Code verification is the process of ensuring, to the degree possible, that there are no algorithm deficiencies and coding mistakes (bugs) in a scientific computing simulation. In this work, techniques are presented for performing code verification of boundary conditions commonly used in compressible and incompressible Computational Fluid Dynamics (CFD) codes. Using a compressible CFD code, this study assesses the subsonic inflow (isentropic and fixed-mass), subsonic outflow, supersonic outflow, no-slip wall (adiabatic and isothermal), and inviscid slip-wall. The use of simplified curved surfaces is proposed for easier generation of manufactured solutions during the verification of certain boundary conditions involving many constraints. To perform rigorous code verification, general grids with mixed cell types at the verified boundary are used. A novel approach is introduced to determine manufactured solutions for boundary condition verification when the velocity-field is constrained to be divergence-free during the simulation in an incompressible CFD code. Order of accuracy testing using the Method of Manufactured Solutions (MMS) is employed here for code verification of the major components of an open-source, multiphase flow code - MFIX. The presence of two-phase governing equations and a modified SIMPLE-based algorithm requiring divergence-free flows makes the selection of manufactured solutions more involved than for single-phase, compressible flows. Code verification is performed here on 2D and 3D, uniform and stretched meshes for incompressible, steady and unsteady, single-phase and two-phase flows using the two-fluid model of MFIX. In a CFD simulation, truncation error (TE) is the difference between the continuous governing equation and its discrete approximation. Since TE can be shown to be the local source term for the discretization error, TE is proposed as the criterion for determining which regions of the computational mesh should be refined/coarsened. For mesh modification, an error equidistribution strategy to perform r-refinement (i.e., mesh node relocation) is employed. This technique is applied to 1D and 2D inviscid flow problems where the exact (i.e., analytic) solution is available. For mesh adaptation based upon TE, about an order of magnitude improvement in discretization error levels is observed when compared with the uniform mesh. / Ph. D.

In this dissertation, the extended Melnikov's method has been applied to several nonlinear ship dynamics models, which are related to the new generation of stability criteria in the International Maritime Organization (IMO). The advantage of this extended Melnikov's method is it overcomes the limitation of small damping that is intrinsic to the implementation of the standard Melnikov's method. The extended Melnikv's method is first applied to two published roll motion models. One is a simple roll model with nonlinear damping and cubic restoring moment. The other is a model with a biased restoring moment. Numerical simulations are investigated for both models. The effectiveness and accuracy of the extended Melnikov's method is demonstrated. Then this method is used to predict more accurately the threshold of global surf-riding for a ship operating in steep following seas. A reference ITTC ship is used here by way of example and the result is compared to that obtained from previously published standard analysis as well as numerical simulations. Because the primary drawback of the extended Melnikov's method is the inability to arrive at a closed form equation, a 'best fit'approximation is given for the extended Melnikov numerically predicted result. The extended Melnikov's method for slowly varying system is applied to a roll-heave-sway coupled ship model. The Melnikov's functions are calculated based on a fishing boat model. And the results are compared with those from standard Melnikov's method. This work is a preliminary research on the application of Melnikov's method to multi-degree-of-freedom ship dynamics. In the last part of the dissertation, the method of manufactured solution is applied to systems with chaotic behavior. The purpose is to identify points with potential numerical discrepancies, and to improve computational efficiency. The numerical discrepancies may be due to the selection of error tolerances, precisions, etc. Two classical chaotic models and two ship capsize models are examined. The current approach overlaps entrainment in chaotic control theory. Here entrainment means two dynamical systems have the same period, phase and amplitude. The convergent region from control theory is used to give a rough guideline on identifying numerical discrepancies for the classical chaotic models. The effectiveness of this method in improving computational efficiency is demonstrated for the ship capsize models. / Ph. D.

This work examines the Method of Nearby Problems as a way to generate analytical exact solutions to problems governed by partial differential equations (PDEs). The method involves generating a numerical solution to the original problem of interest, curve fitting the solution, and generating source terms by operating the governing PDEs upon the curve fit. Adding these source terms to the right-hand-side of the governing PDEs defines the nearby problem. In addition to its use for generating exact solutions the MNP can be extended for use as an error estimator. The nearby problem can be solved numerically on the same grid as the original problem. The nearby problem discretization error is calculated as the difference between its numerical solution and exact solution (curve fit). This is an estimate of the discretization error in the original problem of interest. The accuracy of the curve fits is quite important to this work. A method of curve fitting that takes local least squares fits and combines them together with weighting functions is used. This results in a piecewise fit with continuity at interface boundaries. A one-dimensional Burgers' equation case shows this to be a better approach then global curve fits. Six two-dimensional cases are investigated including solutions to the time-varying Burgers' equation and to the 2D steady Euler equations. The results show that the Method of Nearby Problems can be used to create realistic, analytical exact solutions to problems governed by PDEs. The resulting discretization error estimates are also shown to be reasonable for several cases examined. / Master of Science

A fundação profunda tem como objetivo realizar a transferência das cargas provenientes da superestrutura ao solo, ou seja, deve-se considerar sempre a interação fundação-solo, para estimativa da capacidade de carga de suporte da estrutura. Segundo Avelino (2006) com o surgimento dos ensaios de carregamento dinâmico, o controle do estaqueamento de fundações profundas desenvolveu-se significativamente nos últimos vinte anos devido à facilidade na execução desses ensaios e seu relativo baixo custo. No Brasil, há um predomínio praticamente absoluto dos métodos CASE e CAPWAP. O trabalho tem por objetivo analisar o método semi-empírico que preveja com maior confiabilidade a capacidade de carga de estacas pré-fabricadas cravadas em região de solo mole. Para atingir este objetivo serão analisadas estacas de concreto protendido com seção transversal quadrada 230mmx230mm, utilizadas como fundação de habitações populares em uma obra promovida pela Companhia de Desenvolvimento Habitacional e Urbano do Estado de São Paulo (CDHU), na cidade de Cubatão, São Paulo. Neste trabalho serão apresentados os resultados de capacidade de carga das estacas determinados através da aplicação de alguns métodos consagrados, como o Decourt-Quaresma (1978) e Aoki-Velloso (1975), que utilizam resultados de sondagens a percussão de simples reconhecimento. Estes valores de capacidade de carga serão comparados aos obtidos através de uma série de ensaios de carregamento dinâmico tendo como foco a capacidade de carga da estaca, através das analises CAPWAP. Estes ensaios são localizados próximos aos respectivos furos de sondagens cujos resultados foram utilizados para previsão da capacidade de carga. / A deep foundation is a structural element that aims to conduct the transfer of loads from the superstructure to the ground, ie, one should always consider the foundation-soil interaction to predict the load capacity of the frame support. According to Avelino (2006) with the emergence of dynamic loading tests, the control staking of deep foundations has developed significantly over the last twenty years due to the ease in performing those tests and their relative low cost. In Brazil, there is an almost absolute predominance of CASE and CAPWAP methods. The work aims to compare the values of load capacity predicted by semi-empirical methods of prefabricated concrete piles driven in to the soft soil with the values obtained through dynamic load tests. For this, pre-stressed concrete piles were analyzed with square cross section 230mmx230mm, used as popular housing foundation in a project promoted by the Company of Housing and Urban Development of the State of São Paulo (CDHU) in the city of Cubatão, São Paulo. The semi-empiric methods used follow the Decourt and Quaresma (1978), Aoki and Velloso (1975), methods, using results of standard penetration test (SPT). These load capacity values will be compared to those obtained through a series of dynamic loading test focusing on the load capacity obtained through the CAPWAP analysis.

A fundação profunda tem como objetivo realizar a transferência das cargas provenientes da superestrutura ao solo, ou seja, deve-se considerar sempre a interação fundação-solo, para estimativa da capacidade de carga de suporte da estrutura. Segundo Avelino (2006) com o surgimento dos ensaios de carregamento dinâmico, o controle do estaqueamento de fundações profundas desenvolveu-se significativamente nos últimos vinte anos devido à facilidade na execução desses ensaios e seu relativo baixo custo. No Brasil, há um predomínio praticamente absoluto dos métodos CASE e CAPWAP. O trabalho tem por objetivo analisar o método semi-empírico que preveja com maior confiabilidade a capacidade de carga de estacas pré-fabricadas cravadas em região de solo mole. Para atingir este objetivo serão analisadas estacas de concreto protendido com seção transversal quadrada 230mmx230mm, utilizadas como fundação de habitações populares em uma obra promovida pela Companhia de Desenvolvimento Habitacional e Urbano do Estado de São Paulo (CDHU), na cidade de Cubatão, São Paulo. Neste trabalho serão apresentados os resultados de capacidade de carga das estacas determinados através da aplicação de alguns métodos consagrados, como o Decourt-Quaresma (1978) e Aoki-Velloso (1975), que utilizam resultados de sondagens a percussão de simples reconhecimento. Estes valores de capacidade de carga serão comparados aos obtidos através de uma série de ensaios de carregamento dinâmico tendo como foco a capacidade de carga da estaca, através das analises CAPWAP. Estes ensaios são localizados próximos aos respectivos furos de sondagens cujos resultados foram utilizados para previsão da capacidade de carga. / A deep foundation is a structural element that aims to conduct the transfer of loads from the superstructure to the ground, ie, one should always consider the foundation-soil interaction to predict the load capacity of the frame support. According to Avelino (2006) with the emergence of dynamic loading tests, the control staking of deep foundations has developed significantly over the last twenty years due to the ease in performing those tests and their relative low cost. In Brazil, there is an almost absolute predominance of CASE and CAPWAP methods. The work aims to compare the values of load capacity predicted by semi-empirical methods of prefabricated concrete piles driven in to the soft soil with the values obtained through dynamic load tests. For this, pre-stressed concrete piles were analyzed with square cross section 230mmx230mm, used as popular housing foundation in a project promoted by the Company of Housing and Urban Development of the State of São Paulo (CDHU) in the city of Cubatão, São Paulo. The semi-empiric methods used follow the Decourt and Quaresma (1978), Aoki and Velloso (1975), methods, using results of standard penetration test (SPT). These load capacity values will be compared to those obtained through a series of dynamic loading test focusing on the load capacity obtained through the CAPWAP analysis.

Recent advances in nanotechnology have led to the production of materials with nanoscale dimensions (nm) and properties distinctly different from their bulk (>100 nm) counterparts. With increased use, it is inevitable that nanomaterials will accumulate in the environment and there is concern that the novel properties of nanomaterials could result in detrimental environmental and human health effects. In particular, there has been concern recently regarding the use of silver (Ag) based nanomaterials as antimicrobial agents in consumer and medical products. Current regulations dealing with the discharge of metals into the environment are based on total concentrations with no consideration for the form (e.g., ionic, nanoparticle, colloid) which can largely determine toxicity. Methods for the identification and characterization of nanoparticulates within complex matrices are lacking and the development of robust methods for this purpose are considered a high priority research area. This research focuses on the development and application of a novel method for characterizing Ag manufactured nanoparticles (MNPs) within terrestrial environments, in particular in soil pore water, with applications relevant to other metal MNPs as well. The method was then applied to understand the dynamics and behavior of Ag MNPs in soil and soil amended with sewage sludge biosolids.

Ce travail contribue à développer des méthodes de résolution associées à la méthode de simulation MMP (Model of Manufactured Part) développée par F.Vignat et F.Villeneuve. Le MMP est un modèle générique 3D des défauts géométriques engendrés sur les pièces fabriquées par un processus de fabrication donné. Ce modèle permet de générer un ensemble de pièces virtuellement fabriquées incluant les incertitudes de fabrication et permet par conséquent de mener l'analyse de tolérances fonctionnelles. Les méthodes de résolution développées autour du MMP permettent aux ingénieurs de fabrication d'évaluer une gamme de fabrication candidate du point de vue géométrique. Le développement des méthodes de résolution s'est effectué selon 2 axes. Le premier axe consiste à développer des méthodes pour la recherche du pire des cas (WCTA). La première approche de cet axe utilise des méthodes d'optimisation (SQP pour Sequential Quadratic Programming et GA pour les algorithmes génétiques) basées sur la recherche du pire des cas. La recherche du pire des cas consiste en un algorithme d'optimisation multicouche comportant deux boucles principales. La deuxième approche de cet axe consiste à faire une adaptation de la méthode du torseur des petits déplacements avec intervalle (modèle Jacobien Torseur développé au Canada) à la méthode MMP. Le deuxième axe concerne les méthodes stochastiques permettant une simulation de production d'un ensemble de pièces et l'analyse des résultats d'un point de vue statistique. La méthode stochastique est basée sur une méthode de tirage aléatoire sous contraintes. Les différentes approches sont finalement comparées entre elles.

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior / Uma análise utilizando a série de Taylor é apresentada para se estimar a priori os erros envolvidos na solução numérica da equação de advecção unidimensional com termo fonte, através do Método dos Volumes Finitos em uma malha do tipo uniforme e uma malha não uniforme. Também faz-se um estudo a posteriori para verificar a magnitude do erro de discretização e corroborar os resultados obtidos através da análise a priori. Por meio da técnica de solução manufaturada tem-se uma solução analítica para o problema, a qual facilita a análise dos resultados numéricos encontrados, e estuda-se ainda a influência das funções de interpolação UDS e CDS e do parâmetro u na solução numérica. / An analysis based on Taylor series is presented for estimating a priori the errors involved in the numerical solution of advection equation one-dimensional with source term, using the Finite Volume Method in a mesh uniform and a nonuniform mesh. Also is accomplished a study to determine the magnitude of discretization error and corroborate the results obtained on analyzing a priori. By using the technique of solution manufactured is produced an analytical solution for the problem, which facilitates analysis of the numeric results, and was also studied the influence functions of interpolation UDS and CDS and of parameter u in the numerical solution.

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior / Uma análise utilizando a série de Taylor é apresentada para se estimar a priori os erros envolvidos na solução numérica da equação de advecção unidimensional com termo fonte, através do Método dos Volumes Finitos em uma malha do tipo uniforme e uma malha não uniforme. Também faz-se um estudo a posteriori para verificar a magnitude do erro de discretização e corroborar os resultados obtidos através da análise a priori. Por meio da técnica de solução manufaturada tem-se uma solução analítica para o problema, a qual facilita a análise dos resultados numéricos encontrados, e estuda-se ainda a influência das funções de interpolação UDS e CDS e do parâmetro u na solução numérica. / An analysis based on Taylor series is presented for estimating a priori the errors involved in the numerical solution of advection equation one-dimensional with source term, using the Finite Volume Method in a mesh uniform and a nonuniform mesh. Also is accomplished a study to determine the magnitude of discretization error and corroborate the results obtained on analyzing a priori. By using the technique of solution manufactured is produced an analytical solution for the problem, which facilitates analysis of the numeric results, and was also studied the influence functions of interpolation UDS and CDS and of parameter u in the numerical solution.

Orientador: Maria Angela de Almeida Meireles / Tese (doutorado) - Universidade Estadual de Campinas, Faculdade de Engenharia de Alimentos / Made available in DSpace on 2018-08-21T18:37:04Z (GMT). No. of bitstreams: 1 Albuquerque_CarolinaLimaCavalcantide_D.pdf: 12275950 bytes, checksum: 7b9310d247098014de7bd14f47104232 (MD5) Previous issue date: 2013 / Resumo: Este trabalho apresenta um estudo do processo de extração supercrítica (SFE) de óleo de urucum, para obter sementes desengorduradas e extrato rico em tocotrienóis. O trabalho consistiu em um estudo dos parâmetros do processo, do aumento de escala e da viabilidade econômica. Uma revisão da agroindústria do urucum mostrou uma tendência crescente de seu uso devido ao aumento da demanda dos consumidores por produtos naturais e que as sementes são ricas em tocotrienóis, substâncias com ação antioxidante e hipocolesterolêmica. No entanto, a valorização socioeconômica dos produtores, a obtenção de extrato com maior qualidade e o aproveitamento dos subprodutos dos processos foram os principais pontos que ainda precisavam ser aprimorados. Desde que a tecnologia supercrítica tem a vantagem de obter extratos e resíduo livres de solvente, agregando valor aos produtos e subprodutos do processo, um estudo preliminar de viabilidade econômica do processo SFE de óleo de urucum com CO2 supercrítico foi realizado, usando os dados disponíveis na literatura. O estudo mostrou que a SFE de óleo de urucum com dados não otimizados foi viável, uma vez que os custos de manufatura (COM) dos extratos, para as diversas escalas industriais, foram iguais a US$ 382,82/kg (100 L), US$ 258,54/kg (500 L) e US$ 232,88/kg (1000 L). Diante disso, condições otimizadas de processo foram determinadas com ensaios experimentais em 313 e 333 K e 20, 31, e 40 MPa. A quantidade máxima de óleo foi obtida em 333 K/40 MPa. Nestas condições, um experimento cinético (OEC) foi realizado e o COM do extrato foi estimado em função do tempo de extração. Com a otimização do tempo de processo, o COM do extrato para as capacidades de 100 e 500 L decresceu para US$ 124,58/kg e US$ 109,27/kg, respectivamente. Um extrato mais concentrado em ?-tocotrienol, (14,6±0,4)%, foi obtido em 313 K/20 MPa. Nesta condição, foi obtido o menor teor de bixina no extrato, (0,9 ± 0,1)%. Logo, extrato rico em substâncias funcionais e sementes desengorduradas, e ricas em bixina para posterior extração, foram obtidas com o COM viável para diferentes escalas industriais. OECs em equipamento de 5 L, em 313 K/20 MPa, validaram o critério de aumento de escala usado na simulação do processo para a estimativa do COM: manter constantes a razão entre a massa de solvente e a massa de matéria-prima (S/F) e o tempo de residência do solvente, obtidos em escala de laboratório. As OECs em ambas as escalas apresentaram desempenho similares, tanto em rendimento de extrato, quanto de tocotrienóis. Os valores de COM dos extratos foram estimados para os cenários de investidor, produtor e indústria de colorantes, com custo de matéria-prima variando de 0,00-2,20 US$/kg. Para o cenário do investidor, o tempo de processo favorável do ponto de vista econômico foi em 105 minutos, com COM de (115±5) US$/kg para uma unidade de 500 L e S/F de 8,7. Para os cenários, produtor e a indústria, os menores COMs foram (40±6) US$/kg, (15±2) US$/kg, e (12±1) US$/kg, para as capacidades de 50, 300 e 500 L, respectivamente, em 28 minutos e S/F de 3,1. O tempo de retorno de investimento variou entre 1-5 anos, para o produtor, que vende tanto o óleo, quanto o resíduo gerado: sementes desengorduradas e ricas em bixina; e para a indústria de colorantes, que utilizam as sementes desengorduradas para a produção do colorante, além de poder vender o óleo. Este estudo mostrou que a SFE é economicamente viável para escalas a partir de 50 L. Além disso, tem a vantagem de produzir sementes com teor de óleo reduzido/controlado e extrato com concentrações diferentes em ?-tocotrienol, apenas ajustando as condições operacionais do processo / Abstract: This work presents a study of the supercritical fluid extraction (SFE) of annatto oil to obtain defatted seeds and extract rich in tocotrienols. The work consisted in studying the process parameters, the scale-up and economic feasibility. A review of the annatto agribusiness showed a trend of using annatto due to the increasing consumer demand for natural products because the seeds are rich in tocotrienols, which are antioxidant and hypocholesterolemic substances. However, the socioeconomic evaluation of the producers, the recovery of higher quality extract, and the use of process byproducts were found as the main points that still needed to be improved. Supercritical Technology has the advantage of obtaining solvent-free extracts and residue that add value to the products and byproducts of the process. Thus, a preliminary study of economic feasibility of the SFE process of annatto oil was carried out using the available data in literature. The study showed that the SFE of annatto oil was ecnomically feasible with no data optimized, since the cost of manufacturing (COM) of extracts, for various industrial scales, were US$ 382.82/kg (100 L), US$ 258.54/kg (500 L) e US$ 232.88/kg (1000 L). Therefore, optimized conditions of the process were determined with the experimental assays at 313 e 333 K and 20, 31, and 40 MPa. Largers amounts of oil were obtained in 333 K/40 MPa. In these conditions, kinect experiments were carried out and the COM of extracts was estimated as a function of extraction time. The optimization of process time decreased the COM for the capacities 100 e 500 L to US$ 124.58/kg to US$ 109.27/kg respectively. Extract more concentrated in ?-tocotrienol, (14.6 ± 0.4)% was obtained at 313 K/20 MPa. In this condition, the lowest bixin content was obtained in the extract, (0.9 ± 0.1)%. Therefore, an extract rich in functional substances and defatted seeds, and rich in bixin for later extraction were obtained with different feasible COM for industrial scales. The overall extraction curves (OECs) determined in a 5 L unit at 313 K/20 MPa showed that the scaling-up criterion used in the SFE simulation to estimate the COM was validated. The criterion was to keep constant the mass of solvent to mass of feed ratio (S/F) and the solvent residence time obtained in laboratory scale. The OECs in both scales had similar performance, with similar yield of extract and tocotrienols. The COM of the extracts was estimated for different scenarios considering three different stakeholders: investor, producer and colorant industries. The raw material cost ranged from 0.00 to 2.20 US$/kg. In the investor's scenario, the best process time, from the economic standpoint, was 105 minutes, with COM (115±5) US$/kg for a 500 L and S/F of 8.7. For producer and industry scenarios, the lowest COMs were (40±6) US$/kg, (15±2) US$/kg, e (12±1) US$/kg, obtained at 28 minutes and S/F of 3.1 for capacities of 50, 300 and 500 L, respectively. The payback period ranged between 1-5 years for the producer selling oil, waste, and defatted seed which has high bixin content. The colorant industry use defatted seeds for colorant production, and sells the oil. This study showed that the SFE is economically feasible for units of at least 50L. Moreover, the process has the advantage of producing seed with reduced or controlled oil content, and extract with different concentrations of ?- tocotrienol, only by adjusting the operating conditions of the process / Doutorado / Engenharia de Alimentos / Doutora em Engenharia de Alimentos