrolyte composition of this SPE system is the formulation designated as SPE2‐0PC (5.01 × 10^?4 S cm^?1 at about 57°C). The lowest decomposition temperature was registered with the SPE6‐15PC composition (233°C). The average transmittance in the visible region of the spectrum was above 41% for all the samples analyzed. After coloration the device assembled with 71 wt% PC presented an average transmittance of 15.71% and an optical density at 550 nm of 0.61. Copyright © 2010 John Wiley & Sons, Ltd.     

Niobium oxide solid catalyst: esterification of fatty acids and modeling for biodiesel production

Biodiesel can be obtained from fatty acid raw materials through esterification. The reactivity of lauric, palmitic, stearic, oleic, and linoleic fatty acids with methanol using powdered niobic acid as a heterogeneous catalyst was investigated in this work, both experimentally (in a batch reactor) and theoretically. A 2³ experimental design was used, with methanol/fatty acid molar ratio, catalyst concentration, and temperature as main factors. An empirical model demonstrated that temperature is the most important variable. Fourteen heterogeneous and 56 homogeneous‐like kinetic models were tested. A homogeneous‐like model considering zero order for all species and inhibition by water was the most adequate for experiments without catalyst. A homogeneous‐like model considering a second‐order reaction in relation to the fatty acid and no water inhibition was the most adequate for niobic acid catalyzed reaction. Molecular modeling confirmed the experimental results showing that the reactivity is directly related to the increase of unsaturated bonds and the reduction of carbon chain length. The polarity of the fatty acid is determinant in the reactivity. At the molecular level, reaction occurs between the HOMO orbital of methanol and LUMO orbitals of fatty acids and reactivity is higher when the energy difference between these orbitals is lower. Copyright © 2010 John Wiley & Sons, Ltd.     

Wavelet-Based Estimation for Univariate Stable Laws

Stable distributions are characterized by four parameters which can be estimated via a number of methods, and although approximate maximum likelihood estimation techniques have been proposed, they are computationally intensive and difficult to implement. This article describes a fast, wavelet-based, regression-type method for estimating the parameters of a stable distribution. Fourier domain representations, combined with a wavelet multiresolution approach, are shown to be effective and highly efficient tools for inference in stable law families. Our procedures are illustrated and compared with other estimation methods using simulated data, and an application to a real data example is explored. One novel aspect of this work is that here wavelets are being used to solve a parametric problem, rather than a nonparametric one, which is the more typical context in wavelet applications.     

Substitutional adsorption of K on Fe(100)

The adsorption of potassium on Fe(100) was studied by time-of-flight forward scattering and recoiling spectroscopy (TOF-SARS), low energy electron diffraction (LEED) and Auger electron spectroscopy (AES). After heating to 650 K of the potassium saturated surface the formation of a p(3 × 3) potassium superstructure was observed by LEED. TOF-SARS experiments ruled out the adsorption of potassium in the on-top, bridge and four-fold hollow site. The only site which is in agreement with all experimental results is the substitutional site where K replaces an Fe atom of the topmost layer of the crystal. This is the first time a substitutional adsorption site has been found on a bcc surface. On an fcc surface such an adsorption site has been found recently for adsorption of sodium and potassium on Al(111).     

Axioms for Sequential Convergence

It is of general knowledge that those (ultra)filter convergence relations coming from a topology can be characterized by two natural axioms. However, the situation changes considerable when moving to sequential spaces. In case of unique limit points Kisyński (Colloq Math 7:205–211, 1959/1960) obtained a result for sequential convergence similar to the one for ultrafilters, but the general case seems more difficult to deal with. Finally, the problem was solved by Koutnik (Closure and topological sequential convergence. In: Convergence Structures 1984 (Bechyně, 1984). Math. Res., vol. 24, pp. 199–204. Akademie-Verlag, Berlin, 1985). In this paper we present an alternative approach to this problem. Our goal is to find a characterization more closely related to the case of ultrafilter convergence. We extend then the result to characterize sequential convergence relations corresponding to Fréchet topologies, as well to those corresponding to pretopological spaces.      

Probing the color glass condensate in an electron-ion collider

Perturbative quantum chromodynamics (pQCD) predicts that the small-x gluons in a hadron wavefunction should form a color glass condensate (CGC), characterized by a saturation scale Q_s(x,A), which is energy and atomic number dependent. In this paper, we study the predictions of CGC physics for electron-ion collisions at high energies. We consider that the nucleus at high energies acts as an amplifier of the physics of high parton densities and estimate the nuclear structure function F₂^A(x,Q²), as well as the longitudinal and charm contributions, using a generalization for nuclear targets of the Iancu–Itakura–Munier model that describes the ep HERA data quite well. Moreover, we investigate the behavior of the logarithmic slopes of the total and longitudinal structure functions in the kinematical region of the future electron-ion collider eRHIC.     

Global stability analysis of parametrically excited cylindrical shells through the evolution of basin boundaries

In the present study, the large-amplitude vibrations and stability of a perfect circular cylindrical shell subjected to axial harmonic excitation in the neighborhood of the lowest natural frequencies are investigated. Donnell's shallow shell theory is used and the shell spatial discretization is obtained by the Ritz method. An efficient low-dimensional model presented in previous publications is used to discretize the continuous system. The main purpose of this work is to discuss the use of basins of attraction as a measure of the reliability and safety of the structure. First, the nonlinear behavior of the conservative system is discussed and the basin structure and volume is understood from the topologic structure of the total energy and its evolution as a function of the system parameters. Then, the behavior of the forced oscillations of the harmonically excited shell is analyzed. First the stability boundaries in force control space are obtained and the bifurcation events connected with these boundaries are identified. Based on the bifurcation diagrams, the probability of parametric instability and escape are analyzed through the evolution and erosion of basin boundaries within a prescribed control volume defined by the manifolds. Usually, basin boundaries become fractal. This together with the presence of catastrophic subcritical bifurcations makes the shell very sensitive to initial conditions, uncertainties in system parameters, and initial imperfections. Results show that the analysis of the evolution of safe basins and the derivation of appropriate measures of their robustness is an essential step in the derivation of safe design procedures for multiwell systems.     

Nonfickian effect in time and space for diffusion processes

Diffusion processes are usually simulated using the classical diffusion equation. In certain scenarios, such equation induces anomalous behavior and consequently several improvements were introduced in the literature to overcome them. One of the most popular was the replacement of the diffusion equation by an integro‐differential equation. Such equation can be established considering a modification of Fick's mass flux where a delay in time is introduced. In this article, we consider mathematical models for diffusion processes that take into account a memory effect in time and space. © 2015 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 31: 1589–1602, 2015     

New Acetogenins from the Seeds of Annona coriacea

From the hexane and MeOH extracts of Annona coriacea Mart . (Annonaceae) seeds, two novel acetogenins, coriapentocins A and B ( 1 and 2 , resp.) were isolated. The known acetogenin bullacin ( 3 ) was also isolated from the hexane extract. The structures of compounds 1 – 3 were elucidated by NMR and MS analysis, and relative configurations were established by comparison with literature data.