Impurity optimized silicon is needed for the advancement of terrestrial photovoltaic power generation. In this study the possibility of producing solar grade silicon from rice husks has been pursued. An integrated process flowsheet was developed and practiced that included initial leaching, reduction of Rice husk ash (RHA) and post-reduction purification of silicon. Metallothermic reduction of purified RHA with magnesium was investigated within the temperature range of 500-950 oC. The reduction product was purified by two stage acid leaching sequence. Analysis of the final silicon powder product by XRD and ICP-OES showed crystalline silicon with boron content to be less than 3ppm- corresponding to reduction by a factor greater than 10, whilst the phosphorus content was reduced by a factor of over 20 and reaching less than 73ppm. The effects of temperature, magnesium amount and leaching agents were optimized in this study. A one step test melting was also carried out to convert the silicon powder into silicon chunks.

We pursue topics in optics that follow three major themes; time averaged dynamics with the associated Effective Hamiltonian theory, quantification and transformation of polarization, and periodicity within quantum circuits. Within the first theme, we develop a technique for finding the dynamical evolution in time of a time averaged density matrix. The result is an equation of evolution that includes an Effective Hamiltonian, as well as decoherence terms that sometimes manifest in a Lindblad-like form. We also apply the theory to examples of the AC Stark Shift and Three-Level Raman Transitions. In the theme of polarization, the most general physical transformation on the polarization state has been represented as an ensemble of Jones matrix transformations, equivalent to a completely positive map on the polarization matrix. This has been directly assumed without proof by most authors. We follow a novel approach to derive this expression from simple physical principles, basic coherence optics and the matrix theory of positive maps. Addressing polarization measurement, we first establish the equivalence of classical polarization and quantum purity, which leads to the identical structure of the Poincar\' and Bloch spheres. We analyze and compare various measures of polarization / purity for general dimensionality proposed in the literature, with a focus on the three dimensional case. % entanglement? In pursuit of the final theme of periodic quantum circuits, we introduce a procedure that synthesizes the circuit for the simplest periodic function that is one-to-one within a single period, of a given period p. Applying this procedure, we synthesize these circuits for p up to five bits. We conjecture that such a circuit will need at most n Toffoli gates, where p is an n-bit number. Moreover, we apply our circuit synthesis to compiled versions of Shor's algorithm, showing that it can create more efficient circuits than ones previously proposed. We provide some new compiled circuits for experimentalists to use in the near future. A layer of "classical compilation" is pointed out as a method to further simplify circuits. Periodic and compiled circuits should be helpful for creating experimental milestones, and for the purposes of validation.

We pursue topics in optics that follow three major themes; time averaged dynamics with the associated Effective Hamiltonian theory, quantification and transformation of polarization, and periodicity within quantum circuits. Within the first theme, we develop a technique for finding the dynamical evolution in time of a time averaged density matrix. The result is an equation of evolution that includes an Effective Hamiltonian, as well as decoherence terms that sometimes manifest in a Lindblad-like form. We also apply the theory to examples of the AC Stark Shift and Three-Level Raman Transitions. In the theme of polarization, the most general physical transformation on the polarization state has been represented as an ensemble of Jones matrix transformations, equivalent to a completely positive map on the polarization matrix. This has been directly assumed without proof by most authors. We follow a novel approach to derive this expression from simple physical principles, basic coherence optics and the matrix theory of positive maps. Addressing polarization measurement, we first establish the equivalence of classical polarization and quantum purity, which leads to the identical structure of the Poincar\' and Bloch spheres. We analyze and compare various measures of polarization / purity for general dimensionality proposed in the literature, with a focus on the three dimensional case. % entanglement? In pursuit of the final theme of periodic quantum circuits, we introduce a procedure that synthesizes the circuit for the simplest periodic function that is one-to-one within a single period, of a given period p. Applying this procedure, we synthesize these circuits for p up to five bits. We conjecture that such a circuit will need at most n Toffoli gates, where p is an n-bit number. Moreover, we apply our circuit synthesis to compiled versions of Shor's algorithm, showing that it can create more efficient circuits than ones previously proposed. We provide some new compiled circuits for experimentalists to use in the near future. A layer of "classical compilation" is pointed out as a method to further simplify circuits. Periodic and compiled circuits should be helpful for creating experimental milestones, and for the purposes of validation.

Submitted by Johnny Rodrigues (johnnyrodrigues@ufcg.edu.br) on 2018-03-12T16:25:13Z No. of bitstreams: 1 ARIOSTON ARAÚJO DE MORAIS JÚNIOR - TESE PPGEQ 2015..pdf: 4075446 bytes, checksum: 58c7745e3f0cf289b5f5d0a0a774ed88 (MD5) / Made available in DSpace on 2018-03-12T16:25:13Z (GMT). No. of bitstreams: 1 ARIOSTON ARAÚJO DE MORAIS JÚNIOR - TESE PPGEQ 2015..pdf: 4075446 bytes, checksum: 58c7745e3f0cf289b5f5d0a0a774ed88 (MD5) Previous issue date: 2015-11-06 / Neste trabalho é proposta uma metodologia para construção de sensores virtuais implementados em software, com objetivo de estimar e prever o comportamento de impurezas na corrente de base de uma coluna de destilação de alta pureza, do processo produtivo do 1,2 Dicloroetano (C2H4Cl2). A aquisição dos dados utilizados na construção dos sensores virtuais foi realizada através do modelo matemático do processo, simulado com dados reais de uma planta industrial. O estudo específico engloba a modelagem matemática/termodinâmica e avaliação do comportamento estacionário e dinâmico dessa torre, simulada aqui no software Aspen Plus e DynamicsTM. Desse modo, o modelo fornece os dados necessários para inferência das impurezas relacionadas, que são os teores dos compostos tetracloreto de carbono (CCl4) e clorofórmio (CHCl3), ambos devem ser mantidos, respectivamente, em valores ≤3000 e ≤400 ppm (partes por milhão). A metodologia também aborda dois algoritmos de seleção de variáveis secundárias, que utilizam técnicas estatísticas multivariadas (algoritmo de todas as regressões possíveis-TRP e da análise de componentes principais-PCA). Verifica-se também nos dados gerados quanto a real ou não necessidade de remoção de erros grosseiros (outliers), por isso é também inserida na metodologia uma etapa de pré-processamento de dados. Foram selecionados os dez melhores modelos de inferência para cada uma das saídas. Diante dessa informação, os melhores modelos produzidos não utilizavam as concentrações dos compostos das correntes de alimentação e sim medições de temperaturas ao longo da torre. Uma importante conclusão do ponto de vista de construção de sensores virtuais, porque na maioria dos trabalhos desenvolvidos essas variáveis são cruciais na produção de bons resultados. O treinamento dos sensores virtuais foi efetuado em um ambiente ruidoso, haja vista que foram simulados ruídos inerentes às medições (ruídos brancos Gaussianos). Na etapa final, os sensores virtuais são construídos utilizando uma técnica de modelagem empírica, redes neurais artificiais (RNA), onde foram utilizadas RNA do tipo Perceptron Multicamadas (MLP). Foram também avaliadas diversas variações quanto ao número de neurônios e camadas ocultas das RNA, empregando como critério de parada a técnica de validação cruzada. Os sensores virtuais desenvolvidos apresentaram erros satisfatórios do ponto de vista de engenharia, uma boa análise de regressão e um bom erro médio quadrático. Logo, com essas estimativas espera-se a minimização e a previsão do comportamento transiente dos compostos no referido processo. / This work proposes a methodology for software implementation to make soft sensors. The goal is to estimate and predict the behavior of impurities in the bottom current of a highpurity distillation column, for 1,2-Dichloroethane or 1,2-DCE (C2H4Cl2) production. The data acquisition used in the construction of soft sensors was performed through a mathematical simulation of the process, with real industrial data taken from an industrial plant. A specific study involves the mathematical modeling, thermodynamics, evaluation of the steady state and the dynamic behavior of this process, simulated here in Aspen Plus and Aspen DynamicsTM software. Thus, the model provides the necessary data to infer the contents of the carbon impurities mentioned above, Tetrachloride (CCl4) and Chloroform (CHCl3), which are to be fixed approximately below 3000 and 400 ppm (parts per million) respectively. The methodology also covers selection algorithms of secondary variables, using multivariate statistical techniques: All Possible Regressions (TRP) and Principal Component Analysis (PCA). The data generated was checked in order to know whether to include or not a step for removal of outliers, so it was also included in the methodology one preprocessing data step. The ten best inference models were selected for each output concentration. With this information, these models do not use concentrations measurements in the feed streams but measurements of the temperature along the column. This is an important conclusion from the point of view of virtual sensors building, because in most of the literature reported these variables are crucial in getting good results. The training of soft sensors was done in a noisy environment, considering that simulated noise was inherent to measurements (Gaussian noise). In the final step, the soft sensors devices are constructed using an empirical modeling technique of artificial neural networks (ANN), which were generated ANN type Multilayer Perceptron (MLP). Several variations were also evaluated on the number of neurons and hidden layers of networks, employing as a stopping criterion the cross-validation technique. The developed soft sensors presented satisfactory errors from the engineering viewpoint, a good regression and a good mean square error. Finally, with these estimations it is expected to minimize and predict the transient behavior of the compounds in the referred process.

Made available in DSpace on 2015-05-14T12:59:32Z (GMT). No. of bitstreams: 1 arquivototal.pdf: 3288068 bytes, checksum: 0a30af77d23fdb0cbfe338a83f189634 (MD5) Previous issue date: 2012-02-10 / Coordenação de Aperfeiçoamento de Pessoal de Nível Superior - CAPES / Population´s commonsense regards crack cocaine as an impure byproduct of cocaine. In Brazil, the cocaine levels in crack samples or the profiling of its adulterants is not a mandatory analysis of official forensic laboratories. The state of Paraiba has shown a marked increase in the number of analyses done on crack cocaine samples seized by the police forces between 2007 and 2010, rising from 250 to 575 analyses. On the other hand, there is no literature data on the concentration of cocaine on these samples. The present study aimed at developing and validating a method based on quantitative hydrogen nuclear magnetic resonance spectroscopy (1H-qNMR) to determine cocaine in crack cocaine samples seized within the state of Paraiba. 1H-qNMR is a primary analytical method and can become accurate and precise when certain acquisition and processing parameters are properly set. The 1H-qNMR method was compared to a high performance liquid chromatography method with photodiode array detection (HPLC-PDA). The results from both methods allowed us to determine that the average concentration of cocaine in the samples was higher than 70%. The average concentration determined by the 1H-qNMR method was 71.9%, with samples ranging from 5.2 to 89.1%. The results from the HPLC-PDA method were slightly higher, with an average figure of 74.4% and samples ranging from 4.9 to 93.8%. The best correlation between HPLC-PDA and 1H-qNMR data was obtained when integration from region 7 of the spectrum was used (singlet signal at 3.6 ppm from the methyl protons of the ester function) yielding a Pearson´s correlation coefficient of 0.83. Precision and accuracy of the 1H-qNMR method was sensitive to several acquisition and processing parameters that need to be optimized. The HPLC-PDA method developed proved to be fast, accurate and precise for the quantification of cocaine in 47 samples of seized crack cocaine. In addition, the analysis of crack cocaine samples by gas chromatography coupled to mass spectrometry (GC/MS) revealed that the main adulterant present in the samples was phenacetin, a result that was confirmed by the 1H-NMR data. / O senso comum da população tem o crack como um subproduto impuro da cocaína. No Brasil, a análise do teor de cocaína em amostras de crack ou a pesquisa de adulterantes adicionados não constitui rotina nos laboratórios oficiais das perícias forenses. O estado da Paraíba apresentou um crescente número de análises em amostras de crack apreendidas pelas forças policiais entre os anos de 2007 e 2010, passando de 250 para 575 exames. Por outro lado, não existem na literatura dados sobre o teor de cocaína nestas amostras. O presente trabalho teve como objetivo desenvolver uma metodologia baseada no uso da espectroscopia de ressonância magnética nuclear quantitativa de hidrogênio (RMNq-1H) para avaliar o grau de pureza de amostras de crack apreendidas no estado da Paraíba. A RMNq-1H é um método analítico primário e pode tornar-se exata e precisa quando satisfeitos parâmetros de aquisição e processamento dos dados. O método de RMNq-1H foi comparado à metodologia desenvolvida e validada baseada em cromatografia líquida de alta eficiência acoplada a detector de arranjo de diodos (CLAE-DAD). Os resultados das duas metodologias permitiram determinar que o teor médio de cocaína nas amostras foi superior a 70%. O teor médio de cocaína determinado pelo método de RMNq-1H foi de 71,9%, com amostras variando entre 5,2 a 89,1%. Os resultados do método de CLAE-DAD foram ligeiramente superiores, onde o teor médio de todas as amostras foi de 74,4%, com amostras variando entre 4,9 e 93,8% de cocaína. A melhor correlação obtida entre os resultados de CLAE-DAD e RMNq-1H foi aquela que utilizou a região 7 (singleto em 3,6 ppm correspondente a metila da função éster), com coeficiente de correlação de Pearson de 0,83. A precisão e exatidão da RMNq-1H mostrou-se sujeita a diversos parâmetros de aquisição que precisam ser otimizados. Por sua vez a metodologia por CLAE-DAD mostrou-se rápida, exata e precisa para quantificação de cocaína em 47 amostras de crack analisadas. Além disso, as amostras foram submetidas a análise por cromatografia a gás acoplada a espectrometria de massas (CG/EM), mostrando que o principal adulterante nas amostras foi a fenacetina, dado confirmado por RMN-1H.

Fosfor är ett nödvändigt näringsämne inom jordbruket, trots detta är vi på väg att använda upp den fosfor vi har tillgång till i marken. Denna studie har därför valt att fokusera på en stor källa till fosfor som inte tas till vara på i många av dagens samhällen: mänsklig avföring. Många samhällen har genom historien använt mänsklig avföring som en resurs, bland annat som gödsel vid matodling, vilket återför en stor del av fosforn till marken. I dagens samhällen ses mänsklig avföring som någonting oönskat och äckligt. Vad är det som skapat denna ovilja att använda denna källa till fosfor? Varför slutade samhällen använda mänsklig avföring som gödsel vid matodling? Syftet med denna studie är att belysa de anledningar som ligger bakom att människor slutar att använda mänsklig avföring vid odling av mat. En tematisk analys, och utvalda delar av en komparativ analys, har använts för att analysera lämpligt publicerat material. Denna analys har skapat resultatet som sedan har ställts mot studiens teoretiska ramverk vilket inkluderar: människans syn på sin egen avföring, smuts och renhet, och mänsklig avföring som resurs. Studiens resultat tyder på att det främst är en accelererad urbanisering och en modernisering av samhället som leder till att människor slutar att använda mänsklig avföring som gödsel inom matodling. Människans syn på renhet ställs mot synen av mänsklig avföring som en resurs. Valet att använda mänsklig avföring eller ej styrs av den kulturella uppfattningen om vad som är rent och smutsigt. När de negativa associationerna kring mänsklig avföring överväger de positiva så leder det till att människor tar avstånd från mänsklig avföring trots att exkrementer fortfarande skulle kunna användas som en resurs. / Phosphorus is an essential nutrient in agriculture, despite this fact we are well on our way to using up the phosphorus we have access to in the ground. This study has therefore focused on a major source of phosphorus that is not taken into consideration in a vast majority of today’s societies: human excrement. Many countries have used human excreta as a resource throughout history, including as a fertilizer when producing food, which ensured that a major part of the phosphorus was returned to the soil. In societies today human excrement is viewed as something unwanted and disgusting. What is it that makes humans hesitant to use this source of phosphorus? Why did societies stop using human excrement as a fertilizer when growing food? The purpose of this study is to examine the underlying causes for why people stop using human excrement as a fertilizer when producing food. A thematic analysis, combined with selected parts of a comparative analysis, has been used to analyze apt publicized material. This analysis has resulted in the study’s result, which has then been pitted against the theoretical framework for this study. The theoretical framework includes: people’s view of their own excreta, dirt and cleanliness, and human excreta as a resource. The result suggests that it primarily is an increased urbanization and a modernization of society that leads people to stop using human excrement as a fertilizer when producing food. Human perception of purity is pitched against the view of human excrement as a resource. The choice of using human excrement or not is governed by the cultural perception of what is clean and what is dirty. When the negative associations connected to human excrement outweigh the positive, then humans distance themselves from it, even though the excrement could still be used as a resource.

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