Ionic Polymerization of α, α -Disubstituted Vinyl Monomers

Alkyl α-chloroacrylates and p-substituted α-methylstyrenes were investigated for the effect of polymerization conditions on tacticity, molecular weight, and distribution, and for the relationship between tacticity, glass temperature, and crystalline properties.     

Measuring persistence in a stationary time series using the complex network theory

A growing interest exists currently in the analysis of time series by the complex network theory. Here we present a simple and quick way for mapping time series to complex networks. Using a simple rule allows us to transform time series into a textual sequence then we divide it into words with fixed size. Distinct words are nodes of the network, and we have complete control on the network scale by adjusting the word size. Two nodes are linked if their associated words co-occur in sequence. We show that the network topological measures quantify the persistence and the long range correlations in fractional Brownian processes. For a particular word size we assume some relations between the topological measures and the Hurst exponent which characterised the persistence in fractional Brownian processes.     

Fortschritte in der Auswertung von Markierungsversuchen an dynamischen Systemen

In einem dynamischen System vollziehen sich kontinuierlich ablaufende Stoffwandlungen, deren Ausgangsstoffe dem System ständig zufließen und deren Folgeprodukte das System kontinuierlich verlassen. Es wird das Verhalten eines solchen Systems mit drei Pools bei Markierungsexperimenten untersucht. Die Ergebnisse dieser mathematischen Untersuchungen werden auf die Erforschung des Stickstoffstoffwechsels laktierender Rinder mit Hilfe des stabilen Isotops ¹⁵N angewandt. In diesem Fall enthält das dynamische System zwei kleine stoffwechselaktive Pools und einen großen, niclit intensiv am Stoffwechsel beteiligten Körpereiweiβ-Pool.     

Analysis of the anisotropy of group velocity error due to spatial finite difference schemes from the solution of the 2D linear Euler equations

Numerical differencing schemes are subject to dispersive and dissipative errors, which in one dimension, are functions of a wavenumber. When these schemes are applied in two or three dimensions, the errors become functions of both wavenumber and the direction of the wave. For the Euler equations, the direction of flow and flow velocity are also important. Spectral analysis was used to predict the error in magnitude and direction of the group velocity of vorticity–entropy and acoustic waves in the solution of the linearised Euler equations in a two‐dimensional Cartesian space. The anisotropy in these errors, for three schemes, were studied as a function of the wavenumber, wave direction, mean flow direction and mean flow Mach number. Numerical experiments were run to provide confirmation of the developed theory. Copyright © 2012 John Wiley & Sons, Ltd.     

Probabilistic approaches to compute uncertainty intervals and sensitivity factors of ultrasonic simulations of a weld inspection

For comprehension purpose, numerical computations are more and more used to simulate the propagation phenomena observed during experimental inspections. However, the good agreement between experimental and simulated data necessitates the use of accurate input data and thus a good characterization of the inspected material. Generally the input data are provided by experimental measurements and are consequently tainted with uncertainties. Thus, it becomes necessary to evaluate the impact of these uncertainties on the outputs of the numerical model. The aim of this study is to perform a probabilistic analysis of an ultrasonic inspection of an austenitic weld containing a manufactured defect based on advanced techniques such as polynomial chaos expansions and computation of sensitivity factors (Sobol, DGSM). The simulation of this configuration with the finite element code ATHENA2D was performed 6000 times with variations of the input parameters (the columnar grain orientation and the elastic constants of the material). The 6000 sets of input parameters were obtained from adapted statistical laws. The output parameters (the amplitude and the position of the defect echo) distributions were then analyzed and the 95% confidence intervals were determined.     

Solution behavior of polyimide‐graft‐polystyrene copolymers in selective solvents

A polyimide‐graft‐polystyrene (PI‐g‐PS) copolymer with a polyimide backbone and polystyrene side chains was synthesized by the “grafting from” method using styrene polymerization on a polyimide multicenter macroinitiator via ATRP mechanism. The side chain grafting density z = 0.86 of PI‐g‐PS is rather high for graft‐copolymers synthesized by the ATRP method. Molecular characteristics and solution behavior of PI‐g‐PS were studied in selective solvents using light scattering and viscometry methods. In all solvents, the backbone tends to avoid contact with a poor solvent. To describe the conformation and hydrodynamic properties of PI‐g‐PS macromolecules in thermodynamically good solvents for side chains and PI‐g‐PS, the wormlike spherocylinder model is used. Macromolecules of the studied graft‐copolymer are characterized by high equilibrium rigidities (Kuhn segment length >20 nm). In Θ‐conditions, PI‐g‐PS macromolecules may be modeled by a rigid prolate ellipsoid of revolution with a low asymmetry form and a collapsed backbone as the ellipsoid core. © 2014 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2014 , 52, 1539–1546     

Use of Molecular Electrostatic Potentials for Analysis of Anticonvulsant Activities of Phenylsuccinimides

Abstract

The present study was performed on a group of 27 derivatives of phenylsuccinimides, of which only 12 were active against maximal electrical shock in spite of the structural similarities of these compounds. The work consisted of four main parts: 1. crystallographic investigations of a subset of chosen compounds; 2. conformational analysis of characteristic molecules from the investigated series, performed by means of molecular mechanics calculations; 3. molecular orbital optimization of all the molecules using the MNDO method starting with conformations obtained in 2; 4. molecular electrostatic potential (MEP) analysis which was performed on the semiempirical (MNDO) and ab initio levels. This research showed that MEP maps provide a signature that distinguishes between active and inactive compounds. There are MEP minima close to the two carbonyl oxygens of the imide ring, and although the magnitude of the difference between the two minima is approximately constant, the sign of the difference provides an activity index. The initial orientations of phenylsuccinimide molecules in relation to the receptor are not equivalent and they depend on the potential distribution around both the succinimide molecules and around the receptor. In the active compounds the negative potential difference at the discussed points most probably influences the initial set-up of the molecules in relation to the receptor and results in a considerably higher probability of the molecules being bound at the right place on the receptor.     

Exact solution of functionally graded thick cylinder with finite length under longitudinally non-uniform pressure

Elastic analysis of a functionally graded thick-walled cylindrical pressure vessel is analytically studied in the present research. Gradation is considered for all mechanical properties along the thickness direction based on a power function. The constitutive relations are developed in the general cylindrical coordinate system for an axisymmetric pressurized cylinder. For simulation of these two deformation components, first order shear deformation theory is considered. The FG cylinder is subjected to longitudinally non-uniform pressure along the length of the cylinder. The present problem is applicable for simulation of non-uniform pressurized cylinder by fluids or gases.     

An Experimental Method to Decrease Heating Time in a Commercial Furnace

Abstract

The aim of this article is to present an experimental method to optimize the heating time in a furnace in order to show an example of the progression toward increasingly empirical solutions as the problems become progressively more unwieldy. During this experimental study, different cases are carefully chosen to compare and measure the effects of applying different enhancement methods of the heat transfer processes. It is found that changing the inner geometry by introducing radiant panels inside the heated chamber leads to important time savings in the heating process by increasing the convection rate in the furnace.