Investigações dos sistemas binários LiF-BiF3 e NaF-BiF3 foram realizadas com o objetivo de esclarecer o comportamento térmico e os equilíbrios de fase destes sistemas e das suas fases intermediárias, um requisito importante para a obtenção de cristais de alta qualidade. Amostras de toda a faixa de composições (0 a 100 mol% BiF3) de ambos os sistemas foram analisadas em ensaios de análise térmica diferencial (DTA) e termogravimetria (TG), e também de calorimetria exploratória diferencial (DSC). Algumas composições específicas foram selecionadas para difração de raios-X para complementação dos dados experimentais. Devido à grande vulnerabilidade do BiF3 à contaminação por oxigênio, sua volatilidade e propensão a danificar peças de metal quando aquecido, foi necessário determinar as condições ótimas para os ensaios de análise térmica antes de investigar os sistemas em si. As relações de fase no sistema LiF-BiF3 foram completamente elucidadas e um diagrama de fases foi proposto e avaliado teoricamente mediante o software comercial Factsage. O diagrama em si consiste em um sistema peritético simples, no qual o único composto interno, o LiBiF4 se decompõe em LiF mais uma fase líquida. O sistema NaF-BiF3 não pôde ser completamente elucidado, sendo que as relações de fase do lado pobre em NaF (> 50% BiF3) ainda não são conhecidas. No lado rico em NaF, entretanto, identificou-se a possível decomposição peritectóide do composto NaBiF4. Em ambos os sistemas, foram observadas estruturas cristalográficas discrepantes daquelas da literatura para os compostos mistos, LiBiF4 , NaBiF4 e uma solução sólida de NaF e BiF3 chamada de fase I. As estruturas observadas experimentalmente permanecem desconhecidas e explicações para as discrepâncias foram propostas. / Investigations of the binary systems LiF-BiF3 and NaF-BiF3 were performed with the objective of clarifying the thermal behavior and phase equilibria of these systems and their intermediary phases, an important requisite for high-quality crystal growth. Several samples in the entire range of compositions (0 to 100 mol% BiF3) of both systems were subjected to experiments of differential thermal analysis (DTA) and thermogravimetry (TG), and also of differential scanning calorimetry (DSC). A few specific compositions were selected for X-ray diffraction to supplement the experimental data. Due to the high vulnerability of BiF3 to oxygen contamination, its volatility and propensity to destroy metal parts upon heating, it was necessary to determine the optimal conditions for thermal analysis before investigating the systems themselves. Phase relations in the system LiF-BiF3 were completely clarified and a phase diagram was calculated and evaluated via the commercial software Factsage. The diagram itself consists in a simple peritectic system in which the only intermediary compound, LiBiF4, decomposes into LiF and a liquid phase. The NaF-BiF3 system could not be completely elucidated and the phase relations in the NaF poor side (> 50% BiF3) are still unknown. In the NaF rich side, however, the possible peritectoid decomposition of the compound NaBiF4 was identified. In both systems X-ray diffraction yielded crystal structures discrepant with the literature for the intermediary phases, LiBiF4, NaBiF4 and a solid solution of NaF and BiF3 called I. The observed structures remain unknown and explanations for the discrepancies were proposed.

Os alginatos de metais alcalinos (Li+, Na+ e K+), alcalino-terrosos (Mg2+, Ca2+, Sr2+ e Ba2+), de amônio, mono-, di- e trietanolamônio foram sintetizados por neutralização do ácido algínico com os respectivos hidróxidos, ou carbonatos, e com as aminas. Os sais foram caracterizados por análise elementar e espectroscopia na região do infravermelho, confirmando as sínteses. Após caracterização, os compostos foram submetidos à análise térmica (TG/DTG, DTA e DSC) para avaliar seu comportamento térmico e seus resíduos de decomposição, que foram caracterizados por IR e XRD. Os alginatos de amônio e etanolamônio se decompuseram com liberação de amônia ao final do experimento. Os alginatos de metais alcalinos foram convertidos nos seus respectivos carbonatos, enquanto os alginatos de metais alcalino-terrosos se decompuseram formando carbonatos, em seguida óxidos. Foi feita uma avaliação de procedimentos de secagem por estufa a vácuo a 40 ºC e liofilização; e o último método mostrou-se mais eficaz. A água residual, não-congelável, sai associada à decomposição do material e não foi possível definir exatamente seu teor. Um método de medir o grau de substituição nos sais das aminas foi desenvolvido com base em 13C ? NMR em fase sólida. / The alkaline (Li+, Na+ and K+), earth-alkaline (Mg2+, Ca2+, Sr2+ and Ba2+), ammonium, mono-, di- and triethanolammonium alginic acid salts were obtained from the neutralization reaction between alginic acid and the respective hydroxides or carbonates, and the amines, The salts were characterized by elemental analysis and infrared spectroscopy, confirming the synthesis. After the characterization, the compounds were submitted to thermal analysis (TG/DTG, DTA and DSC), in order to evaluate their thermal behavior. The thermal decomposition residues were characterized by IR and/or XRD. The NH4+ and ethanolammonium alginates decomposed via NH3 release without residue in the crucible at the end of the experiment. The alkaline alginates were converted to the respective carbonates, and the earth-alkaline decomposed with production of the carbonates followed by convertion to the oxides. An evaluation of drying procedures involving heating under vaccum up to 40°C and lyophilization were performed, pointing better results in the last case. The residual water, of the non-freezing type, was completely released only during the decomposition of the biopolymer, and it was not possible to define its exact content in the samples. An attempt to estimate the substitution degree in the ethanolammonium salts using 13C ? NMR data, in solid state, was also described.

The kinetic study of thermal decomposition of compounds (A)-(E) had been examined. The thermal decomposition product of 1,1-dimethyl-5-(1-isobutenyl)-1-pyrazoline is 1,1-dimethyl5-(1-isobutenyl)cyclopropane, no hydrogen transfer or rearrangement was occured. The only isolated thermal decomposition product of 3-methyl-3,4-dicarboxylic anhydride-l-pyrazoline was dirnethylmaleic anhydride. Since carbon dioxide was found in the decomposition process and the amount of nitrogen gas and carbon dioxide was not the same, it indicated that the decarboxylation product was not come from the nitrogen freed anhydride product.Ball State UniversityMuncie, IN 47306

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The major contributions of this thesis are categorized into three areas: (i) magnetic modeling, (ii) optimal performance assessment and (iii) multi-objective design methodology of the linear permanent-magnet (LPM) and linear variable reluctance (LVR) motors for manufacturing automation applications. The target application is to perform repetitive point-to-point positioning tasks on a continuous basis under temperature constraints. Through simplification, the constraint on temperature rise may be replaced by a constraint on average power dissipation, provided that the thermal resistance is constant and known. The basic framework of analysis is first introduced for a class of idealized linear synchronous (LS) motors, where magnetic saturation and spatial harmonics are neglected, to provide clarity and insight. The physics-based force models for the LPM and LVR motors, including spatial harmonics and magnetic saturation as appropriate, are then developed. Due to magnetic linearity, the force model of the LPM motor is derived from the analytical solution of the Poisson Equation. A nonlinear magnetic circuit analysis model is developed for the LVR motor that includes both spatial harmonics and magnetic saturation. The accuracy of both force models are verified by finite element analysis. Applying those force models, the optimal performance assessment of the LPM and LVR motors is explored using the mathematical framework discussed for the idealized LS motors. In particular, the relationship between travel time and travel distance is characterized in terms of average power dissipation. The performance assessment methodologies developed here may be applied to any motor technology used in manufacturing automation applications. The multi-objective design optimization problem is then defined and software for its solution is developed using Monte-Carlo synthesis, the performance assessment tools and dominance-based sorting. Design results for the LPM and LVR motors are then presented. Future research is discussed as the conclusion of the thesis.

Thesis (M.S.)--Ohio University, August, 2009. / Title from PDF t.p. Includes bibliographical references.

This thesis details a three dimensional model for simulating the operation of two particular configurations of a lithium iron phosphate (LiFePO¬4) battery. Large-scale lithium iron phosphate batteries are becoming increasingly important in a world that demands portable energy that is high in both power and energy density, particularly for hybrid and electric vehicles. Understanding how batteries of this type operate is important for the design, optimization, and control of their performance, safety and durability. While 1D approximations may be sufficient for small scale or single cell batteries, these approximations are limited when scaled up to larger batteries, where significant three dimensional gradients might develop including lithium ion concentration, temperature, current density and voltage gradients. This model is able to account for all of these gradients in three dimensions by coupling an electrochemical model with a thermal model. This coupling shows how electrochemical performance affects temperature distribution and to a lesser extent how temperature affects electrochemical performance. This model is applicable to two battery configurations — spirally wound and prismatically wound. Results generated include temperature influences on current distribution and vice versa, an exploration of various cooling environments’ effects on performance, design optimization of current collector thickness and current collector tab placement, and an analysis of lithium plating risk. / text

Assessing hazards due to energetic or reactive chemicals is a challenging and complicated task and has received considerable attention from industry and regulatory bodies. Thermal analysis techniques, such as Differential Scanning Calorimeter (DSC), are commonly employed to evaluate reactivity hazards. A simple classification based on energy of reaction (-H), a thermodynamic parameter, and onset temperature (To), a kinetic parameter, is proposed with the aim of recognizing more hazardous compositions. The utility of other DSC parameters in predicting explosive properties is discussed. Calorimetric measurements to determine reactivity can be resource consuming, so computational methods to predict reactivity hazards present an attractive option. Molecular modeling techniques were employed to gain information at the molecular scale to predict calorimetric data. Molecular descriptors, calculated at density functional level of theory, were correlated with DSC data for mono nitro compounds applying Quantitative Structure Property Relationships (QSPR) and yielded reasonable predictions. Such correlations can be incorporated into a software program for apriori prediction of potential reactivity hazards. Estimations of potential hazards can greatly help to focus attention on more hazardous substances, such as hydroxylamine (HA), which was involved in two major industrial incidents in the past four years. A detailed discussion of HA investigation is presented.

Chip temperature is increasing with continued technology scaling due to increased power density and decreased device feature sizes. Since temperature has significant impact on performance and reliability, accurate thermal and circuit analysis are of great importance. Due to the shrinking device feature size, effects occurring at the nanometre scale, such as ballistic transport of energy carriers and electron tunneling, have become increasingly important and must be considered. However, many existing thermal and circuit analysis methods are not able to consider these effects efficiently, if at all. This thesis presents methods for accurate and efficient multi-scale thermal and circuit analysis. For circuit analysis, the simulation of single-electron device circuits is specifically studied. To target thermal analysis, in this work, ThermalScope, a multi-scale thermal analysis method for nanometre-scale IC design is developed. It unifies microscopic and macroscopic thermal physics modeling methods, i.e., the Boltzmann transport and Fourier modeling methods. Moreover, it supports adaptive multi-resolution modeling. Together, these ideas enable efficient and accurate characterization of nanometre-scale heat transport as well as chip-package level heat flow. ThermalScope is designed for full chip thermal analysis of billion-transistor nanometre-scale IC designs, with accuracy at the scale of individual devices. ThermalScope has been implemented in software and used for full chip thermal analysis and temperature-dependent leakage analysis of an IC design with more than 150 million transistors. To target circuit analysis, in this work, SEMSIM, a multi-scale single-electron device simulator is developed with an adaptive simulation technique based on the Monte Carlo method. This technique significantly improves the time efficiency while maintaining accuracy for single-electron device and circuit simulation. It is shown that it is possible to reduce simulation time up to nearly 40 times and maintain an average propagation delay error of under 5% compared to a non-adaptive Monte Carlo method. This simulator has been used to handle large circuit benchmarks with more than 6000 junctions, showing efficiency comparable to SPICE, with much better accuracy. In addition, the simulator can characterize important secondary effects including cotunneling and Cooper pair tunneling, which are critical for device research. / Thesis (Master, Electrical & Computer Engineering) -- Queen's University, 2008-09-26 13:33:12.389

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