Nanoindentation,AFM and tribological properties of thin nc-WC/a-C Coatings

Instrumented indentation, AFM (atomic force microscopy) and tribological studies were performed on PE CVD (Plasma Enhanced Chemical Vapor Deposition) nanocomposite WC–C coatings to investigate the effects of surface roughness on the reliability of nanoindentation data and the possibilities of different AFM modes in nanomechanical testing, which can be used as a feedback to optimize deposition technology from the viewpoint of their mechanical properties. It was confirmed that surface roughness below 30 nm is necessary to keep the scatter of indentation modulus, E_IT, and hardness, H_IT, below 15%. PF QNM (Peak Force Quantitative NanoMechanical) mode was successfully applied for qualitative mapping of the elastic modulus of coatings with the stiffness above 300 GPa. LFM (lateral force microscopy) mode showed only weak contrast and quantitative measurements in both AFM modes require precise calibration. Coefficients of friction of the studied WC–C coatings were below 0.2 at RT, but increased to 0.7–0.8 at 450 °C due to the formation of a transfer film. Optimization of the deposition conditions based on nanoindentation resulted in the increase of E_IT from ～220 GPa to 350 GPa and H_IT from ～17 GPa to ～29 GPa.     

Numerical modelling of calcination reaction mechanism for cement production

Calcination is a thermo-chemical process, widely used in the cement industry, where limestone is converted by thermal decomposition into lime CaO and carbon dioxide CO₂. The focus of this paper is on the implementation and validation of the endothermic calcination reaction mechanism of limestone in a commercial finite volume based CFD code. This code is used to simulate the turbulent flow field, the temperature field, concentrations of the reactants and products, as well as the interaction of particles with the gas phase, by solving the mathematical equations, which govern these processes. For calcination, the effects of temperature, decomposition pressure, diffusion and pore efficiency were taken into account. A simple three-dimensional geometry of a pipe reactor was used for numerical simulations. To verify the accuracy of the modelling approach, the numerical predictions were compared with experimental data, yielding satisfying results and proper trends of physical parameters influencing the process.     

Stereometric analysis of nanostructured boehmite coatings synthesized by aluminum nitride powder hydrolysis

We studied the morphological properties of precipitated, nanostructured, boehmite coatings on a polished alumina surface by exploiting the aluminum nitride (AlN) powder hydrolysis at elevated temperatures. The hydrolysis tests of the 3 wt% AlN powder suspensions in the temperature range 50–90 °C were performed in order to estimate the time needed for the synthesis of the coatings. They consisted of interlocked boehmite lamellas, positioned perpendicularly to the ceramic surface, and they exhibited a strong temperature-dependent size and surface density. The aim of this research was a quantitative assessment of the as-formed boehmite coatings. Based on electron microscopy micrographs, a stereometric analysis of the as-prepared coatings was performed in order to estimate the relevant geometric parameters of the lamellas. In spite of the temperature-dependent lamellas’ size and surface density, the specific volume of the coatings was similar for all the synthesis temperatures.     

Antiproliferative and Proapoptotic Activities of Methanolic Extracts from Ligustrum vulgare L. as an Individual Treatment and in Combination with Palladium Complex

The aim of this study is to examine the growth inhibitory effects of methanolic leaf and fruit extracts of L. vulgare on HCT-116 cells over different time periods and their synergistic effect with a Pd(apox) complex. The antiproliferative activity of plant extracts alone or in combination with the Pd(apox) complex was determined using MTT cell viability assay, where the IC(50) value was used as a parameter of cytotoxicity. Results show that antiproliferative effects of L. vulgare extracts increase with extension of exposure time, with decreasing IC(50) values, except for 72 h where the IC(50) values for methanolic leaf extract were lower than for the fruit extract. The Pd(apox) complex alone had a weak antiproliferative effect, but combination with L. vulgare extracts caused stronger effects with lower IC(50) values than with L. vulgare extracts alone. The type of cell death was explored by fluorescence microscopy using the acridin orange/ethidium bromide method. Treatments with plant extracts caused typical apoptotic morphological changes in HCT-116 cells and co-treatments with Pd(apox) complex caused higher levels of apoptotic cells than treatment with plant extracts alone. The results indicate that L. vulgare is a considerable source of natural bioactive substances with antiproliferative activity on HCT-116 cells and which have a substantial synergistic effect with the Pd(apox) complex.     

Effects of aging on polyimide: A study of bulk and interface chemistry

We are investigating the bulk and interfacial chemistry of polyimide (PI) exposed to heat and relative humidity (RH) stress (85°C/85% RH) over long periods to understand the long-term reliability aspects of PI for microelectronic applications. The PI surface chemistry and the PI–Si interface chemistry was followed with electron spectroscopy for chemical analysis (ESCA). For exposure times greater than 550 h, the PI surface exhibits significant changes in emission structure and atomic concentration. The PI–Si interface indicates little change in the PI chemistry when compared to control samples. The water-contact angle at the PI surface shows no statistically significant change as a function of exposure time. Bulk and surface chemistry were followed with Fourier transform infrared spectroscopy (FTIR) in a grazing incidence reflection configuration. There were measurable differences in FTIR spectra between aged and control samples only for the case of very thin PI layers. These results suggest that for exposure times of less than 1100 h, chemical changes in PI occur primarily at the PI–air interface for samples 1 μm thick and greater. These changes represent a possible rearrangement of the imide structure and may be a form of deimidization of the polymer, but the final state is not polyamic acid. The PI surface chemistry changes observed with ESCA are reversible upon reheating to the cure temperature.     

Antibacterial modification of nylon-6 nanofibers: structure,properties and antibacterial activity.

Antibacterial nylon 6 (PA6) nanofibers have been prepared in one-step procedure using Nanospider technology. Chlorhexidine (CHX), 1-dodecyltrimethylamonium bromide (DTAB) and benzyltrimethylamonium bromide (BTAB) have been used as antibacterial agents. Samples were characterized by a series of analytical and testing methods to investigate the surface chemistry, zeta potential, structure, morphology, phase composition, mechanical properties and antibacterial activity. Experimental characterization has been combined with molecular modeling to analyze the interaction of nanofibers with modifying molecules for better understanding the effect of nanofibers modification on their properties. Antibacterial modification of PA6 led to significant changes of zeta potential (from -31 mV for PA 6 up to -49 mV for PA6/BTAB), changes in phase composition (decrease of alpha phase content and increase of gamma phase content for PA6/BTAB and PA6/CHX) and to significant increase of fiber diameter for PA6/BTAB. Antibacterial modification resulted in the straightening of nanofibers and to higher permeability of nanofiber textile for all investigated samples. Tensile tests showed the the increase of Young modulus for all the investigated samples. All the modified samples: PA6/DTAB, PA6/BTAB and PA6/CHX exhibit good antibacterial activity.     

Model-Based Analysis of Convective Grain Drying Processes

ABSTRACT

Simulation results for convective drying processes in cross-flow packed bed grain dryers are discussed in this article. A mathematical model developed in order to enable easier design of convective dryers and optimization of operating conditions for agricultural materials (wheat, corn, sunflower seed, etc.) is used in the study. On the basis of calculated values of the state variables of the gas phase and the solids, a clear image of the process itself can be obtained, as well as an overview of advantages and disadvantages of a specific design, supporting and facilitating decisions about the choice of dryer type and operating scheme. The case of double passing of drying agent, with and without additional heating, for a cross-flow continuous dryer, as well as the case of different materials processed in a series of cross-flow batch dryers, is analyzed.     

π-ELECTRON CONTENTS OF RINGS IN THE DOUBLE-HEXAGONAL-CHAIN HOMOLOGOUS SERIES (PYRENE,ANTHANTHRENE AND OTHER ACENOACENES)

Abstract

Recently three methods for calculating the π-electron content of rings of benzenoid hydrocarbons were put forward: one based on the consideration of Kekuléstructural formulas, and the other two based on an analogous treatment of the Clar aromatic sextet formulas. These three methods are applied to the homologous series consisting of two condensed acene chains (whose first members are pyrene, anthanthrene, peri-naphthacenonaphthacene, …), leading to basically identical results. In contrast to acenes (in which the partition of π-electrons into rings is uniform), in the double-hexagonal-chain species the partition of π-electrons is highly non-uniform. The electron content monotonically decreases, in opposite directions, along the two acene chains, being maximal in the least annelated rings. Some other generally valid regularities in the π-electron properties of the double–hexagonal–chain benzenoids are also pointed out.     

PARTITIONING OF π-ELECTRONS IN RINGS OF POLYCYCLIC conjugated HYDROCARBONS. PART 1: CATACONDENSED BENZENOIDS

Recently a novel view on Kekulé valence structures (or resonance structures) was reported in which their standard geometrical representation was replaced by a numerical representation obtained by assigning π-electrons associated with CC double bonds to individual benzenoid rings. In the present article, we examine in more detail the partitioning of π-electrons to benzenoid rings for cata-condensed benzenoid hydrocarbons. For special families of cata-condensed benzenoids, we offer formulas which allow one to obtain the average π-electron ring content for individual benzenoid rings of polycyclic conjugated hydrocarbons. We also show that the average π-electron ring content for individual benzenoid rings can be calculated from Pauling bond orders without a need to examine all Kekulé resonance structures of a molecule.