Development of New Sulphonyl Resin from Modification of Commercial Resin

Summary This article deals with the handy synthesis of sulfonyl resins, which were produced by the treatment of a commercial sulfonic resin (Lewatit VPOC1812^® based at divinylbenzene (DVB) and styrene (STY). The preliminary chemical modification was based on the reaction of the Lewatit VPOC1812^® with thionyl chloride aiming to produce the sulfonyl chloride groups. The best conditions to obtain the sulfonyl chloride groups were: SOCl₂/SO₃H (molar ratio) =13 at 79 °C during 72 h. The resin chlorinated was afterward treated with urea, thiourea or guanidine. The functionalized resins with urea, thiourea or guanidine were produced with 56, 68 and 93% yield, respectively. The commercial and modified resins were characterized by apparent density, swelling degree, elemental analysis (CHNS), FTIR, optical microscopy (OM) and scanning electron microscopy (SEM).     

Three-dimensional fracture simulation with a single-domain,direct boundary element formulation

An efficient hypersingular boundary integral equation method for three-dimensional fracture mechanics was presented in a previous paper. The details of the numerical implementation of this method are further discussed herein. In particular, an algorithm for achieving the required differentiability of the crack surface displacement function is discussed. To illustrate the utility of the method, computational results for several strongly interacting multiple-crack geometries are presented. The calculated stress intensity factors are in excellent agreement with those obtained by an approximate analytical method due to Kachanov and Laures.     

Trends in Hydrological Parameters of a Southern Brazilian Watershed and its Relation to Human Induced Changes

The Piracicaba river basin is a subtropical watershed located in the southeastern region of Brazil. With an area of 12 400 km², the basin is a typical example of new landscape resulting from development in tropical and sub-tropical regions: establishment of intensive industrial and agricultural processes were followed by significant population growth and water management. This scenario has led to significant increase in water demand and decrease in water quality. The main objective of this study is the detection of changes in the patterns of flow and precipitation in the basin, and its possible relation to man-induced changes. Statistical analyses were performed on records of precipitation, evapotranspiration and streamflow, from 1947 to 1991. Precipitation and evapotranspiration totals showed significant increasing trends for the entire basin. From eight streamflow gauge stations, half showed significant decreasing trend. The most probable cause of such trends is the export of water from the basin to the metropolitan region of São Paulo city.     

Analytic methods for modeling longitudinal data from rolling therapy groups with membership turnover.

Interventions for a variety of emotional and behavioral problems are commonly delivered in the context of treatment groups, with many using rolling admission to sustain membership (i.e., admission, dropout, and discharge from group are perpetual and ongoing). The authors present an overview of the analytic challenges inherent in rolling group data and outline commonly used (but flawed) analytic and design approaches to addressing (or sidestepping) these issues. Moreover, the authors propose use of latent class pattern mixture models (LCPMMs) as a statistically and conceptually defensible approach for modeling treatment data from rolling groups. The LCPMM approach is illustrated with rolling group data from a group-based alcoholism pilot treatment trial (N = 128). Different inferences were made with regard to treatment efficacy under LCPMM vs. the commonly used standard group-clustered latent growth model (LGM); coupled with other preliminary findings in this area, inferences from LGMs may be overly liberal when applied to data from rolling groups. Continued work on data analytic difficulties in groups with membership turnover is critical for furthering the ecological validity of research on behavioral treatments. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

包含热模型的大功率MOSFET新型电路模型

功率转换器的功率密度越来越高，发热问题越来越严重，这种功率转换器的设计对现代大功率半导体技术提出了新的挑战；因而，热问题的优化设计和核实变得比大功率器件的电模型更加重要，本文提出一种新的PSPICE模型，可以利用它计算MOSFET芯片在瞬变过程中的温度。其中的热阻可以从制造商提供的产品使用说明书得到。本文介绍的模型提供发热和电气参数之间的动态关系。它建立了与许可的热环境的关系，例如，栅极驱动电路、负载、以及散热器的分析与优化设计。利用这个模型可以改善散热器的设计。由于决定功率损耗的参数是分布在一定范围内，受生产制造的影响很大，因而散热器的设计往往由于无法预先知道功率损耗而无法进行。     

Wake and aerodynamics loads in multiple bodies—application to turbomachinery blade rows

Two-dimensional, unsteady flow around bodies of complex geometry (or multiple bodies) at high Reynolds number is simulated using the vortex method. This method is modified to take into account the sub-grid scale phenomena through a second order velocity structure function model adapted to the Lagrangian scheme. The dynamics of the body wake is computed using the convection-diffusion splitting algorithm; the convection process is carried out with a Lagrangian Adams-Bashforth time-marching scheme and the diffusion process is simulated using the random walk method. The pressure distribution is obtained using an integral equation derived from the pressure Poisson equation, which was first developed for a single body. Results for the numerical simulation around a linear cascade of airfoils are presented. As the flow is periodic in the y direction, the discrete vortex shedding need only be considered for a reference airfoil. The flow characteristics around the NACA 65-410 series airfoils are calculated and comparisons are made with results available in the literature.     

Molecular dynamics simulations of polyphosphazenes: poly[bis(chloro)phosphazene][NPCl2] n

Suitable parameter sets for the CHARMm force field were derived for the structural units in polychlorophosphazene [P=N, P N, P Cl] using the Dinur Hagler energy second derivative procedure based on quantum mechanical SCI calculations using the 6–31G^* basis set. To validate the reliability of the parameter set, structural results obtained with CHARMm for the adopted model compounds (OP₂NCl₅ and OP₃N₂Cl₅) were compared with those derived fromab initio quantum mechanics using the 6–31G^* basis set. Application of molecular dynamics (MD) simulations in combinatioin with the available X-ray diffraction data provided structural and conformational information on the polymer. The calculation made using the periodic boundary conditions (PBC) agree well with the polychlorophosphazene ordered in a monoclinic unit cell (a=5.98,b=12.99,c=4.92 A; β=111.7). This model was stabilized mainly by the image atoms contribution to the electrostatic energy term and had aquasi-planar conformation of the backbone chain (glide symmetry). The MD calculations also provided evidence that the difference between single and double PN bonds is less marked than that measured experimentally. This result is, however, in agreement with more recent and accurate X-ray studies on poly(methylphosphazene). Validation of the polymer model provided a complete picture, otherwise experimentally inaccessible, of the internal fluctuations of the polymeric chains.     

Finite element analysis of partly wrinkled reinforced prestressed membranes

Wrinkling is a well known phenomenon experimented by tension membranes in Civil Engineering applications. This paper will present an efficient numerical technique for the computational simulation of such wrinkles in a prestressed membrane. In particular, the relaxed energy approach (Pipkin in IMA J Appl Math 36:85–99, 1986) is particularized for prestressed membranes (Gil in Textile composites and inflatable structures, CIMNE, 2003) undergoing moderate strains. Wrinkling conditions in terms of the Euler-Lagrange finite deformation tensor along principal directions will be obtained. This will provide a framework to describe properly the initial instant when wrinkles start to be encountered in a prestressed Saint Venant–Kirchhoff hyperelastic membrane. Subsequently, a modified Helmholtz’s free energy functional will be introduced with the purpose of describing the modified constitutive behaviour of the continuum after the onset of wrinkling. Consistent derivations of the stress tensor as well as the constitutive tensor will de depicted. The results will be particularized for membranes and cables in a Finite Element discretization basis. Some numerical examples will prove the accuracy and robustness of the described algorithm.     

Effects of organic farming on minerals contents and aroma composition of Clemenules mandarin juice

Consumers demand organic products because they believe that the organic products are more flavorful and respectful to the environment and human health. The effects of organic farming on the minerals contents and aroma composition of Clemenules mandarin juices were studied. Minerals (Fe, Cu, Mn, Zn, Ca, Mg, K, and Na) were quantified using atomic absorption-emission spectroscopy, while volatile compounds were extracted using the dynamic headspace technique and were identified and quantified by GC–MS. In general, organic farming produced a mandarin juice with a higher quality than that produced by conventional agricultural practices. Higher concentrations of both minerals and positive volatile compounds were found in the organic juice, while the formation of off-flavors was higher in the conventional juice, although threshold values were not reached.