Ultrasonic spectroscopic evaluation of the ring‐opening metathesis polymerization of dicyclopentadiene

An in situ ultrasonic spectroscopy technique was used to study the ring‐opening metathesis polymerization of dicyclopentadiene catalyzed by bis(tricyclohexylphosphine)benzylidene ruthenium dichloride. A reaction cell employing a flexible poly(ethylene terephthalate) window for pulse echo ultrasonic spectroscopy was used to monitor the polymerization. The changes in the density, wave speed, acoustic modulus, and attenuation were all simultaneously monitored. In comparison with Fourier transform infrared (FTIR) spectroscopy data, the changes in the density, velocity, and modulus only accurately measured the rate constant for the metathesis of the cyclopentyl unsaturation. The ultrasonic values were within 6% of the values determined by FTIR. The activation energy for metathesis of the cyclopentyl unsaturation was 84 kJ mol^?1, following first‐order kinetics. Rate constants for the polymerization of the norbornyl unsaturation could not be determined by ultrasound. The gel point, vitrification, and qualitative information about the reaction rate could be determined from the change in the attenuation. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 41: 1323–1333, 2003     

An analysis of migration paths of Li+ cations in ternary oxygen-containing compounds Li p X q O r

A new method was developed for studying voids and channels in crystal structures based on the Voronoi-Dirichlet partition of crystal space, and 822 structurally characterized ternary compounds Li ^p X ^q O ^r were analyzed for the first time. For these compounds, the dimensionality was determined and the migration patterns of channel systems capable of providing lithium-ion transport were constructed. The calculated coordinates of lithium atoms in the centers of the voids are consistent (within 0.4 ?) with the known structural data. Among these compounds, 113 compounds have infinite channel systems, 60 compounds (18 structural types, STs) have been described earlier in the literature as solid electrolytes, and 53 compounds (23 STs) can be considered as potential one-, two-, or three-dimensional ionic conductors (13, 3, and 7 STs, respectively). Original Russian Text ? N.A. Anurova, V.A. Blatov, G.D. Ilyushin, O.A. Blatova, A.K. Ivanov-Shitz, L.N. Dem’yanets, 2008, published in Kristallografiya, 2008, Vol. 53, No. 6, pp. 987–993.     

The kinetics of the light-induced defect creation in hydrogenated amorphous silicon – Stretched exponential relaxation

Our model for light-induced defect creation in hydrogenated amorphous silicon is applied to its kinetics, i.e., the growing curve of light-induced dangling bond density as a function of illumination time, which is fitted to a stretched exponential function. Two parameters β and τ involved in the function are estimated as functions of saturated dangling bond density in terms of our model. These are compared with two experimental results, i.e., our results obtained from ESR measurements and Shimakawa et al.’s results obtained from photoconductivity measurements. The saturated dangling bond density is also measured as a function of the generation rate of free carriers. The experimental results are compared with calculated results and discussed.     

Microstructure dependent dynamic fracture analyses of trabecular bone based on nascent bone atomistic simulations

Trabecular bone fracture is closely related to the trabecular architecture, microdamage accumulation, and bone tissue properties. Primary constituents of trabecular tissue are hydroxyapatite (HA) mineralized type-I collagen fibers. In this research, dynamic fracture in two dimensional (2-D) micrographs of ovine (sheep) trabecular bone is modeled using the mesoscale cohesive finite element method (CFEM). The bone tissue fracture properties are obtained based on the atomistic strength analyses of a type-I collagen + HA interfacial arrangement using molecular dynamics (MD). Analyses show that the presented framework is capable of analyzing the architecture dependent fracture in 2-D micrographs of trabecular bone.     

Structural hierarchy of rock masses and the mechanisms of its formation

The formation mechanisms for the structural hierarchy in geological media are discussed. It is shown that the formation of such a hierarchy is caused by certain external and internal circumstances. The first ones consist in the fact that, because of external actions, the Earth’s poles continuously execute the translational and rotational motions responsible for a regular structure of rock fracture and for the appearance of the scale factor √2. The second ones consist in the fact that, under the action of many random factors and because of external actions, during the formation of geological media there appear dissipative structures and, hence, some self-similar fractal structures are formed.     

Chlorination of aromatic substrates catalyzed by the phthalocyanine complexes

The chlorination of benzene, toluene, and o-xylene with molecular chlorine in the presence of the phthalocyanine complexes of different structures was studied. The transformations of the catalysts during the reaction were investigated. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 8, pp. 1644–1647, August, 2008.     

Effect of selective interactions of ionic acrylamide copolymers on flocculation properties with respect to titanium oxide in aqueous salt solutions

The kinetics of unhindered sedimentation of a titanium dioxide suspension (as model dispersed system) was studied, and the effect of the concentration and mode of addition of various formulations based on anionic and cationic acrylamide copolymers on their flocculation properties in aqueous salt (NaCl) solutions was evaluated.     

4-Functionally-substituted 3-heterylpyrazoles: XIX. 3-aryl-4-(5-isoxazolyl)pyrazoles

Oximes of 4-(4-pyrazolyl)-3-buten-2-onees obtained by successive reaction of 3-aryl-4-formylpyrazoles with acetone and hydroxylamine at the treatment with iodine suffered an oxidative cyclization yielding 3-aryl-4-(5-isoxazolyl)pyrazoles.