Materials Literature
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We study the effects of chemical bonding on Raman scattering from benzenethiol chemisorbed on silver clusters using time-dependent density functional theory (TDDFT). Raman scattering cross sections are computed using a formalism that employs analytical derivatives of frequency-dependent electronic polarizabilities, wh…
We developed a method for calculating the ground-state properties and fundamental band-gaps of solids, using a generalized Kohn-Sham approach combining a local density approximation (LDA) functional with a long-range explicit exchange orbital functional. We found that when the range parameter is selected according to…
We present and discuss results of the density functional theory (DFT) for perfect UO(2) crystals with He atoms in octahedral interstitial positions therein. We have calculated basic bulk crystal properties and He incorporation energies into the low temperature anti-ferromagnetic UO(2) phase using several exchange-corr…
Hybrid polymeric networks composed of polyacrylamide and chitosan were developed to determine their swelling and ascorbic acid delivery kinetics at various chitosan concentrations. The hybrid acrylamide/chitosan hydrogels were synthesized in aqueous itaconic acid solution (1% w/w). Young’s modulus was also evaluated f…
The theoretical and experimental study of a thermoplastic polymer foaming process is presented. Industrial scraps of PET were used for the production of foamed sheets. The process was performed by making use of a chemical blowing agent (CBA) in the extrusion process. Due to the low intrinsic viscosity of the recycled…
The present review article describes in detail the state-of-the-art of organic-inorganic hybrid materials based on polyimide/silica components. The article is divided in three parts. In the first the basic processing route for the preparation of these systems is described, i.e. the sol-gel technique, along with the st…
Both Conducting and Ferromagnetic polyaniline containing nickel (abbreviated as PANI-Ni) is synthesized in a solution containing aniline, HCl and NiCl2, using peroxydisulphate as an oxidant and horseradish peroxidase as a catalyst. The conductivity of PANI-Ni is about 10 -1 S cm -1 . The result of electron paramagneti…
Chitosan/Na + -montmorillonite/multi-walled carbon nanotubes (CTS/MMT/MWCNTs) nanocomposite films were prepared by a simple solution-evaporation method. The effects of MMT and MWCNTs on mechanical properties of the nanocomposite films were investigated. The results indicate that the simultaneously introduced MMT and M…
Theoretical consideration of a magnetically driven arc was performed to elucidate the variation of heat flux with an imposed DC magnetic field. Experiments were conducted to confirm the validity of the theoretical model. The heat flux decreased concomitantly with increased imposed magnetic flux density. Theoretical pr…
In this study we report on morphological and rheological characterization of multi-walled carbon nanotube (MWNT)-polycarbonate composites produced by injection molding. The main focus is to carry out nonlinear viscoelastic experiments that allow following the structural rearrangements of carbon nanotubes in the polyca…
Tribological properties of Ethylene-Propylene-Diene-rubber (EPDM) containing electron modified Polytetrafluoroethylene (PTFE) have been investiagted with the help of pin on disk tribometer without lubrication for a testing time of 2 hrs in atmospheric conditions at a sliding speed and applied normal load of 0.05 m•s–1…
Binary and ternary composites of recycled poly(ethylene terephtalate) (rPET), short glass fibres (SGF) and/or impact modifier (IM) were prepared by melt compounding and injection moulding. SEM images of rPET/IM fracture surfaces indicated that IM particles of about 1-2 m in diameter were uniformly distributed in the r…
The study on the anion effect of different Zn sources—Zn(CH3COO)2, ZnCl2, ZnI2, Zn(NO3)2 and ZnSO4—on the chemical deposition of ZnS(O,OH) films revealed that the growth rate and composition of the ZnS(O,OH) layer depend on the instability constant (pK) value of the corresponding Zn-complex Zn(L)n in the chemical bath…
The gettering of 4th row element impurities (K, Ca, 3d transition metals, and Zn) in Si crystals by dopant atoms was systematically investigated by first-principles calculation through evaluation of the diffusion barrier and the binding energy. The dopant atoms considered include p-type dopants (B), n-type dopants (P,…
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The goal of this paper is to examine, by quantitative XRD analysis, the effect of heavy metal cation concentrations (Pb2+, Cu2+) on the selectivity phenomenon in the case of dioctahedral smectite (i.e., Na-montmorillonite). The quantitative XRD analysis is achieved using an indirect method based on the comparison of e…
Nano crystalline powders of Barium Sodium Niobate (BNN) with the composition Ba3-2x Na4+x R Nb10 O30 with (R stands for rare earth = 0, x = 0) have been prepared by conventional ceramic technique. Barium Sodium Niobate can form a wide range of solid solutions, incorporating rare earth and alkali, alkaline earth elemen…
Mass increase of vinylchloride-maleic anhydride (VC-MA) copolymer samples aged in tetrahydrofuran (THF) or in 1,4-dioxane results from chemical interaction of VC-MA macromolecules with 1,4-dioxane or THF. Microstructure of the products of such modification was proved by infrared spectroscopy (IR-) and nuclear magnetic…
A new class of organic-inorganic hybrid nanocomposites was obtained by blending PMMA-modified silsesquioxane hybrid materials with epoxy matrix followed by curing with methyl tetrahydrophthalic anhydride. The hybrid materials were obtained by sol-gel method through the hydrolysis and polycondensation of the silicon sp…
Polyethylene (LDPE, LLDPE and HDPE) composites with different copper (micro-and nano-sized particles) contents were prepared by melt mixing and compression moulding. The melting and crystallization behaviour of the different composites was analysed using a differential scanning calorimeter (DSC), and the thermal stabi…