O presente trabalho propõe um novo modelo para dispersão de poluentes na atmosfera, tal modelo foi idealizado no trabalho de dissertação da autora e continuou-se seu desenvolvimento nesta pesquisa. O modelo é baseado na solução semi-analítica da equação de advecção-difusão para emissão contínua, com resolução através do método de separação de variáveis e da transformada de Fourier. As condições de contorno são tratadas como infinitas reflexões do poluente no solo e no topo da camada limite atmosférica. Adiante, estas reflexões são utilizadas de modo parcial, na tentativa de considerar fenômenos da dispersão que não podem ser explicitados no modelo determinístico, de forma que os contornos podem ser entendidos como estocásticos, ou seja, pode-se interpretar os contornos como uma amostragem de uma distribuição. Além disso, é realizada uma otimização nos contornos parcialmente reflexivos, com o objetivo de desenvolver uma metodologia de otimização e determinar os valores ótimos para a reflexão parcial. Os resultados obtidos foram, primeiramente, comparados com os experimentos de Copenhagen e Hanford. Posteriormente, comparou-se o modelo com dados de concentração coletados em uma fábrica de celulose, a CMPC Celulose Riograndense. Simulou-se, também, a dispersão de poluentes emitidos por uma usina termelétrica no Brasil, que faz parte do programa de pesquisa e desenvolvimento tecnológico do setor de energia elétrica da Agência Nacional de Energia Elétrica (ANEEL). / The present work proposes a new model for pollutant dispersion in the atmosphere, this model was idealized in the dissertation work of the author and continued its development in this research. The model is based on the semi-analytic solution of the advectiondiffusion equation for continuous emission, with resolution through the method of separation of variables and the Fourier transform. The boundary conditions are treated as infinite reflections of the pollutant in the soil and at the top of the atmospheric boundary layer. These reflections are used in a partial way in the attempt to consider phenomena of dispersion that can not be explained in the deterministic model, so that the boundaries can be understood as stochastic, that is, one can interpret the boundaries as a sampling of a distribution. In addition, an optimization is performed in the partially reflective boundaries, with the purpose of developing an optimization methodology and determining the optimal values for the partial reflection. The results obtained were firstly compared with the experiments of Copenhagen and Hanford. Subsequently, the model was compared with concentration data collected at a cellulose production plant. The dispersion of pollutants emitted by a thermoelectric plant in Brazil was also simulated, which is part of the research and technological development program of the electric energy sector of the National Electric Energy Agency (ANEEL).

O presente trabalho aborda um problema inverso associado a difus~ao de calor em uma barra unidimensional. Esse fen^omeno e modelado por meio da equac~ao diferencial par- cial parabolica ut = uxx, conhecida como equac~ao de difus~ao do calor. O problema classico (problema direto) envolve essa equac~ao e um conjunto de restric~oes { as condic~oes inicial e de contorno {, o que permite garantir a exist^encia de uma soluc~ao unica. No problema inverso que estudamos, o valor da temperatura em um dos extremos da barra n~ao esta disponvel. Entretanto, conhecemos o valor da temperatura em um ponto x0 xo no interior da barra. Para aproximar o valor da temperatura no intervalo a direita de x0, propomos e testamos tr^es algoritmos de diferencas nitas: diferencas regressivas, leap-frog e diferencas regressivas maquiadas. / This work deals with an inverse problem for the heat diusion in a bar of size L. This one-dimensional phenomenum is modeled by the parabolic partial dierential equation ut = uxx, known as the heat diusion equation. The classic problem (Direct Problem) involves this equation coupled to a set of constraints { initial and boundary conditions { in such a way as to guarantee a unique solution for it. The inverse problem hereby considered may be described in the following way: at one bar extreme point the temperature is un- known, but it is given at a xed interior point for all time. Three nite dierence algorithms (backward dierences, leap-frog, disguised backward dierences) are proposed and tested to approximate solutions for this problem. Keywords: Diusion equation. Finite dierences. Inverse problem.

Wool scouring is the first stage of wool processing, where unwanted contaminants are removed from freshly shorn wool. In most scouring machines wool is fed as a continuous mat through a series of water-filled scour and rinse bowls which are periodically drained. The purpose of this project is to mathematically model the scour bowl with the aim of improving efficiency. In this thesis four novel models of contaminant concentration within a scour bowl are developed. These are used to investigate the relationships between the operating parameters of the machine and the concentration of contamination within the scour bowl. The models use the advection-diffusion equation to simulate the settling and mixing of contamination. In the first model considered here, the scour bowl is simulated numerically using finite difference methods. Previous models of the scouring process only considered the average steady-state concentration of contamination within the entire scour bowl. This is the first wool scouring model to look at the bowl in two dimensions and to give time dependent results, hence allowing the effect of different drainage patterns to be studied. The second model looks at the important region at the top of the bowl - where the wool and water mix. The governing equations are solved analytically by averaging the concentration vertically assuming the wool layer is thin. Asymptotic analysis on this model reveals some of the fundamental behaviour of the system. The third model considers the same region by solving the governing equations through separation of variables. A fourth, fully two-dimensional, time dependent model was developed and solved using a finite element method. A model of the swelling of grease on the wool fibres is also considered since some grease can only be removed from the fibre once swollen. The swelling is modelled as a Stefan problem, a nonlinear diffusion equation with two moving boundaries, in cylindrical coordinates. Both approximate, analytical and a numerical solutions are found.

Le but de la thèse est d'étudier l'homogénéisation d'équations de convection-diffusion singulières et de problèmes spectraux à poids indéfini. La thèse se compose de deux parties. La première partie contient des résultats qualitatifs et asymptotiques pour les solutions d'équations de type convection-diffusion stationnaires et instationnaires, qui sont définies dans des domaines bornés ou nonbornés. Les problèmes examinés comprennent des études qualitatives pour une équation elliptique avec des termes du premier ordre dans un cylindre semi-infini, l'homogénéisation de modèles de convection-diffusion dans des cylindres minces et une analyse asymptotique d'équations de convection-diffusion instationnaires avec un grand terme du premier ordre, posées dans un domaine borné. La deuxième partie de la thèse porte sur l'homogénéisation de problèmes spectraux à poids indéfini, pouvant changer de signe. On montre que le comportement asymptotique dépend essentiellement de la moyenne du poids, notamment si la moyenne est nulle ou non nulle. On construit alors le développement asymptotique du spectre dans les deux cas.

Mathematical models displaying travelling waves appear in a variety of domains. These waves are often faced with different kinds of perturbations. In some cases, these perturbations result in propagation failure, also known as wave-blocking. Wave-blocking has been studied in the case of several specific models, often with the help of numerical tools. In this thesis, we will display a technique that uses symmetry and a center manifold reduction to find a criterion which defines regions in parameter space where a wave will be blocked. We focus on waves with low velocity and small symmetry-breaking perturbations, which is where the blocking initiates; the organising center. The range of the tools used makes the technique easily generalizable to higher dimensions. In order to demonstrate this technique, we apply it to the bistable equation. This allows us to do calculations explicitly. As a result, we show that wave-blocking occurs inside a wedge originating from the organising center and derive an expression for this wedge to leading order. We verify our results with some numerical simulations.

Because current full‐core neutronic‐calculations use two‐group neutron diffusion and rely on homogenizing fuel assemblies, reconstructing pin powers from such a calculation is an elaborate and not very accurate process; one which becomes more difficult with increased core heterogeneity. A three‐dimensional Heterogeneous Finite Element Method (HFEM) is developed to address the limitations of current methods by offering fine‐group energy representation and fuel‐pin‐level spatial detail at modest computational cost. The calculational cost of the method is roughly equal to the calculational cost of the Finite Differences Method (FDM) using one mesh box per fuel assembly and a comparable number of energy groups. Pin‐level fluxes are directly obtained from the method’s results without the need for reconstruction schemes. / UOIT

This thesis presents the Differential Quadrature Method (DQM) for solving time-dependent or heat conduction problem. DQM discretizes the space derivatives giving a system of ordinary differential equations with respect to time and the fourth order Runge Kutta Method (RKM) is employed for solving this system. Stabilities of the ordinary differential equations system and RKM are considered and step sizes are arranged accordingly. The procedure is applied to several time dependent diffusion problems and the solutions are presented in terms of graphics comparing with the exact solutions. This method exhibits high accuracy and efficiency comparing to the other numerical methods.

Mathematical models displaying travelling waves appear in a variety of domains. These waves are often faced with different kinds of perturbations. In some cases, these perturbations result in propagation failure, also known as wave-blocking. Wave-blocking has been studied in the case of several specific models, often with the help of numerical tools. In this thesis, we will display a technique that uses symmetry and a center manifold reduction to find a criterion which defines regions in parameter space where a wave will be blocked. We focus on waves with low velocity and small symmetry-breaking perturbations, which is where the blocking initiates; the organising center. The range of the tools used makes the technique easily generalizable to higher dimensions. In order to demonstrate this technique, we apply it to the bistable equation. This allows us to do calculations explicitly. As a result, we show that wave-blocking occurs inside a wedge originating from the organising center and derive an expression for this wedge to leading order. We verify our results with some numerical simulations.

We consider a singularly perturbed reaction-diffusion problem and derive and rigorously analyse an a posteriori residual error estimator that can be applied to anisotropic finite element meshes. The quotient of the upper and lower error bounds is the so-called matching function which depends on the anisotropy (of the mesh and the solution) but not on the small perturbation parameter. This matching function measures how well the anisotropic finite element mesh corresponds to the anisotropic problem. Provided this correspondence is sufficiently good, the matching function is O(1). Hence one obtains tight error bounds, i.e. the error estimator is reliable and efficient as well as robust with respect to the small perturbation parameter. A numerical example supports the anisotropic error analysis.

A singularly perturbed reaction-diffusion model problem is considered, and the choice of an appropriate norm is discussed. Particular emphasis is given to the energy norm. Certain prejudices against this norm are investigated and disproved. Moreover, an adaptive finite element algorithm is presented which exhibits an optimal error decrease in the energy norm in some simple numerical experiments. This underlines the suitability of the energy norm.