Nessa pesquisa avaliou-se a produção fermentativa de hidrogênio e ácidos orgânicos a partir do bagaço de cana-de-açúcar (BCA) usado como substrato em reatores em batelada. Três condições de pré-tratamento (hidrotérmico, autoclave e hidrotérmico mais autoclave) do BCA e condição in natura foram avaliadas a fim de favorecer a produção de hidrogênio. Verificou-se produção molar de hidrogênio de 3,79 mmol/L, 3,47 mmol/L, 1,67 mmol/L e 1,01 mmol/L para BCA autoclavado, BCA in natura, BCA pré-tratado em sistema hidrotérmico e BCA pré-tratado em sistema hidrotérmico seguido de autoclave, respectivamente. A partir desses valores, optou-se por usar o BCA autoclavado como substrato para otimização da produção de hidrogênio e ácidos orgânicos a partir de metodologias de delineamento do composto central e superfície de resposta. Foram monitorados 10 reatores em batelada (R1 a R10), em triplicatas, com diferentes concentrações de substrato (0,8 a 9,2 g/L) e pH (de 4,6 a 7,4). A maior produção de hidrogênio (24,1 mmol/L) e 6,4 g/L de ácidos orgânicos foram obtidos em R4 (8,0 g BCA/L e pH 7,0). Os açúcares glicose, arabinose, xilose, manose e galactose foram observados ao longo do tempo de operação em todos os reatores, sendo arabinose observado em maior concentração nas condições dos reatores R3 (8,0 g BCA/L e pH 5,0) e R8 (5,0 g BCA/L e pH 7,4), respectivamente, 1.415,3 e 1.372,5 mg/L. A produção de hidrogênio foi concomitante à formação de ácidos orgânicos, principalmente butírico (de 14,6 a 33,8% em R1 e R6, respectivamente) e succínico (de 19,5 a 26,4% em R3 e R9, respectivamente). Os dois fatores analisados, concentração de substrato e pH, exerceram efeitos significativos na produção de hidrogênio, ácido butírico e succínico. A partir dos resultados obtidos com o planejamento fatorial, foi possível verificar que o valor máximo de produção de hidrogênio estimado pelo modelo foi de 23,10 mmol/L, para 7,0 g BCA/L e pH 7,2. O valor obtido no experimento de otimização (Rotm) foi de 19,84 mmol/L, com grau de precisão do modelo de 85,9% para produção de hidrogênio a partir de BCA autoclavado. Sequenciamento massivo via plataforma Illumina (Miseq) foi realizado para a identificação de bactérias do reator do ponto central, (R9, 5,0 g BCA/L e pH 6,0), do reator otimizado (Rotm, 7,0 g BCA/L e pH 7,2), de amostras do BCA autoclavado e inóculo. No inóculo foram identificadas principalmente bactérias semelhantes a Clostridium bifermentans (62,69% de abundância relativa), Bacillus coagulans (31,67%) e Enterobacter aerogenes (2,72%). No BCA foram identificadas bactérias semelhantes a C. bifermentans (31,91%), C. cellobioparum (32,29%), C. cellulolyticum (5,69%), C. sartagoforme (14,63%) e Paenibacillus spp. (11,67%). Estas bactérias não foram favorecidas sob as condições impostas em R9 (5,0 g BCA/L e pH 6,0) e Rotm (7,0 g BCA/L e pH 7,2), uma vez que a abundância relativa das bactérias nas amostras dos reatores foram completamente diferentes. Em R9, bactérias semelhantes a Lactobacillus paracasei e Escherichia hermannii foram as principais identificas com 37,50 e 34,32% de abundância relativa, respectivamente. Em Rotm, as principais bactérias identificadas foram semelhantes a Bacteroides sp. e Enterobacter aerogenes, com 37,35 e 27,72% de abundância relativa, respectivamente. Assim, as populações bacterianas, bem como a produção de metabólitos, foram alteradas em função das condições impostas; ou seja, concentração de BCA, pH em reatores em batelada com BCA autoclavado como substrato. / This study evaluated the hydrogen and organic acids fermentative productions from sugarcane bagasse (SCB) as substrate in batch reactors. Three pre-treatment conditions (hydrothermal, autoclave and hydrothermal plus autoclave) of BCA and the in natura condition were evaluated in order to favor the hydrogen production. Hydrogen molar productions of 3.79 mmol/L, 3.47 mmol/L, 1.67 mmol/L and 1.01 mmol/L was found for SCB pretreated in autoclave, BCA in natura, SCB pretreated in hydrothermal system and SCB pretreated in hydrothermal system followed by autoclaving, respectively. From these values, it was decided to use autoclaved BCA as a substrate for optimization of hydrogen and organic acids productions from the design methodologies of the central compound and response surface. Ten batch reactors (R1 to R10) were monitored in triplicates with different substrate concentrations (0.8 to 9.2 g/L) and pH (4.6 to 7.4). The highest production of hydrogen (24.06 mmol/L) and 6.42 g/L of organic acids were obtained in R4 (8.0 g BCA/L and pH 7.0). Glucose, arabinose, xylose, mannose and galactose were produced and consumed throughout the operating time of all reactors, and arabinose was observed at higher concentration, 1,415.26 and 1,372.45 mg/L in R3 (8.0 g BCA/L and pH 5.0) and R8 (5.0 g BCA/L and pH 7.4), respectively. The production of hydrogen was concomitant to the formation of organic acids, mainly butyric (from 14.6 to 33.8% in R1 and R6, respectively) and succinic (from 19.5 to 26.4% in R3 and R9, respectively). The two factors analyzed, substrate concentration and pH, had significant effects on the production of hydrogen, butyric acid and succinic acid. From the results obtained with the factorial design, it was possible to verify that the maximum value of hydrogen production estimated by the model was 23.10 mmol/L, to 7.0 g BCA L and pH 7.2. The value obtained in the optimization experiment (Rotm) was 19.84 mmol/L, with an accuracy of 85.9% for hydrogen production from autoclaved BCA. Sequencing by the Illumina platform (Miseq) was performed for the identification of bacteria from the central point reactor (R9, 5.0 g BCA/L and pH 6.0), optimized reactor (Rotm, 7.0 g BCA/L and pH 7.2), autoclaved BCA and inoculum samples. In the inoculum were identified mainly bacteria similar to Clostridium bifermentans (62,69% of relative abundance), Bacillus coagulans (31,67%) and Enterobacter aerogenes (2,72%). Bacteria similar to C. bifermentans (31.91%), C. cellobioparum (32.29%), C. cellulolyticum (5.69%), C. sartagoforme (14.63%) and Paenibacillus spp. (11.67%). These bacteria were not favored under the conditions imposed on R9 (5.0 g BCA/L and pH 6.0) and Rotm (7.0 g BCA/L and pH 7.2), since the relative abundance of the bacteria in the reactor samples were completely different. In R9, bacteria similar to Lactobacillus paracasei and Escherichia hermannii were the main identified with 37.50 and 34.32% of relative abundance, respectively. In Rotm, the main bacteria identified were similar to Bacteroides sp. and Enterobacter aerogenes, with 37.35 and 27.72% relative abundance, respectively. Thus, bacterial populations, as well as the production of metabolites, were altered as a function of the imposed conditions; ie, BCA concentration, pH in batch reactors with autoclaved BCA as substrate.

As a result of the increase in accessibility of computational resources and the increase in the power of the computers during the last two decades, designers are able to create computer models to simulate the behavior of a complex products. To address global competitiveness, companies are forced to optimize their designs and products. Optimizing the design needs several runs of computationally expensive simulation models. Therefore, using metamodels as an efficient and sufficiently accurate approximate of the simulation model is necessary. Radial basis functions (RBF) is one of the several metamodeling methods that can be found in the literature. The established approach is to add a bias to RBF in order to obtain a robust performance. The a posteriori bias is considered to be unknown at the beginning and it is defined by imposing extra orthogonality constraints. In this thesis, a new approach in constructing RBF with the bias to be set a priori by using the normal equation is proposed. The performance of the suggested approach is compared to the classic RBF with a posteriori bias. Another comprehensive comparison study by including several modeling criteria, such as problem dimension, sampling technique and size of samples is conducted. The studies demonstrate that the suggested approach with a priori bias is in general as good as the performance of RBF with a posteriori bias. Using the a priori RBF, it is clear that the global response is modeled with the bias and that the details are captured with radial basis functions. Multi-objective optimization and the approaches used in solving such problems are briefly described in this thesis. One of the methods that proved to be efficient in solving multi-objective optimization problems (MOOP) is the strength Pareto evolutionary algorithm (SPEA2). Multi-objective optimization of a disc brake system of a heavy truck by using SPEA2 and RBF with a priori bias is performed. As a result, the possibility to reduce the weight of the system without extensive compromise in other objectives is found. Multi-objective optimization of material model parameters of an adhesive layer with the aim of improving the results of a previous study is implemented. The result of the original study is improved and a clear insight into the nature of the problem is revealed.

In Canada, about 60% of contaminated sites involve petroleum hydrocarbon (PHC) contamination and most of these sites have been abandoned due to contamination. Among current technologies used for soil remediation, supercritical fluid extraction (SFE) is a relatively recent and potentially viable method. The main aim of this research was to investigate the application of SFE for removal of PHCs from contaminated soils. In the first phase, the effects of SFE operational parameters including fluid pressure, fluid temperature, time duration and mode of extraction on the removal efficiency of PHCs from a spiked sandy soil (with diesel fuel with a ratio of 5 wt%) were investigated. SFE experiments were performed at different pressures (15, 33 and 50 MPa) and temperatures (30, 75 and 120 °C). The combination of 10 min static mode followed by 10 min dynamic mode, repeated for 3 cycles (60 min in total) led to the highest PHC removal percentage. According to response surface methodology (RSM), the optimum pressure and temperature were found to be 50 MPa and 69.3 °C, respectively. According to experimental results, the optimum combination of pressure and temperature determined to be 33 MPa and 75 °C; which resulted in the extraction percentages of 99.2%, 91.7% and 86.1% for PHC F2, F3 and F4 fractions, respectively. In the second phase, the influence of several parameters including soil water content, soil pH and addition of modifier on PHCs removals from a field-contaminated sandy soil using SFE were experimentally investigated. SFE experiments were performed at 33 MPa pressure and temperatures of 45 and 75 °C. Three water content levels of 8%, 14% and 20% at two levels of pH 6.5 and 7.5 were investigated. The extraction of total petroleum hydrocarbon fractions (TPHF), the sum of F2, F3, and F4 fractions, decreased due to the increase in the water content from 8% to 20% at both pH 6.5 and 7.5. The difference of extractions of all PHC fractions at pH values of 6.5 and 7.5 were not statistically significant (at p < 0.05 confidence level) at all three water content levels and pH did not have a significant influence on the PHC removal efficiency. Addition of acetone as a modifier (33.7% TPHF removal) was more effective than hexanes (24.3% TPHF removal) to decrease the concentrations of PHCs for the field contaminated soil. In the third phase, the influence of soil texture and grain size on the extraction of PHC fractions was investigated. SFE experiments were performed at 33 MPa pressure and 75 °C temperature. Three types of soils (soil A, B and C) were spiked with diesel fuel with a ratio of 5 wt%. Soil A, B and C had different particle sizes and were categorized as sand, silt loam and clay, respectively. Soil A (sand) which had the largest particle size resulted in the highest TPHF removal percentage while soil C (clay) with the smallest particle size led to the lowest TPHF removal percentage. A higher clay content in soil C resulted in a lower extraction of PHCs. In the fourth phase, the effects of pressure and temperature on the extraction of PHC fractions from a clay soil spiked with diesel fuel with a ratio of 5 wt% were investigated. SFE experiments were performed at three pressures (15, 33 and 50 MPa) and temperatures (30, 75 and 120 °C). According to the statistical analysis including factorial design and RSM, the optimized combination of pressure and temperature was selected at 42.8 MPa and 120 °C; which resulted in the removal percentages of 74.9% and 65.6% for PHC F2 and F3 fractions, respectively. The optimum combination of pressure and temperature based on the experimental results was selected at 33 MPa and 120 °C that led to 70.3%, 58.4% and 32.6% removal of PHC F2, F3 and F4 fractions, respectively.

O setor agroindustrial tem se expandido muito nos últimos anos, levando o país a um aumento na geração de resíduos agroindustriais, sendo que a maior parte deles ainda é descartada no meio ambiente, sem tratamento adequado, ou utilizada na alimentação animal, destinos que a priori, não geram ganhos econômicos para a agroindústria além de representarem gargalos logísticos e ambientais na sua disposição. Nesse sentido, o presente trabalho teve como objetivos otimizar o processo de extração de compostos bioativos, avaliar in vitro as atividades antioxidante, por meio da desativação de espécies reativas de oxigênio, e anti-inflamatória, bem como determinar a composição fenólica dos resíduos agroindustriais a saber: película de amendoim (Arachis hypogaea) (cultivares IAC886 e IAC505), pimenta-rosa (Schinus terebinthifolius Raddi) e pimenta-do-reino (Piper Nigrum L). O processo de otimização da extração de compostos antioxidantes foi realizado utilizando dois processos de extração, extração convencional e subcrítica, em delineamento composto central rotacional, utilizando como variáveis a temperatura e tempo e a pressão e temperatura, respectivamente, com os solventes etanol 80%, água e propilenoglicol 80%. Durante o processo de otimização a atividade antioxidante foi avaliada pelo método de sequestro do radical ABTS. Os melhores resultados foram obtidos para a extração convencional com os solventes etanol 80%, água e propilenoglicol 80%. A película de amendoim (IAC505) apresentou as maiores atividades antioxidantes (1.396,67, 580,44 e 859,89 &mu;mol.g-1 em equivalentes de trolox, para os solventes etanol 80%, água e propilenoglicol 80%, respectivamente). A partir dos resultados obtidos para os solventes testados, utilizando a extração convencional, foram feitas outras análises de atividade antioxidante considerando o tempo e temperatura ideal de extração. Foram realizadas análises de avaliação da capacidade de redução de Folin-Ciocalteau e potencial de desativação dos radicais livres sintéticos (DPPH e ABTS) e espécies reativas de oxigênio (radicais peroxila, superóxido e ácido hipocloroso). O solvente de extração que apresentou melhores resultados em todos os ensaios foi o etanol 80%, sendo, portanto o solvente utilizado nas análises subsequentes. A partir da definição do melhor sistema extrator foram realizadas análises da composição fenólica, por meio das técnicas de cromatografia líquida de alta eficiência em modo analítico (HPLC-RP), cromatografia gasosa acoplada com espectrometria de massas (GC-MS), e avaliação in vitro da atividade anti-inflamatória. Foram identificados nos resíduos estudados procianidinas B1 e B2, ácido p-cumárico, miricetina, ácido ferúlico, ácido siríngico, ácido sinápico, epicatequina e catequina. A pimenta-do-reino diminui significativamente os níveis de TNF-&alpha; e nitritos, reduzindo assim o processo inflamatório gerado. Os resultados obtidos neste trabalho demonstram que estes resíduos agroindústrias possuem grande potencial biológico, podendo assim ser melhores aproveitados tanto pela indústria de alimentos quanto pela indústria farmacêutica. / The agribusiness sector has expanded greatly in recent years, leading the country to an increase in the generation of agro-industrial residues, even though most of them are still discarded in the environment without proper treatment, or used in animal feed, destinations that a priori do not generate economic gains for agribusiness besides representing logistical and environmental bottlenecks at your disposal. In this sense, the present study aimed to optimize the bioactive compounds extraction process, to evaluate in vitro the antioxidant activities, through the deactivation of reactive oxygen species, and anti-inflammatory as well as determine the phenolic composition of agro-industrial residues namely peanut skin (Arachis hypogaea) (IAC886 and IAC505 cultivars), pink pepper (Schinus terebinthifolius Raddi) and black pepper (Piper nigrum L). The optimization process of extraction of antioxidants was performed using two extraction processes, conventional extraction and subcritical on central composite design, using as variable temperature and time and the pressure and temperature, respectively, with solvents ethanol 80%, water and propyleneglycol 80%. During the optimization process the antioxidant activity was evaluated for the kidnapping method of ABTS radical. The best results were obtained for the conventional extraction with solvents ethanol 80%, water and propyleneglycol 80%. Peanut skin (IAC505) showed the highest antioxidant activity (1,396.67, 580.44 and 859.89 &mu;mol.g-1 in Trolox equivalents, for solvents ethanol 80%, water and propyleneglycol 80%, respectively). From the results obtained for the solvents tested, using conventional extraction, other analyzes were done considering the antioxidant activity optimum time and temperature of extraction. Valuation analyzes were carried out of the Folin-Ciocalteau reduction capability and potential disabling of synthetic free radical (DPPH and ABTS) and reactive oxygen species (peroxyl radicals, superoxide and hypochlorous acid). The extraction solvent that showed better results in all tests was ethanol 80%, and therefore the solvent used in subsequent analyzes. From the definition of the best extraction system analyzes were made of phenolic composition by means of liquid chromatography techniques of high efficiency in analytic way (HPLC-RP), gas chromatography coupled with mass spectrometry (GC-MS), and reviewed in vitro anti-inflammatory activity. They were identified at residues studied procyanidins B1 and B2, p-coumaric acid, myricetin, ferulic acid, syringic acid, sinapic acid, epicatechin, and catechin. The black pepper significantly reduces TNF-&alpha; and nitrite levels, thereby reducing the inflammatory process generated. The results of this study demonstrate that these agribusinesses waste have great biological potential, and thus can be best availed by both the food industry and the pharmaceutical industry.

El trabajo presentado en esta Tesis está motivado por la necesidad de los motores de combustión interna alternativos de reducir el consumo de combustible y las emisiones de CO2 mientras se satisfacen las cada vez más restrictivas regulaciones de emisiones contaminantes. Por lo tanto, el objetivo principal de este estudio es optimizar un sistema de combustión de encendido por compresión controlado por mezcla para probar su potencial como motores de futura generación. Con esta meta se ha desarrollado un sistema automático que combina CFD con métodos de optimización avanzados para analizar y entender las configuraciones óptimas. Los resultados presentados en este trabajo se dividen en dos bloques principales. El primero corresponde a la optimización de un sistema de encendido por compresión convencional alimentado con diésel. El segundo se centra en un concepto de combustión avanzado donde se ha sustituido el fuel por Dimetil-eter. En ambos casos, el estudio no sólo halla una configuración óptima sino que también se describen las relaciones causa/efecto entre los parámetros más relevantes del sistema de combustión. El primer bloque aplica métodos de optimización no-evolutivos a un motor medium-duty alimentado por diésel tratando de minimizar consumo a la vez que se mantienen las emisiones contaminantes por debajo de los estándares de emisiones contaminantes impuestos. Una primera parte se centra en la optimización de la geometría de la cámara de combustión y el inyector. Seguidamente se extiende el estudio añadiendo los settings de renovación de la carga de y de inyección al estudio, ampliando el potencial de la optimización. El estudio demuestra el limitado potencial de mejora de consumo que tiene el motor de referencia al mantener los niveles de emisiones contaminantes. Esto demuestra la importancia de incluir parámetros de renovación de la carga e inyección al proceso de optimización. El segundo bloque aplica una metodología basada en algoritmos genéticos al diseño del sistema de combustión de un motor heavy-duty alimentado con Dimetileter. El estudio tiene dos objetivos, primero la optimización de un sistema de combustión convencional controlado por mezcla con el objetivo de lograr mejorar el consumo y reducir las emisiones contaminantes hasta niveles inferiores a los estándares US2010. Segundo la optimización de un sistema de combustión trabajando en condiciones estequiométricas acoplado con un catalizador de tres vías buscando reducir consumo y controlar las emisiones contaminantes por debajo de los estándares 2030. Ambas optimizaciones incluyen tanto la geometría como los parámetros más relevantes de renovación de la carga y de inyección. Los resultados presentan un sistema de combustión convencional óptimo con una notable mejora en rendimiento y un sistema de combustión estequiométrica que es capaz de ofrecer niveles de NOx menores al 1% de los niveles de referencia manteniendo niveles competitivos de rendimiento. Los resultados presentados en esta Tesis ofrecen una visión extendida de las ventajas y limitaciones de los motores MCCI y el camino a seguir para reducir las emisiones de futuros sistemas de combustión por debajo de los estándares establecidos. A su vez, este trabajo también demuestra el gran potencial que tiene el Dimetil-eter como combustible para futuras generaciones de motores. / The work presented in this Thesis was motivated by the needs of internal combustion engines (ICE) to decrease fuel consumption and CO2 emissions, while fulfilling the increasingly stringent pollutant emission regulations. Then, the main objective of this study is to optimize a mixing-controlled compression ignition (MCCI) combustion system to show its potential for future generation engines. For this purpose an automatic system based on CFD coupled with different optimization methods capable of optimizing a complete combustion system with a reasonable time cost was designed together with the methodology to analyze and understand the new optimum systems. The results presented in this work can be divided in two main blocks, firstly an optimization of a conventional diesel combustion system and then an optimization of a MCCI system using an alternative fuel with improved characteristics compared to diesel. Due to the methodologies used in this Thesis, not only the optimum combustion system configurations are described, but also the cause/effect relations between the most relevant inputs and outputs are identified and analyzed. The first optimization block applies non-evolutionary optimization methods in two sequential studies to optimize a medium-duty engine, minimizing the fuel consumption while fulfilling the emission limits in terms of NOx and soot. The first study targeted four optimization parameters related to the engine hardware including piston bowl geometry, injector nozzle configuration and mean swirl number. After the analysis of the results, the second study extended to six parameters, limiting the optimization of the engine hardware to the bowl geometry, but including the key air management and injection settings. The results confirmed the limited benefits, in terms of fuel consumption, with constant NOx emission achieved when optimizing the engine hardware, while keeping air management and injection settings. Thus, including air management and injection settings in the optimization is mandatory to significantly decrease the fuel consumption while keeping the emission limits. The second optimization block applies a genetic algorithm optimization methodology to the design of the combustion system of a heavy-duty Diesel engine fueled with dimethyl ether (DME). The study has two objectives, the optimization of a conventional mixing-controlled combustion system aiming to achieve US2010 targets and the optimization of a stoichiometric mixing-controlled combustion system coupled with a three way catalyst to further control NOx emissions and achieve US2030 emission standards. These optimizations include the key combustion system related hardware, bowl geometry and injection nozzle design as input factors, together with the most relevant air management and injection settings. The target of the optimizations is to improve net indicated efficiency while keeping NOx emissions, peak pressure and pressure rise rate under their corresponding target levels. Compared to the baseline engine fueled with DME, the results of the study provide an optimum conventional combustion system with a noticeable NIE improvement and an optimum stoichiometric combustion system that offers a limited NIE improvement keeping tailpipe NOx values below 1% of the original levels. The results presented in this Thesis provide an extended view of the advantages and limitations of MCCI engines and the optimization path required to achieve future emission standards with these engines. Additionally, this work showed how DME is a promising fuel for future generation engines since it is able to achieve future emission standards while maintaining diesel-like efficiency / El treball presentat en esta Tesi està motivat per la necessitat dels motors de combustió interna alternatius de reduir el consum de combustible i les emissions de CO2 mentres se satisfan les cada vegada mes restrictives regulacions d'emissions contaminants. Per tant, l'objectiu principal d'este estudi es optimitzar un sistema de combustió d'encesa per compressió controlat per mescla per a provar el seu potencial com a motors de futura generació. Amb esta meta s'ha desenrotllat un sistema automàtic que combina CFD amb mètodes d'optimització avançats per a analitzar i entendre les configuracions òptimes. Els resultats presentats en este treball es dividixen en dos blocs principals. El primer correspon a l'optimització d'un sistema d'encesa per compressió convencional alimentat amb dièsel. El segon se centra en un concepte de combustió avançat on s'ha substituït el fuel per Dimetil-eter. En ambdós casos, l'estudi no sols troba una configuració òptima sinó que també es descriuen les relacions causa/efecte entre els paràmetres més rellevants del sistema de combustió. El primer bloc aplica mètodes d'optimització no-evolutius a un motor mediumduty alimentat per dièsel tractant de minimitzar consum al mateix temps que es mantenen les emissions contaminants per davall dels estàndards d'emissions contaminants impostos. Una primera part se centra en l'optimització de la geometria de la cambra de combustió i l'injector. A continuació s'estén l'estudi afegint els settings de renovació de la càrrega de i d'injecció a l'estudi, ampliant el potencial de l'optimització. L'estudi demostra el limitat potencial de millora de consum que té el motor de referència al mantindre els nivells d'emissions contaminants. Açò demostra la importància d'incloure paràmetres de renovació de la càrrega i injecció al procés d'optimització. El segon bloc aplica una metodologia basada en algoritmes genètics al disseny del sistema de combustió d'un motor heavy-duty alimentat amb Dimetil-eter. L'estudi té dos objectius, primer l'optimització d'un sistema de combustió convencional controlat per mescla amb l'objectiu d'aconseguir millorar el consum i reduir les emissions contaminants fins nivells inferiors als estàndards US2010. Segon l'optimització d'un sistema de combustió treballant en condicions estequiomètriques acoblat amb un catalitzador de tres vies buscant reduir consum i controlar les emissions contaminants per davall dels estàndards 2030. Ambdós optimitzacions inclouen tant la geometria com els paràmetres més rellevants de renovació de la càrrega i d'injecció. Els resultats presenten un sistema de combustió convencional òptim amb una notable millora en rendiment i un sistema de combustió estequiomètrica que és capaç d'oferir nivells de NOx menors al 1% dels nivells de referència mantenint nivells competitius de rendiment. Els resultats presentats en esta Tesi oferixen una visió estesa dels avantatges i limitacions dels motors MCCI i el camï que s'ha de seguir per a reduir les emissions de futurs sistemes de combustió per davall dels estàndards establits. Al seu torn, este treball també demostra el gran potencial que té el Dimetil-eter com a combustible per a futures generacions de motors. / Hernández López, A. (2018). Optimization and analysis by CFD of mixing-controlled combustion concepts in compression ignition engines [Tesis doctoral no publicada]. Universitat Politècnica de València. https://doi.org/10.4995/Thesis/10251/103826 / TESIS

This thesis is focused on shape optimization of Venturi´s nozzle with optimization method called response surface method. The first part of this work is concerned with the description of this method as well as explaining the basic principle. Furthermore, there is an explanation of the application of this method in synchronicity with CFD and its operating algorithm. The second part of this thesis is then focused on simple example with plane wing and simplified optimization of Venturi´s nozzle in which this method was tested. In the third part there is described full multiparameter shape optimalization of the nozzle for two geometries.

Natural bioactive compounds have drawn the interest of many researchers worldwide in their effort to find novel treatments, including prostate cancer (PC) treatment which is estimated to be 13.1% of all new cancer cases in the U.S. in 2021. Many of these bioactive compounds have been identified from treatments in traditional Chinese medicine (TCM), that often have multiple bioactive compounds present. However, in vitro studies frequently focus on the compounds in isolation, or in simple combinations of two compounds. We used mixture design response surface methodology (MDRSM) to assess changes in PC cell viability after 48 hours of treatment to identify the optimal mixture of all 35 three-compound combinations of seven bioactive compounds from TCM. We used Berberine, Wogonin, Shikonin, Curcumin, Triptolide, Emodin, and Silybin to treat PC-3, DU145, and LNCaP human PC cells, and a drug-resistant PC-3 cell line. Berberine and Wogonin most frequently contributed to the optimal combination to reduce cell viability in PC-3 and LNCaP cells; DU145 cells more frequently responded best to a single compound.

In this thesis, the authors investigate how machine learning can be utilized for speeding up the design optimization process of gas turbines. The Finite Element Analysis (FEA) steps of the design process are examined if they can be replaced with machine learning algorithms. The study is done using a component with given constraints that are provided by Siemens Energy AB. With this component, two approaches to using machine learning are tested. One utilizes design parameters, i.e. raw floating-point numbers, such as the height and width. The other technique uses a high dimensional mesh as input. It is concluded that using design parameters with surrogate models is a viable way of performing design optimization while mesh input is currently not. Results from using different amount of data samples are presented and evaluated.

[pt] O objetivo desta dissertação é propor critérios de aceitação da calibração individual de transmissores secundários de pressão estática, pressão diferencial e temperatura como dados de entrada da calibração final do sistema de medição de vazão de gás natural por placa de orifício. A motivação que norteou o desenvolvimento deste trabalho resultou do fato de o recém-introduzido Regulamento Técnico de Medição de Petróleo e Gás Natural (RTM) não definir as tolerâncias aplicáveis aos instrumentos associados a este tipo de sistema de medição, deixando esta decisão a cargo do usuário. Nesse sentido, o trabalho visa contribuir para a melhoria do controle metrológico do medidor de vazão por placa de orifício vis-à-vis o que determina o RTM, i.e.: incerteza expandida limitada a 1,5 porcento em medições fiscais e 2 porcento em medições de apropriação. A metodologia utilizada é a do planejamento experimental e de superfície de resposta, que permitiu otimizar os critérios de aceitação da incerteza associada a cada um dos três instrumentos que interferem no sistema de medição. Os resultados obtidos definem valores critérios-limites para a calibração de cada um dos transmissores secundários, de pressão estática, pressão diferencial e temperatura. Dentre as conclusões destaca-se a validação da metodologia proposta, que permitiu definir os critérios de aceitação da calibração pela análise da calibração individual de cada instrumento que integra o sistema global do medidor por placa de orifício. Finalizando, o trabalho encaminha recomendações para a melhoria da estrutura laboratorial da Unidade Operacional da Petrobras, no Espírito Santo (UO-ES), visando assegurar atendimento aos requisitos do regulamento técnico de medição de petróleo e gás natural. / [en] The aim of this dissertation is to propose individual acceptance criteria calibration of secondary transmitters of static pressure, differential pressure and temperature as the final calibration input data of the natural gas flow measurement system by orifice plate. The motivation that guided the development of this work resulted from the fact that the newly introduced technical regulation of Petroleum and Natural Gas measurement (RTM) does not define the applicable tolerances to associated instruments with this type of measurement system, leaving this decision in charge of user. In this sense, the work aims to contribute to the improvement of the metrological control of the flowmeter by orifice plate vis-à-vis what determines the RTM, e.g.: expanded uncertainty limited to 1.5 percent on fiscal measurements and 2 percent on measurements appropriation. The methodology used is the experimental design and response surface witch allowed to optimize the acceptance criteria of uncertainty associated each of the three instruments that interfere in the measurement system. The obtained results define the limits criteria values for each calibration of secondary transmitters, static pressure, differential pressure and temperature. Among the conclusions stands out the validation of proposal methodology, which allowed to define the acceptance criteria of calibration for analysis of individual calibration of each instrument that integrates global system for measuring orifice plate. Finally, the work forward recommendations for the improvement of laboratory structure of Petrobras Operation, in the Espírito Santo (UO-ES) in order to ensure compliance with the requirements of the technical regulation of oil and natural gas measurement.

M.Tech. (Department of Chemical Engineering, Faculty of Engineering and Technology), Vaal University of Technology. / The generation of waste tires is one of the most serious environmental problems in the modern world due to the increased use of auto mobiles all over the world. Currently there is a problem with the disposal of waste tires generated since there are strict regulations concerning their disposal through landfill sites. Therefore, there is a need to find ways of disposing these waste tires which pose serious health and environmental problem. The pyrolysis of the waste tires has been recognised as the most promising method to dispose the waste tires because it can reduce the weight of the waste tires to 10% of its original weight and produce products such as pyrolysis oil, pyrolysis char, and pyrolysis char. These products can be further processed to produce value added products. The char produced from the pyrolysis of waste tires can be further activated to produce activated carbon. This study is based on the chemical activation of waste tire pyrolysis char to produce activated carbon for the removal of lead ions from aqueous solution. This was done by impregnating the waste tire pyrolysis char with Potassium hydroxide and activating it inside a tube furnace under inert conditions to produce waste tire activated carbon. Adsorbent characterisation techniques (SEM, FTIR, TGA, XRF, XRD, BET, and Proximate analysis) were performed on the waste tire pyrolysis char and the activated carbon produced to make a comparison between the two samples. The results showed that the waste tire activated carbon produced has better physical and chemical properties compared to the raw waste tire pyrolysis char. Adsorption results revealed that waste tire activated carbon achieves higher removal percentages of lead ions from aqueous solution compared to waste tire pyrolysis char. The results also showed the effect of various process variables on the adsorption process. Adsorption isotherms, kinetics, and thermodynamics were also studied. The adsorption of lead ions agreed with the Freundlich isotherm model for both the waste tire pyrolysis char and waste tire activated carbon. In terms of adsorption kinetics, the experimental data provided best fits for the pseudo-first order kinetic model for both the waste tire pyrolysis char and the waste tire activated carbon. The adsorption thermodynamics study revealed that the process is an exothermic process and spontaneous in nature. Response surface methodology was used to determine the combined effect of process variables on the adsorption of lead ions onto waste tire activated carbon and to optimise the process using numerical optimisation. The optimum conditions were found to be adsorbent dosage = 1g/100ml, pH = 7, contact time = 115.2 min, initial meta concentration = 100 mg/l, and temperature = 25°C to achieve a maximum adsorption capacity of 93.176 mg/l.