Improvement of the Composition of Detergent Solutions for the Removal of Deposits on the Axial-Compressor Blades of Gas-Turbine Units

During the operation of gas-turbine units deposits, which have the form of a conglomerate of hydraulic oil and contaminations from atmosphere air, are accumulated on the axial-compressor blades. Deposits are occasionally removed using solid abrasive or detergent solutions. Only detergent solutions are employed on modern units, because abrasive substances damage the protective sputtering of blades. The detergent solutions that are used have a high cost and are unsafe in use. In this work, a high-performance detergent solution is suggested, which is able to dissolve deposits on the axial-compressor blades of gas-turbine units.     

Application of power expansion in the thermodynamics of compressible Markovian copolymers

The problem of constructing phase diagrams for a compressible melt of a binary Markovian copolymer is reduced to a set of nonlinear differential equations in partial derivatives with transcendental relationships. Using power expansions, the closed set of nonlinear differential equations is derived. This set allows its further analytical study. Eigenvalues of a linearized system are analyzed, and the boundaries of the thermodynamic stability of melts are defined. Nonlinear equations in normal coordinates are obtained; for symmetric melts, these equations are reduced to a single equation by adiabatic elimination of small-scale variables. Binodal curves are calculated for such solutions of this equation, which correspond to the free energy minimum of melts. Corrections reflecting the effect of melt nonsymmetry are found. The results are applied for copolymers, whose composition is similar to that of homopolymers, diblock copolymers, and random and regularly alternating copolymers. Spinodals and binodals corresponding to microphase separation are constructed.     

Review of chemical methods for the determination of penicillin

The published methods for the analysis of penicillin are classified according to whether they are intended a) to differentiate between types of penicillin, or b) to determine the total penicillins present in a given sample.The limitations of many of these methods are indicated, and those which are attractive for possible routine application are discussed in detail.     

Importance of the catalytic effect of the substrate in the functionality of lubricant additives: the case of molybdenum dithiocarbamates

Molybdenum dithiocarbamates (MoDTCs) are lubricant additives very efficient in reducing the friction of steel, and they are used in a number of industrial applications. The functionality of these additives is ruled by the chemical interactions occurring at the buried sliding interface, which are of key importance for the improvement of the lubrication performance. Yet, these tribochemical processes are very difficult to monitor in real time. Ab initio molecular dynamics simulations are the ideal tool to shed light on such a complicated reactivity. In this work, we perform ab initio simulations, both in static and tribological conditions, to understand the effect of surface oxidation on the tribochemical reactivity of MoDTC, and we find that when the surfaces are covered by oxygen, the first dissociative steps of the additives are significantly hindered. Our preliminary tribological tests on oxidized steel discs support these results. Bare metallic surfaces are necessary for a stable adsorption of the additives, their quick decomposition, and the formation of a durable MoS₂ tribolayer. This work demonstrates the importance of the catalytic role of the substrate and confirms the full capability of the computational protocol in the pursuit of materials and compounds more efficient in reducing friction.     

The geometry of nonmetal hydrides and the ligand radius of hydrogen

The aim of this paper was to investigate why the geometries of nonmetal hydrides are often not in accordance with the VSEPR model. From a consideration of interligand distances in a variety of BX(4), CX(4), and NX(4) molecules where X is a ligand or a lone pair and in which there are at least two H ligands we have shown that the hydrogen ligands are essentially close-packed. For each of the central atoms we have obtained a value for the ligand radius of hydrogen. These radii decrease with decreasing negative charge and increasing positive charge of the hydrogen ligand as the electronegativity of the central atom increases, as has been found previously for other ligands such as F and Cl. We show that ligand-ligand intractions are an important factor in determining bond angles in hydrides and that the ligand close-packing (LCP) model gives a better explanation of bond angles than the VSEPR model according to which bond angles depend on the electronegativity of the ligand rather than on its size. For example, although the very small angles in PH(3) and SH(2) are not in accord with the VSEPR model, they are consistent with the LCP model in that they are a consequence of the small size of hydrogen ligands which are pushed together by the lone pairs until they are almost close-packed.     

Fluid dynamics of dilute suspensions and fouling of tubular membrane modules

The role of dilute suspensions in fouling a ultrafilter tubular membrane module is studied in detail for a wide range of wall permeation flux conditions. The inlet flow profiles are assumed to be either uniform (plug flow) or parabolic (fully developed) shape. It is assumed that the particles are neutrally buoyant and the concentrations are so low that it does not influence the fluid flow. Furthermore, the particle-particle interactions and the forces of interaction between the particle and the membrane wall are assumed to be unimportant. The governing equations of motion for the fluid are solved by a finite difference scheme. To compute the particulate fouling, the equations of motion for the particles are solved by the fourth-order Runge-Kutta-Gill method. Results are presented for both hydrodynamics and membrane fouling by dilute suspensions for conditions such as the effect of assumed inlet velocity profiles, and a wide range of wall permeation flux conditions.     

Successive construction of cellulase hyperproducers of Trichoderma using hyperpolyploids

When the swollen conidia of Trichoderma reesei QM 6a are treated with 0.1% (w/v) colchicine solution, huge autopolyploid nuclei can be formed in those swollen conidia. When a mycelial mat derived from such a conidum is treated with a haploidizing reagent, benomyl, many fan-shaped sectors are produced from the colony, and cellulase hyperproducers are selected from conidia on the colony. When colchicine and benomyl treatments are repeated on cellulase hyperproducers, new hyperproducers can be constructed successively and systematically. Moreover, when conidia derived from autopolyploids are treated with ethylmethanesulfonate solution, another type of cellulase hyperproducers (polyploids) can be obtained.     

封闭异氰酸酯几种反应的动力学

封闭异氰酸酯广泛地应用于各种单组分涂料、粉末涂料和胶粘剂中。近年来,随着人们对水性聚氨酯的重视和开发,封闭异氰酸酯的重视和使用程度进一步加大。本文对封闭异氰酸酯的相关反应的动力学进行了综述,对两种不同的反应机理及其动力学的影响因素作了介绍。     

Applications of fuzzy theory to spatially resolved analysis of solids

Fuzzy theory is applied to compare response profiles and surfaces in spatially resolved materials analysis. Different options are proposed for the type of membership function, the definition of spreads, and specially defined similarity values. These similarity values are expressed analytically, thus permitting the development of a fast computer program. A special normalization in the calculation of the similarity values allows a set of distributions to be arranged hierarchically by clustering; the distributions are displayed as a dendrogram. The fuzzy techniques are also used to judge the homogeneity of a solid with respect to the distribution of chemical elements on its surface. Depth profiles from Rutherford back-scattering spectrometry and results of surface analysis by spark-source mass spectrometry are investigated as practical examples.     

Applicability of Statistical Theories of Network Formation

Summary: The basis of the statistical method of generation of branched and crosslinked structures as a Markov process is analyzed with special emphasis on the effect of differences in reactivities of functional groups. For irreversible reactions, it is important that the transition probabilities are calculated kinetically and that bonds once formed are not allowed to be reformed. The statistical methods are often a good approximation of real situation even if not all approximations used in the model are fulfilled. Cyclization is still a serious problem in modeling; For practical application it is recommended to rescale calculated ring-free dependences against the experimental gel point.     

Test of an integral approximation scheme based on semiorthogonalized orbitals in LCAO SCF MO CI calculations of naphthalene

Ab initio LCAO SCF MO CI calculations of naphthalene are carried out with a minimal basis set to test an integral approximation scheme proposed in a previous paper. When 71.3 and 53.0% of the two-electron integrals are neglected, the errors in the SCF total energy are only ?0.0534 and ?0.0006 a.u., respectively. In the latter case, the maximum absolute errors of the orbital energy and the gross AO population are 0.007 a.u. and 0.001, respectively. Even in the former case the errors of the excitation energies are less than 0.0004 a.u. Errors of oscillator strengths are also examined and are found to be tolerably small.     

Two-dimensional Monte Carlo simulations of a polydisperse colloidal dispersion composed of ferromagnetic particles for the case of no external magnetic field

We have investigated the aggregation phenomena in a polydisperse colloidal dispersion composed of ferromagnetic particles by means of the cluster-moving Monte Carlo method. The results have been compared with those for a monodisperse system. The internal structures of aggregates have been analyzed in terms of the radial distribution function in order to clarify the quantitative differences in the internal structures of clusters. In addition, the cluster size distribution and angular distribution function have been investigated. The results obtained in the present study are summarized as follows. In a monodisperse system, open necklacelike clusters are formed and they extend with increasing strength of the magnetic particle-particle interaction. In a polydisperse system with a small standard deviation in the particle size distribution, sigma=0.2, larger necklacelike clusters are formed and some looplike clusters can also be observed. In a polydisperse system with a larger standard deviation, sigma=0.35, clumplike clusters are formed for a weak magnetic particle-particle interaction. For a stronger magnetic interaction, larger size clusters that exhibit a complicated network structure are formed. These complicated cluster formations found in a polydisperse system are mainly due to the effect of the presence of larger particles.     

Observation of a fluorescent dimer of a sulfonated phthalocyanine

With very few exceptions, phthalocyanine dimers are found to be nonfluorescent. We report here the observation of a fluorescent dimer of a tetrasulfonated copper phthalocyanine in ethanol and water. Fluorescence excitation and emission spectra at room temperature and at 77 K are presented. These are consistent with the conventional model of exciton coupling in a cofacial dimer.     

Spectroscopy and photoreactivity of trichochromes: molecular components of pheomelanins

The trichochromes are a class of small molecules present in pheomelanin (the red melanin) and absent in eumelanin (the black melanin). Herein trichochrome F (TF) and decarboxytrichochrome C (dTC) are examined. Both trichochromes are characterized by a visible absorption band, which is shown to be the result of overlapping transitions of the cis and trans isomers. The temperature dependence of the absorption spectrum of dTC suggests the additional presence of equilibrium between the enol and keto forms of the molecule. These conclusions are supported by ground-state energies of these isomers obtained using a continuum solvation model. Near-infrared emission measurements were not able to detect photoproduction of 1O2, and spin-trapping experiments revealed formation of O2*-. DNA nicking assays also revealed a low level of light-induced aerobic activity of dTC, suggesting a quantum efficiency of at most 5 x 10(-6) for the photogeneration of O2*-. These results are consistent with pump-probe optical experiments, which reveal efficient and nearly complete ground-state recovery within a few picoseconds of excitation. Both trichochromes are efficient quenchers of 1O2, exhibiting a bimolecular rate constant comparable with vitamin C. These results suggest that trichochromes could serve a protective role in pheomelanin pigments.     

Scanning Tunneling Microscopy of Disperse Electrode Nanomaterials: Distortions and Correction of Images

Distortions of STM images of the surface of disperse nanomaterials, which are caused by the probe imperfection and an integral nature of the tunneling current, are analyzed. On the basis of a comparison with experimental data for a platinum colloid immobilized on a gold electrode, the problem of reliability of quantitative characteristics of the surface fragments determined from STM images is considered. Possible distortions for electrolytic platinum deposits, which are substantially more nonuniform systems, are estimated. Approaches and test systems intended for the evaluation of quality of STM probes are proposed.     

Microfluidic production of droplet pairs

We study a microfluidic dual nozzle for the production of water-in-oil droplet pairs. Droplets are paired by the hydrodynamic coupling of two nozzles over a wide range of aqueous and oil flow rates provided that they are larger than the channel dimensions. The droplet production frequencies and volumes are related to the flow rates through a single, experimentally determined power-law. The data are in good agreement with a model based on a geometrical decomposition of the dual nozzle leading to a general equation of droplet frequencies as a function of the various flow rates.     

On characteristic points of the plasticization function of biopolymers

Characteristic points of the plasticization function (temperatures and concentrations) are determined in ranges from the offset of the Zhurkov plasticization mechanism to the UCST of a plasticizer-polymer system and from the LCST of the plasticizer-polymer system to the point of the plasticizer freezing out from a biopolymer. Expressions for the correcting parameter of the Gordon-Taylor equation in these ranges which are related to characteristic temperatures and concentrations are obtained. Simplified expressions for characteristic concentrations are found.     

Possibilities of formation or modification of polymers by means of chemical reactions during processing (polymer processing)

The trends for polymeric engineering materials are marked by the search for defined thermomechanical, plastic-elastic stability of dimension, and surface properties. This trend is caused by the demands for higher usage values of the polymers and more efficient processing technologies. The greatest chances are granted to the chemical modification and reactive compounding of known polymers to reach the aims of this development. Thermodynamically, most of the polymers are incompatible with each other and no sufficient disperse distribution is reached by only physical mixing. During the last 10 years a good compatibility at the interfaces has been found as one supposition and the influence of the viscosity of the polymer components and of the shear rate in the mixing machine as a further supposition to reach a fine-dispersed distribution. Polymer composites with fibres and fillers are a further importent group of materials. The properties of composites are also determined by the interactions in the interfaces, by the dispersity of the fibres and fillers, and by the physical properties of the interfaces. Polymer-analogous reactions, polymer blends, and polymer composites with and without low molecular reactants in the melt are decisively influenced by the parameters of the compounding machine. The quality of mixing, distribution of the residence time and of the shear rate, and the temperature profile of the reaction mixture are essential criterions for the course of the reaction. Continuous and quasi continuous technologies as, e. g., extruders and internal mixers are preferred. The lecture will deal with the present state and technical possibilities. Polymer syntheses in screw extruders are a new trend for the future. All these possibilities offer prospective chances of development.