Effects of chemical composition on the structural stability,elastic, vibrational,and electronic properties of Cs2NaLnX6 (Ln = La…Lu,X = F,Cl, Br,I) elpasolites

Elpasolite crystals are very important materials, both from the applied and fundamental points of view. Those elpasolites, which contain rare earth ions with a high atomic number Z, are very much suitable for the low-cost high-performance gamma-ray detection, applications in medicine, food industry, nuclear energy production, processing, and detection of nuclear proliferation. The thermal and structural stabilities are important parameters required for detecting applications, because the performance conditions for such devices are usually very harsh. Since it is widely believed that elpasolites may have even better detection properties, the lack of systematic studies on the elpasolites and thus the unavailability of reliable data on their physical properties and trends in their variation caused by chemical composition considerably hinders search for more efficient new materials. Therefore, to fill in this gap and provide with all essential information about a large number of elpasolites crystals, for the first time, the structural stability, elastic, vibrational, and electronic properties of 60 cubic elpasolite Cs₂NaLnX₆ (Ln = La, …, Lu, X = F, Cl, Br, I) crystals were consistently calculated in the framework of the same computational approach based on the density functional theory (DFT). Variation of all calculated parameters (such as the lattice constants, elastic constants, Debye temperature, normal vibrational modes frequencies, Mulliken effective charges, bond populations, and band gaps) across the considered groups of crystals was analyzed and several trends, which are important for the search and preparation of new stable materials with improved performance, were identified.     

Einsatz von Lamellen-Tropfenabscheidern in Trennkolonnen

Droplet separators, or mist eliminators, are a very important internal part of fluid separation columns. They remove liquid droplets or mist from the gas stream and are installed at the top of the column with vertical gas or vapor flow. They reduce emissions to the atmosphere or to subsequent process steps. Droplet separators even can increase the separation efficiency of fluid separation processes, like absorption, desorption, distillation, evaporation etc. In this work the approach to develop a new vane type droplet separator for separation columns based on experimental investigation and CFD analysis is presented. The new droplet separator has a higher separation efficiency at the same pressure drop compared to state-of-the-art standard droplet separators.     

A new approach for kinetic modeling and optimization of rubber molding

Although extensive research has been carried out on the understanding of the complex vulcanization process, the influence of reversion through exposure time and temperature on the vulcanization degree remains unclear. Therefore, the main aim of this study was a novel optimization approach that can help the industrial practitioners to select the optimal operating parameters, exposure time, and molding temperature, to achieve desired vulcanization degree of selected product. Spheres of four different diameters (2.5, 5, 10, and 20 cm) were selected as test geometry for simulation and optimization of rubber molding. Obtained vulcanization rheometer data for commercially available rubber blend (NR/SBR) were fitted by a new modeling approach, dividing vulcanization curve into two fitting sets: curing and reversion. The heat transfer equations for chosen geometry were coupled with proposed kinetic model. A new temperature-dependent kinetic parameter x, as the maximal reversion degree, was introduced, enabling determination of the lowest operating molding temperature (T_min = 132.36 °C), preventing high reversion and overheating of the rubber product. The final optimization goal was assessment of the optimal temperature and vulcanization time dependence on the rubber products dimensions. Proposed models have precise prediction with R² values greater than 0.8328 and MAPE less than 2.3099%.     

Additives to prevent the formation of surface defects during poly(vinyl chloride) calendering

Gas checks are visible fleck-shaped defects that occur on the surface of poly(vinyl chloride) (PVC) films during industrial calendering. Films containing these surface defects often do not meet minimum product specifications and therefore must be disposed of or recycled, resulting in increased cost and material waste. Currently, gas checks are controlled by keeping film gauge low and through trial-and-error modifications of processing parameters by calender operators. In this work, our group developed a series of chemical additives that can be blended with PVC to prevent the formation of gas check defects. We found that a series of poly(caprolactone) (PCL)-based compounds with diester linkers and alkyl chain cappers were all effective at preventing the formation of gas checks during calendering, with additive concentrations as low as 8 phr producing films with no gas checks. We found that the blends produced with our additives had higher melt viscosities than those produced with additives that do not remove gas checks, suggesting that viscosity plays an important role in preventing gas check defects.     

Optimization of a Fabric Softener Formulation with an Electrochemical Sensor and Streaming Potential Measurements

An electrochemical, cationic, surfactant-selective sensor based on multiwalled carbon nanotubes (MWCNT) functionalized with a sulfate group and the cetylpyridinium ion (MWCNT–OSO₃⁻CP⁺) as a sensing material was used for optimization of the formulation of a fabric softener. Potentiometric titrations were performed and response measurements were obtained using four cationic surfactants (CS) of technical grade and four CS of analytical grade. The slope closest to Nernstian was obtained for di-(tallow carboxyethyl) hydroxyethyl methylammonium methosulfate (MAS) (59.5 ± 1.1 mV/decade of activity in water and 57.5 ± 1.3 mV/decade of activity in CaCl₂). When using CS as analytes in potentiometric titrations, the best accuracy (99.8%) was obtained when using MAS; therefore, it was chosen as the CS for the fabric softener formulation. Due to the better properties of fabric softeners with silicone in their formulations, four silicones at several concentration levels were used as potential additives. Based on the stability and viscosity of the system, the diquaternary polydimethylsiloxane (DPS) (w = 0.19%) was chosen for the fabric softener formulation. The pH did not significantly influence the potential when in the range of 3–8 or the recovery of potentiometric titrations when in the range of 3–7. The application profile of the CS was assessed through streaming potential measurements of reference fabrics in an electrokinetic analyzer. The obtained electrokinetic parameters indicated on lag in adsorption of model fabric softener (MFS) based on MAS (w = 9%), with the addition of silicone DPS (MFS 3), on cotton and polyester fabrics, but advantage in stability when compared with other MFS investigated.     

Stable Shapes of Thin Anisotropic Nano-strips

The elastic properties of a thin anisotropic nano-strip are characterized by its intrinsic mean curvature and intrinsic curvature deviator. It is shown that minimization of the elastic energy of the strip including the deviatoric contribution may explain the stability of the observed helical and twisted shapes of inorganic nano-strips (helix A and B).     

Rigorous analysis on performance of LEO satellite ground station in urban environment

Microsatellites in low Earth orbits (LEOs) have been in use for the past two decades. LEO satellites are used for public communication and also for scientific purposes, and the orbits vary with the type of satellites and the primary purposes. LEO scientific satellites have a variety of applications, including Earth surveillance and astronomy applications. These satellites provide opportunities for investigations for which alternative techniques are either difficult or impossible to apply. Thus, it may be expected that such missions will be further developed in the near future especially in fields where similar experiments by purely Earth‐based means are impracticable. Ground stations have to be established in order to communicate with such satellites, and the quality of communication depends on the performance of the satellite ground station, in addition to that of the satellite. Before the implementation of the ground station, analyses related to environmental factors have to be considered, especially in urban areas. Rain effects, the impact of intermodulation products, and contact time duration at low elevation angles are some of the aspects that are considered in this work and which influence the final decisions on the design of the ground station. Measurements on the ground station based on Sun flux density are described, which provide an opportunity to check the performance of the ground station. Copyright © 2007 John Wiley & Sons, Ltd.     

Performance Evaluation and Policy Selection in Multiclass Networks

This paper concerns modeling and policy synthesis for regulation of multiclass queueing networks. A 2-parameter network model is introduced to allow independent modeling of variability and mean processing-rates, while maintaining simplicity of the model. Policy synthesis is based on consideration of more tractable workload models, and then translating a policy from this abstraction to the discrete network of interest. Translation is made possible through the use of safety-stocks that maintain feasibility of workload trajectories. This is a well-known approach in the queueing theory literature, and may be viewed as a generic approach to avoid deadlock in a discrete-event dynamical system. Simulation is used to evaluate a given policy, and to tune safety-stock levels. These simulations are accelerated through a variance reduction technique that incorporates stochastic approximation to tune the variance reduction. The search for appropriate safety-stock levels is coordinated through a cutting plane algorithm. Both the policy synthesis and the simulation acceleration rely heavily on the development of approximations to the value function through fluid model considerations.     

Experimental investigation and thermodynamic calculation of the Cu–In–Sb phase diagram

The phase diagram of the Cu–In–Sb ternary system is of importance in predicting the interface reaction between In-based solder materials and the Cu substrate.