Estudio estructural del MoO3 y sus planos cristalinos

In the present work we present geometric models of the most studied MoO3 surfaces, which were obtained using the DTMM 2.0 Molecular Modeller software. MoO3 has an orthorhombic layered structure, with each layer comprised of two interleaved planes of MoO6 octahedral. These layers are parallel to the (010) crystal plane and only oxygen ions are exposed on their surfaces. This situation results in weak van der Waals bonding between layers and in a relatively inert surface. In our approach to surface geometric structure we consider "ideal" crystal surface, in which the bulk atomic arrangement is maintained. These surfaces were generated by imaginary cleavage along appropriate planes in the bulk crystal structure.

Preparação de nanocompósitos através do encapsulamento de polímeros condutores em 2H-MoS2 e 1T-TiS2

Nanocomposites obtained by the encapsulation of conducting polymers such as polyaniline and polydiphenylamine in 2H-MoS2 and 1T-TiS2 are synthesized and characterized by X-ray diffraction and infrared spectrophotometry. The synthesis consists in intercalating the layered compound with n-butyllithium and subsequent exfoliation in water and organic solvents. The nanocomposites are obtained by the adsorption of the polymers into the single-layers sulfides and posterior restacking. The X-ray diffraction measurements showed that the organic conducting polymers are encapsulated in mono and bilayers arrangement in a well-ordered fashion to produce single phase compounds.

Cristais Líquidos Ferroelétricos - CLF. Uma abordagem sintética

Synthetic methods used for the synthesis of the Ferroelectric Liquid Crystals (FLCs) will be considered with emphasis on the chiral synthesis methodologies and mesomorphic electrooptical properties.

Obtenção e caracterização de blendas colágeno-quitosana

Biodegradable polymer blends were obtained using collagen and chitosan. Membranes of collagen and chitosan in different proportions (3:1, 1:1 and 1:3) were prepared by mixing their acetate solutions (pH 3.5) at room temperature. The blends were characterized by differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), Fourier Transform infrared (FTIR) spectroscopy, specific viscosity, water absorption and stress-strain assays. The results showed that chitosan did not interfere in the structural arrangement of the collagen triple helix and the properties of the blends can be controlled by varing the proportion of the collagen and the chitosan.

Inbreeding and thermal adaptation in Drosophila subobscura

Using a well-adapted Drosophila subobscura population (Avala, Serbia), a drastic experiment of inbreeding was carried out to assess whether the expected level of homozygosity could be reached or if other evolutionary forces affected the process. In general, no significant changes of inversion (or arrangement) frequencies were detected after 12 brother sister mating generations. Furthermore, no significant differences were obtained between observed and expected (under the inbreeding model) karyotypic frequencies. Thus, these results seemed to indicate that the main evolutionary factor in the experiment was inbreeding. However, in the G12 generation, complete chromosomal fixation was reached only in two out of the eight final inbred lines. In these lines, the chromosomal compositions were difficult to interpret, but they could be likely a consequence of adaptation to particular laboratory conditions (constant 18 °C, food, light period, etc.). Finally, in a second experiment, the inbred lines presented higher fertility at 18 °C than at 13 °C. Also, there was a significant line effect on fertility: inbred line number 6 (A1, J1, U1+2; U1+2+6, E8, and O3+4+7) presented the highest values, which maybe the result of an adaptation to laboratory conditions. Thus, the results obtained in our experiments reflect the adaptive potential of D. subobscura inversions.

Heat Transfer in Plate Heat Exchangers

This study illustrates the different types of plate heat exchangers that are commonly used in various domestic and industrial applications. The main purpose of this paper was to devise a methodology that is capable of calculating optimum number of plates in the design of a plate heat exchanger. To obtain the appropriate number of plates, typically several iterations must be made before a final acceptable design is completed, since plate amount depends on many factors such as, flow velocities, physical properties of the streams, flow channel geometry, allowable pressure drop, plate dimensions, and the gap between the plates. The methodology presented here can be used as a general guide for designing a plate heat exchanger. To investigate the effects of relevant parameters on the thermal-hydraulic design of a plate heat exchanger, several experiments were carried out for single-phase and counter flow arrangement with two brazed plate heat exchangers by varying the flow rates and the inlet temperatures of the fluid streams. The actual heat transfer coefficients obtained based on the experiment were nearly close to the calculated values and to improve the design, a correction factor was introduced. Besides, the effect of flow channel velocity on the pressure drop inside the unit is presented.

Managerial Careers in the IT Industry: Women in China and in Finland

This research focuses on the career experiences of women managers in the IT industry in China and Finland, two countries with different cultures, policies, size of population, and social and economic structures regarding work-life support and equal opportunities. The object of this research is to present a cross-cultural comparison of women’s career experiences and how women themselves understand and account for their careers. The study explores how the macro and the micro levels of cultural and social processes become manifested in the lives of individual women. The main argument in this thesis is that culture plays a crucial role in making sense of women’s career experiences, although its role should be understood through its interrelationship with other social processes, e.g., institutional relations, social policies, industrial structures and organizations, as well as globalization. The interrelationship of a series of cultural and social processes affects individuals’ attitudes to, and arrangement and organization of, their work and family lives. This thesis consists of two parts. The first part introduces the research topic and discusses the overall results. The second part comprises five research papers. The main research question of the study is: How do cultural and social processes affect the experiences of women managers? Quantitative and qualitative research methods, which include in-depth interviews, Q-methodology, interpretive analysis, and questionnaires, are used in the study. The main theoretical background is culturally sensitive career theory and the theory of individual differences. The results of this study are viewed through a feminist lens. The research methodology applied allows new explorations on how demographic factors, work experiences, lifestyle issues, and organizational cultures can jointly affect women’s managerial careers. The sample group used in the research is 42 women managers working in IT companies in China (21) and Finland (21). The results of the study illustrate the impact of history, tradition, culture, institutional relations, social politics, industry and organizations, and globalization on the careers of women managers. It is claimed that the role of culture – cultural norms within nations and organizations – is of great importance in the relationship of gender and work. Women’s managerial careers are affected by multiple factors (personal, social and cultural) reflecting national and inter-individual differences. The results of the study contribute to research on careers, adding particularly to the literature on gender, work and culture, and offering a complex and holistic perspective for a richer understanding of pluralism and global diversity. The results of the study indicate how old and new career perspectives are evidenced in women managers in the IT industry. The research further contributes to an understanding of women’s managerial careers from a cross-culture perspective. In addition, the study contributes to the literature on culture and extends understanding of Hofstede’s work. Further, most traditional career theories do not perceive the importance of culture in determining an individual’s career experience and this study richens understanding of women managers’ careers and has considerable implications for international human resource management. The results of this study emphasize the need, when discussing women managers’ careers, to understand the ways by which gendering is produced rather than merely examining gender differences. It is argued that the meaning of self-knowledge is critical. Further, the environment where the careers under study develop differs greatly; China and Finland are very different – culturally, historically and socially. The findings of this study should, therefore, be understood as a holistic, specific, and contextually-bound.

Alternative Energy Conversion Systems for a Micro Scale Wind Turbine

This Master's thesis deals with a Micro Scale Wind Wind Turbine application. The thesis consists of nine chapters. The first chapter is an introduction to the philosophy of a small scale wind turbine application. The second defines concepts, and lists the requirements. The third presents the whole application for an On-Grid , and for an Off-Grid arrangement, with main concentration on lighting, heating, and energy storage. The fourth deals with the Inverter's technology, which are used for the conversion of the produced power. The fifth chapter presents the available storage technology and it's possibilities. The sixth deals with the system, and the technological means used for the implementation. The seventh presents the PLC device, which was used as the controller for the management of the whole application. The eighth deals with the concept and the control application philosophy that the PLC involves. And the final chapter presents conclusions and ideas for further considerations.

Intercalação e funcionalização da brucita com ácidos carboxílicos

Brucite (Mg(OH)2) is a structural model of several natural layered minerals as well as of synthetic layered double hydroxides (LDH). Exchange reaction studies of these compounds are well documented in the literature but surface chemical modifications, especially for brucite, are quite rare. We report the behaviour of brucite in reaction with succinic and benzoic acid in different solvents and temperatures. The compounds were analysed through X-ray diffraction (XRD) and infrared spectroscopy (FTIR). The surfaces of brucite crystals were grafted producing expansions, attributed to the arrangement of the grafted species between the layers.

Structure and dynamics of the membrane attaching nitric oxide transporter nitrophorin 7

Nitrophorins represent a unique class of heme proteins that are able to perform the delicate transportation and release of the free-radical gaseous messenger nitric oxide (NO) in a pH-triggered manner. Besides its ability to bind to phospholipid membranes, the N-terminus contains an additional Leu-Pro-Gly stretch, which is a unique sequence trait, and the heme cavity is significantly altered with respect to other nitrophorins. These distinctive features encouraged us to solve the X-ray crystallographic structures of NP7 at low and high pH and bound with different heme ligands (nitric oxide, histamine, imidazole). The overall fold of the lipocalin motif is well preserved in the different X-ray structures and resembles the fold of other nitrophorins. However, a chain-like arrangement in the crystal lattice due to a number of head-to-tail electrostatic stabilizing interactions is found in NP7. Furthermore, the X-ray structures also reveal ligand-dependent changes in the orientation of the heme, as well as in specific interactions between the A-B and G-H loops, which are considered to be relevant for the biological function of nitrophorins. Fast and ultrafast laser triggered ligand rebinding experiments demonstrate the pH-dependent ligand migration within the cavities and the exit route. Finally, the topological distribution of pockets located around the heme as well as from inner cavities present at the rear of the protein provides a distinctive feature in NP7, so that while a loop gated exit mechanism to the solvent has been proposed for most nitrophorins, a more complex mechanism that involves several interconnected gas hosting cavities is proposed for NP7.

The maximum voltage drop in an on-chip power distribution network: analysis of square, triangular and hexagonal power pad arrangements

A mathematical model of the voltage drop which arises in on-chip power distribution networks is used to compare the maximum voltage drop in the case of different geometric arrangements of the pads supplying power to the chip. These include the square or Manhattan power pad arrangement, which currently predominates, as well as equilateral triangular and hexagonal arrangements. In agreement with the findings in the literature and with physical and SPICE models, the equilateral triangular power pad arrangement is found to minimize the maximum voltage drop. This headline finding is a consequence of relatively simple formulas for the voltage drop, with explicit error bounds, which are established using complex analysis techniques, and elliptic functions in particular.

Water circulations for effective bleaching of high-brightness mechanical pulps

The amount of water available is usually restricted, which leads to a situation where a complete understanding of the process, including water circulations and the influence of water components, is essential. The main aim of this thesis was to clarify the possibilities for the efficient use of residual peroxide by means of water circulation rearrangements. Rearranging water circulations and the reduction of water usage may cause new problems, such as metal induced peroxide decomposition that needs to be addressed. This thesis introduces theoretical methods of water circulations to combine two variables; effective utilization of residual peroxide and avoiding manganese in the alkaline peroxide bleaching stage. Results are mainly based on laboratory and mill site experiments concerning the utilization of residual peroxide. A simulation model (BALAS) was used to evaluate the manganese contents and residual peroxide doses. It was shown that with optimum recirculation of residual peroxide the brightness can be improved or chemical costs can be decreased. From the scientific perspective, it was also very important to discover that recycled peroxide was more effective pre-bleaching agent compared to fresh peroxide. This can be due to the organic acids i.e. per acetic acid in wash press filtrate that have been formed in alkaline bleaching stage. Even short retention time was adequate and the activation of residual peroxide using sodium hydroxide was not necessary. There are several possibilities for using residual peroxide in practice regarding bleaching. A typical modern mechanical pulping process line consist of defibering, screening, a disc filter, a bleach press, high consistency (HC) peroxide bleaching and a wash press. Furthermore there usually is not a particular medium consistency (MC) pre-bleaching stage that includes additional thickening equipment. The most advisable way to utilize residual peroxide in this kind of process is to recycle the wash press filtrate to the dilution of disc filter pulp (low MC pre-bleaching stage). An arrangement such as this would be beneficial in terms of the reduced convection of manganese to the alkaline bleaching stage. Manganese originates from wood material and will be removed to the water phase already in the early stages of the process. Recycling residual peroxide prior to the disc filter is not recommended because of low consistencies. Regarding water circulations, the novel point of view is that, it would be beneficial to divide water circulations into two sections and the critical location for the division is the disc filter. Both of these two sections have their own priority. Section one before the disc filter: manganese removal. Section two after the disc filter: brightening of pulp. This division can be carried out if the disc filter pulp is diluted only by wash press filtrate before the MC storage tower. The situation is even better if there is an additional press after the disc filter, which will improve the consistency of the pulp. This has a significant effect on the peroxide concentration in the MC pre-bleaching stage. In terms of manganese content, it is essential to avoid the use of disc filter filtrate in the bleach press and wash press showers. An additional cut-off press would also be beneficial for manganese removal. As a combination of higher initial brightness and lower manganese content, the typical brightness increase varies between approximately 0.5 and 1% ISO units after the alkaline peroxide bleaching stage. This improvement does not seem to be remarkable, but as it is generally known, the final brightness unit is the most expensive and difficult to achieve. The estimation of cost savings is not unambiguous. For example in GW/TMP mill case 0.6% ISO units higher final brightness gave 10% savings in the costs of bleaching chemicals. With an hypothetical 200 000 ton annual production, this means that the mill could save in the costs of bleaching chemicals more than 400 000 euros per year. In general, it can be said that there were no differences between the behavior of different types of processes (GW, PGW, TMP and BCTMP). The enhancement of recycling gave a similar response in all cases. However, we have to remember that the utilization of residual peroxide in older mills depends a great deal on the process equipment, the amount of water available and existing pipeline connections. In summary, it can be said that processes are individual and the same solutions cannot be applied to all cases.

Hybrid LC Filter for Power Electronic Drives: Theory and Implementation

Power electronic converter drives use, for the sake of high efficiency, pulse-width modulation that results in sequences of high-voltage high-frequency steep-edged pulses. Such a signal contains a set of high harmonics not required for control purposes. Harmonics cause reflections in the cable between the motor and the inverter leading to faster winding insulation ageing. Bearing failures and problems with electromagnetic compatibility may also result. Electrical du/dt filters provide an effective solution to problems caused by pulse-width modulation, thereby increasing the performance and service life of the electrical machines. It is shown that RLC filters effectively decrease the reflection phenomena in the cable. Improved (simple, but effective) solutions are found for both differential- and common-mode signals; these solutions use a galvanic connection between the RLC filter star point and the converter DC link. Foil chokes and film capacitors are among the most widely used components in high-power applications. In actual applications they can be placed in different parts of the cabinet. This fact complicates the arrangement of the cabinet and decreases the reliability of the system. In addition, the inductances of connection wires may prevent filtration at high frequencies. This thesis introduces a new hybrid LC filter that uses a natural capacitance between the turns of the foil choke based on integration of an auxiliary layer into it. The main idea of the hybrid LC filter results from the fact that both the foil choke and the film capacitors have the same roll structure. Moreover, the capacitance between the turns (“intra capacitance”) of the foil inductors is the reason for the deterioration of their properties at high frequencies. It is shown that the proposed filter has a natural cancellation of the intra capacitance. A hybrid LC filter may contain two or more foil layers isolated from each other and coiled on a core. The core material can be iron or even air as in the filter considered in this work. One of the foils, called the main foil, can be placed between the inverter and the motor cable. Other ones, called auxiliary foils, may be connected in star to create differential-mode noise paths, and then coupled to the DC link midpoint to guarantee a traveling path, especially for the common-mode currents. This way, there is a remarkable capacitance between the main foil and the auxiliary foil. Investigations showed that such a system can be described by a simple equivalent LC filter in a wide range of frequencies. Because of its simple hybrid construction, the proposed LC filter can be a cost-effective and competitive solution for modern power drives. In the thesis, the application field of the proposed filter is considered and determined. The basics of hybrid LC filter design are developed further. High-frequency behaviour of the proposed filter is analysed by simulations. Finally, the thesis presents experimental data proving that the hybrid LC filter can be used for du/dt of PWM pulses and reduction of common-mode currents.

Determinação experimental dos raios cristalográficos dos íons sódio e cloreto

This experiment, where very common materials and equipments are used, conducts to good and interesting results related to the ionic radii of sodium and chloride ions. It also offers an excellent opportunity to discuss the crystalline arrangement of solids and to apply simple mathematical tools for calculations. Other important concepts such as density, solubility and saturated solution are also used. The simplicity of the experiment creates an excellent opportunity for reasoning with the students about the technique.

Desenvolvimento de sistemas líquido-cristalinos empregando silicone fluido de co-polímero glicol e poliéter funcional siloxano

For the construction of the phase diagrams, the method of the aqueous titration was used. There were prepared 5 ternary diagrams, varying the surfactant and the oil phase. The liquid-crystalline phases were identified by polarized light microscopy. The formulations prepared with silicon glycol copolymer, polyether functional siloxane (PFS) and water (S1) and with diisopropyl adipate, PFS and water (S4) presented liquid-crystalline phases with lamellar arrangement. Moreover, after 15 days in hot oven (37 ºC), the formulations presented hexagonal arrangement, evidencing the influence of the temperature in the organization of the system.