A produção de petróleo no pré-sal pode ser associada a contaminantes como o CO2. As plataformas instaladas neste polo possuem o sistema de remoção de CO2 usando permeação em membrana polimérica, que separa a corrente de gás em uma pobre em CO2 e outra rica neste. Este trabalho propõe um modelo para simulação da separação de gases utilizando permeador de gases do tipo espiral em contra-corrente. Este modelo utiliza equações baseadas em fenômenos de transporte e termodinâmica, tais como: comportamento real dos gases, variação da permeância com temperatura, transferência de calor dentro do equipamento e efeito Joule-Thomson. A validação foi feita utilizando dados da literatura para separações isotérmicas e dados obtidos em permeador instalado em plataforma de petróleo. Utilizou-se metodologia de reconciliação de dados e agrupamento para tratamento dos dados industriais, o que permitiu maior eficiência na reconciliação dos parâmetros do modelo. A partir da modelagem proposta determinaram-se os parâmetros de processos mais relevantes, permitindo a simulação de condições operacionais diferentes das utilizadas na regressão e a verificação da influência da variação de cada uma das condições operacionais. / The production of oil in pre-salt field is associated with contaminants such as CO2. The rigs installed in this field have a CO2 removal system using permeation on polymer membrane, which separates the gas stream in a stream with low CO2 content and another one with high CO2 content. This paper proposes a model for simulation of gas separation using spiral type permeator of gases in countercurrent flow. This model uses equations based on transport and thermodynamic phenomena such as: real behavior of gases, permeance dependence with temperature, heat transfer inside the equipment and Joule-Thomson effect. The validation was performed using literature data for isothermal separations and data from permeator installed on the oil rig. Was used data reconciliation methodology and clusterization for treatment of industrial data, allowing more efficient reconciliation of the model parameters. From the proposed model were determined the most relevant process parameters, allowing the simulation of operating conditions different than those used in the regression and verification of the influence of the change of each of the operating conditions.

Orientador: Jose Mario Martinez Perez / Dissertação (mestrado) - Universidade Estadual de Campinas, Instituto de Matematica, Estatistica e Computação Cientifica / Made available in DSpace on 2018-08-10T15:09:35Z (GMT). No. of bitstreams: 1 Bueno_LuisFelipeCesardaRocha_M.pdf: 1111693 bytes, checksum: 531a933822f5dcf9cacad7dea6be5f53 (MD5) Previous issue date: 2008 / Resumo: Nesta dissertacao fazemos uma exposicao sobre alguns modelos matematicos com aplicacoes em economia. Dentre os modelos estudados destacamos a versao discreta das populares medidas de risco VaR (Value at Risk ) e C-VaR (Conditional Value at Risk ). Discutimos algumas propriedades de tais medidas, e, principalmente, expomos sobre algumas ideias para otimiza-las sob uma formulação do tipo OVO (Order Value Optimization) e propomos uma nova formulação para o problema de minimizar a VaR / Abstract: In this dissertation we make a presentation on some mathematical models with applications in economics. Among the studied models we highlight a discrete version of the popular risk measures VaR (Value at Risk) and C-VaR (Conditional Value at Risk). We discuss about some properties of such measures, and, above all, expose on some ideas for optimizing the VaR and CVaR under a OVO (Order Value Optimization) formulation and propose a new formulation to the problem of minimizing the VaR / Mestrado / Otimização / Mestre em Matemática Aplicada

Submitted by Renata Lopes (renatasil82@gmail.com) on 2016-10-04T11:31:20Z No. of bitstreams: 1 guillibercarlosdafonseca.pdf: 2026851 bytes, checksum: 6ccb372126c69004827ea484ee727b78 (MD5) / Approved for entry into archive by Diamantino Mayra (mayra.diamantino@ufjf.edu.br) on 2016-10-04T12:39:27Z (GMT) No. of bitstreams: 1 guillibercarlosdafonseca.pdf: 2026851 bytes, checksum: 6ccb372126c69004827ea484ee727b78 (MD5) / Made available in DSpace on 2016-10-04T12:39:27Z (GMT). No. of bitstreams: 1 guillibercarlosdafonseca.pdf: 2026851 bytes, checksum: 6ccb372126c69004827ea484ee727b78 (MD5) Previous issue date: 2010-03-25 / A Doença Renal Crônica (DRC) é caracterizada pela perda da capacidade de filtragem dos rins. O paciente com DRC tem diminuição dos níveis de força muscular e de condicionamento físico, os quais estão diretamente ligados à qualidade de vida e à realização das atividades da vida diária. A atividade física, especificamente o treinamento de força, pode ser utilizada como uma intervenção não farmacológica para o tratamento da doença. Para a realização desse tipo de programa há a necessidade da identificação do volume e intensidade do treinamento neuromuscular, através de testes de carga. No entanto, a aplicação dos testes de carga dinâmica máxima (uma repetição máxima ou de peso por repetição) não é adequada para pacientes com DRC em razão do seu baixo nível de força muscular. Antes de se definir qual o melhor teste para avaliação da carga de treinamento, é necessário, primeiramente, identificar as características da produção da força muscular nesses pacientes. Para tanto, os testes de esforço muscular isométrico parecem ser ideais para isso, em específico o da dinamometria computadorizada de preensão da mão que, além de fácil aplicação, possibilita a avaliação do comportamento da contração muscular através da análise da curva força-tempo. Neste estudo propõe-se uma técnica para análise das curvas, em sua fase de produção de força (fase rápida) através do ajuste, por quadrados mínimos, de um modelo matemático com quatro parâmetros (a,b,c,d). A amostra foi composta de 31 pacientes com DRC (51±15 anos, 69,94±13,34 kg e 1,65±0,08 m) e 4 sujeitos hipertensos (37 ± 14 anos, 75,1 ± 16,5 kg e 1,72 ± 0,12 m), como controle. Foram utilizados os dinamômetros JAMAR (referência) e o transdutor de preensão manual computadorizado, com empunhadura modificada. Não foram observadas diferenças significativas entre os valores de força máxima dos membros dominante e não dominante, e dos parâmetros b (p = 0,18), c (p = 0,35) e d (p = 0,05). Somente os valores da pré-carga (p < 0,001) e do parâmetro a (p < 0,001) foram significativamente diferentes, o que significa dizer que o paciente com DRC inicia o teste com força inicial maior do que o grupo controle e atinge mais lentamente o valor máximo de força. Novas pesquisas baseadas em diferentes protocolos de 6 testes de esforço muscular isométrico poderão confirmar as ações específicas das unidades motoras de contração lenta e rápida em cada fase da curva força-tempo. / The chronic kidney disease (CKD) is characterized by lost in kidney filtration capacity. These patients with CKD have decreased levels of muscle strength, physical functioning, which is connected with daily activities and quality of life. The physical activity can be employed as a non pharmacologic procedure, but to programming a physical training is necessary evaluated the features to be work. The standard of evaluations must be observed to ensure pureness of datum collected. The evaluation of strength-time curve can be one methodology used to clarify the muscle contraction behavior. So, we proposed a methodology of curve analysis of patients with CKD, using non linear and linear mathematic parameter mode, which when evaluated allow us make correspondence with muscle contraction physiology. The sample was determined by 31 patients (51±15 years old, 69,94±13,34 kg e 1,65±0,08 meters) with CKD and 4 individuals with high blood pressure (37 ± 14 years old, 75,1 ± 16,5 kg e 1,72 ± 0,12 meters), they were evaluated by handgrip test in 2 moments with 2 different dynamometers. Significative differences were not observe between values of maximal strength, between members and parameters [b] (p=0,18), [c] (p=0,35) e [d] (p=0,05). Merely the values of preload (p = 0,00000014),, of [a] parameter (p=0,00078), and the values of patients strength between dynamometers were significant different: right (p = 0,00003) and left (p = 0,0001). Using the parameters of strength-time curve become a methodology with good price, non-invasive and could be applied easily in the evaluations. The necessity of new instigations employed the analysis methods is evident.

Le champ électrique d'une puissance suffisante peut provoquer une augmentation de conductivité et perméabilité de la membrane cellulaire. L'effet est connu comme l'électroporation, attribuée à la création de voies aqueuses dans la membrane. Quantifier le transport de la matière dans le cadre d'électroporation est un objectif important. Comprendre ces processus a des ramifications dans l’extraction du jus ou l’extraction sélective des composés de cellules végétales, l'amélioration de l'administration de médicaments, et des solutions aux défis environnementaux. Il y a un manque de modèles qui pourraient être utilisés pour modéliser le transport de la matière dans les structures complexes (tissus biologiques) par rapport à l'électroporation. Cette thèse présente une description mathématique théorique (un modèle) pour étudier le transport de la matière et le transfert de la chaleur dans tissu traité par l’électroporation. Le modèle a été développé en utilisant les lois de conservation et de transport et permet le couplage des effets de l'électroporation sur la membrane des cellules individuelles au transport de la matière ou la chaleur dans le tissu. Une solution analytique a été trouvée par une simplification, mais le modèle peut être étendu avec des dépendances fonctionnelles supplémentaires et résolu numériquement. La thèse comprend cinq articles sur l'électroporation dans l'industrie alimentaire, la création de modèle pour le problème de diffusion, la traduction du modèle au problème lié à l’expression de jus, validation du modèle, ainsi que des suggestions pour une élaboration future du modèle. Un chapitre supplémentaire est dédié au transfert de la chaleur dans tissu. / An electric field of sufficient strength can cause an increase of conductivity and permeability of cell membrane. Effect is known as electroporation and is attributed to creation of aqueous pathways in the membrane. Quantifying mass transport in connection with electroporation of biological tissues is an important goal. The ability to fully comprehend transport processes has ramifications in improved juice extraction and improved selective extraction of compounds from plant cells, improved drug delivery, and solutions to environmental challenges. While electroporation is intensively investigated, there is a lack of models that can be used to model mass transport in complex structures such as biological tissues with relation to electroporation. This thesis presents an attempt at constructing a theoretical mathematical description – a model, for studying mass (and heat) transfer in electroporated tissue. The model was developed employing conservation and transport laws and enables coupling effects of electroporation to the membrane of individual cells with the resulting mass transport or heat transfer in tissue. An analytical solution has been found though the model can be extended with additional dependencies to account for the phenomenon of electroporation, and solved numerically. Thesis comprises five peer-reviewed papers describing electroporation in the food industry, model creation for the problem of diffusion, translation of the model to the mathematically-related case of juice expression, model validation, as well as suggestions for possible future development, extension, and generalization. An additional chapter is dedicated to transfer of heat in tissue.

Dans la première partie de cette thèse effectuée en collaboration avec le groupe expérimental de C. Chazaud (Clermont Université), nous avons étudié théoriquement un processus de différenciation cellulaire intervenant avant l’implantation de l’embryon dans l’utérus. Il s’agit de la spécification des cellules de la masse cellulaire interne (MCI) en épiblaste (EPI) et en endoderme primitif (EPr), processus dans lequel les facteurs de transcription Nanog et Gata6 jouent un rôle essentiel. En effet, en absence de Nanog, les cellules de la MCI acquièrent toutes une identité EPr, tandis qu’en absence de Gata6, elles se différencient toutes en EPI. De plus, la voie de signalisation Fgf/Erk active l’expression de Gata6 et inhibe celle de Nanog. Enfin, Nanog active la sécrétion dans le milieu extracellulaire de Fgf4, une molécule qui active la voie de signalisation Fgf/Erk en se liant au FgfR2. Nous avons développé un modèle mathématique pour ce réseau de régulations, fondé sur des équations différentielles ordinaires décrivant l’évolution temporelle des niveaux de protéines Nanog, Gata6, Fgf4 et Fgfr2 et de l’activité de la voie Fgf-Erk. Nous avons validé ce modèle en montrant qu’il récapitule les résultats expérimentaux obtenus in vivo, dans les embryons wild-type et dans les mutants Nanog-/- et Gata6-/-. De plus, l’analyse des résultats du modèle permet de proposer un nouveau mécanisme pour l’émergence d’une population mixte de cellules EPI et EPr au sein de la MCI. Ce mécanisme repose sur le fait que le système décrit par notre modèle peut présenter trois états stationnaires stables, dont les niveaux d’expression de Nanog et Gata6 correspondent à l’EPI, l’EPr et la MCI non-différenciée, respectivement. De plus, le modèle a été utilisé afin d’interpréter des résultats expérimentaux récents et contre-intuitifs, concernant les embryons hétérozygotes Gata6+/-. Enfin, nous avons établi des prédictions théoriques, dont certaines ont été ultérieurement vérifiées en laboratoire. <p>Dans la seconde partie de la thèse, effectuée dans le laboratoire d’O. Pourquié (Université de Strasbourg), nous avons étudié un processus de différenciation in vitro, par une approche expérimentale. Il s’agit de la différenciation des cellules souches embryonnaires (ES) en cellules de mésoderme paraxial, un tissu dont dérivent –au cours du développement embryonnaire– les cellules formant notamment les vertèbres, les côtes, la peau et les muscles squelettiques du dos.<p> / Doctorat en Sciences agronomiques et ingénierie biologique / info:eu-repo/semantics/nonPublished

Living cells and their components play a key role within biotechnology industry. Cell cultures and their products of interest are used for the design of vaccines as well as in the agro-alimentary field. In order to ensure optimal working of such bioprocesses, the understanding of the complex mechanisms which rule them is fundamental. Mathematical models may be helpful to grasp the biological phenomena which intervene in a bioprocess. Moreover, they allow prediction of system behaviour and are frequently used within engineering tools to ensure, for instance, product quality and reproducibility.<p> <p>Mathematical models of cell cultures may come in various shapes and be phrased with varying degrees of mathematical formalism. Typically, three main model classes are available to describe the nonlinear dynamic behaviour of such biological systems. They consist of macroscopic models which only describe the main phenomena appearing in a culture. Indeed, a high model complexity may lead to long numerical computation time incompatible with engineering tools like software sensors or controllers. The first model class is composed of the first principles or white box models. They consist of the system of mass balances for the main species (biomass, substrates, and products of interest) involved in a reaction scheme, i.e. a set of irreversible reactions which represent the main biological phenomena occurring in the considered culture. Whereas transport phenomena inside and outside the cell culture are often well known, the reaction scheme and associated kinetics are usually a priori unknown, and require special care for their modelling and identification. The second kind of commonly used models belongs to black box modelling. Black boxes consider the system to be modelled in terms of its input and output characteristics. They consist of mathematical function combinations which do not allow any physical interpretation. They are usually used when no a priori information about the system is available. Finally, hybrid or grey box modelling combines the principles of white and black box models. Typically, a hybrid model uses the available prior knowledge while the reaction scheme and/or the kinetics are replaced by a black box, an Artificial Neural Network for instance.<p><p>Among these numerous models, which one has to be used to obtain the best possible representation of a bioprocess? We attempt to answer this question in the first part of this work. On the basis of two simulated bioprocesses and a real experimental one, two model kinds are analysed. First principles models whose reaction scheme and kinetics can be determined thanks to systematic procedures are compared with hybrid model structures where neural networks are used to describe the kinetics or the whole reaction term (i.e. kinetics and reaction scheme). The most common artificial neural networks, the MultiLayer Perceptron and the Radial Basis Function network, are tested. In this work, pure black box modelling is however not considered. Indeed, numerous papers already compare different neural networks with hybrid models. The results of these previous studies converge to the same conclusion: hybrid models, which combine the available prior knowledge with the neural network nonlinear mapping capabilities, provide better results.<p><p>From this model comparison and the fact that a physical kinetic model structure may be viewed as a combination of basis functions such as a neural network, kinetic model structures allowing biological interpretation should be preferred. This is why the second part of this work is dedicated to the improvement of the general kinetic model structure used in the previous study. Indeed, in spite of its good performance (largely due to the associated systematic identification procedure), this kinetic model which represents activation and/or inhibition effects by every culture component suffers from some limitations: it does not explicitely address saturation by a culture component. The structure models this kind of behaviour by an inhibition which compensates a strong activation. Note that the generalization of this kinetic model is a challenging task as physical interpretation has to be improved while a systematic identification procedure has to be maintained.<p><p>The last part of this work is devoted to another kind of biological systems: proteins. Such macromolecules, which are essential parts of all living organisms and consist of combinations of only 20 different basis molecules called amino acids, are currently used in the industrial world. In order to allow their functioning in non-physiological conditions, industrials are open to modify protein amino acid sequence. However, substitutions of an amino acid by another involve thermodynamic stability changes which may lead to the loss of the biological protein functionality. Among several theoretical methods predicting stability changes caused by mutations, the PoPMuSiC (Prediction Of Proteins Mutations Stability Changes) program has been developed within the Genomic and Structural Bioinformatics Group of the Université Libre de Bruxelles. This software allows to predict, in silico, changes in thermodynamic stability of a given protein under all possible single-site mutations, either in the whole sequence or in a region specified by the user. However, PoPMuSiC suffers from limitations and should be improved thanks to recently developed techniques of protein stability evaluation like the statistical mean force potentials of Dehouck et al. (2006). Our work proposes to enhance the performances of PoPMuSiC by the combination of the new energy functions of Dehouck et al. (2006) and the well known artificial neural networks, MultiLayer Perceptron or Radial Basis Function network. This time, we attempt to obtain models physically interpretable thanks to an appropriate use of the neural networks.<p> / Doctorat en sciences appliquées / info:eu-repo/semantics/nonPublished

L’apparition d’inclusions exogènes demeure un problème majeur pour les élaborateurs de titane. Afin d’améliorer la propreté inclusionnaire des lingots élaborés par le procédé de refusion à l’arc sous vide (Vacuum Arc Remelting), une étude numérique et expérimentale a été réalisée. La partie numérique de la thèse consiste à modéliser le comportement d’un défaut hard-α provenant de l’électrode consommable et tombant dans le puits liquide du lingot. Un modèle décrivant le processus de dissolution prédit l’évolution de la taille d’une inclusion durant son séjour dans le puits liquide. La trajectoire est déterminée à l’aide d’un modèle lagrangien tenant compte de la turbulence de l’écoulement en modifiant le coefficient de trainée. Les deux modèles ont été couplés et implémentés dans le logiciel SOLAR, qui simule la croissance d’un lingot VAR.Les résultats mettent en évidence la difficulté d’éliminer une inclusion hard-α avec une seule refusion, principalement à cause de la croissance d’une couche de phase β pendant les premiers moments de l’immersion. Le comportement global du défaut dépend fortement de l’hydrodynamique du puits et des caractéristiques de l’inclusion.Pour étudier la dissolution expérimentalement, des défautssynthétiques (hard-α et HDI) ont été immergés dans un bain de titane liquide chauffé dans un four à bombardement électronique. Les vitesses de dissolution ont été déterminées en mesurant les dimensions des défauts avant et après les expériences et ont été ensuite utilisées pour valider les modèles numériques. Par ailleurs, nous avons mis en évidence la grande influence de la température et de la vitesse de l’écoulement sur les cinétiques de dissolution / The presence of exogeneous inclusions has always been a major concern for the titanium industry. To help improve the inclusional cleanliness of VAR (Vacuum Arc Remelting) titanium ingots, a numerical and experimental study was undertaken.The numerical model is capable of predicting the motion and dissolution of a hard-α defect falling from the electrode tip into the ingot melt pool during vacuum arc remelting. It is implemented in SOLAR, a CFD code that simulates the ingot growth and solidification. The dissolution of the inclusion is governed by nitrogen diffusion from the defect towards the surrounding molten metal. A model describing this phenomenon predicts the particle size evolution and the nitrogen profile at each moment. The motion of the spherical particle is tracked using a Lagrangian model and the influence of turbulence is accounted for by a modification of the drag coefficient.Results show that inclusion removal is difficult with a single melt since the growth of a β-phase layer leads to an initial increase in the defect size. The inclusion behaviour is highly dependent on the pool hydrodynamics and on inclusion characteristics.In order to clarify dissolution aspects of these defects and to measure their dissolution kinetics, synthetically processed defects were introduced into molten titanium heated in an electron beam melting furnace. Dissolution rates were calculated by measuring the size of the defects before and after the experiments and the results were used to validate the numerical models. Furthermore, the experiments show that dissolution kinetics highly depend on fluid motion and temperature

Background: Clonal competition in cancer describes the process in which the progeny of a cell clone supersedes or succumbs to other competing clones due to differences in their functional characteristics, mostly based on subsequently acquired mutations. Even though the patterns of those mutations are well explored in many tumors, the dynamical process of clonal selection is underexposed. Methods: We studied the dynamics of clonal competition in a BcrAbl-induced leukemia using a γ-retroviral vector library encoding the oncogene in conjunction with genetic barcodes. To this end, we studied the growth dynamics of transduced cells on the clonal level both in vitro and in vivo in transplanted mice. Results: While we detected moderate changes in clonal abundancies in vitro, we observed monoclonal leukemias in 6/30 mice after transplantation, which intriguingly were caused by only two different BcrAbl clones. To analyze the success of these clones, we applied a mathematical model of hematopoietic tissue maintenance, which indicated that a differential engraftment capacity of these two dominant clones provides a possible explanation of our observations. These findings were further supported by additional transplantation experiments and increased BcrAbl transcript levels in both clones. Conclusion: Our findings show that clonal competition is not an absolute process based on mutations, but highly dependent on selection mechanisms in a given environmental context.

Background: Clonal competition in cancer describes the process in which the progeny of a cell clone supersedes or succumbs to other competing clones due to differences in their functional characteristics, mostly based on subsequently acquired mutations. Even though the patterns of those mutations are well explored in many tumors, the dynamical process of clonal selection is underexposed. Methods: We studied the dynamics of clonal competition in a BcrAbl-induced leukemia using a γ-retroviral vector library encoding the oncogene in conjunction with genetic barcodes. To this end, we studied the growth dynamics of transduced cells on the clonal level both in vitro and in vivo in transplanted mice. Results: While we detected moderate changes in clonal abundancies in vitro, we observed monoclonal leukemias in 6/30 mice after transplantation, which intriguingly were caused by only two different BcrAbl clones. To analyze the success of these clones, we applied a mathematical model of hematopoietic tissue maintenance, which indicated that a differential engraftment capacity of these two dominant clones provides a possible explanation of our observations. These findings were further supported by additional transplantation experiments and increased BcrAbl transcript levels in both clones. Conclusion: Our findings show that clonal competition is not an absolute process based on mutations, but highly dependent on selection mechanisms in a given environmental context.

The main point of this thesis is the extension of the complex solar radiation simulator, the creation of new functionalities, and the cooperation of this complex simulator with the PV power plant. This work builds on the work done in the area of solar radiation modeling. The thesis deals with the continuation, or improvement of some shortcomings, removing shortcomings, such as fixing the beginnings and ends of the simulation, correcting the calculation of sunrise and sunset, but also adding different types of clouds, combinations of different preset cloud situations, or data input, and more. These deficiencies are found in the bachelor's thesis "Complex Simulator of the solar irradiance", and PSCAD is the main tool in this work. Another important point of this work is the realization of the simulation where an improved solar radiation simulator works in cooperation with a model of a photovoltaic panel or a PV power plant, respectively. It has different operating states created in PSCAD. These include, for example, cloud crossings, both over the entire power plant and only partial. In addition, there are experiments that prove the fact that the direction of the incoming cloud plays a role in the power of the PV power plant.