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).

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.

Cette thèse porte sur la simulation numérique de modèles couplés pour l'écoulement et le transport dans les milieux poreux. Nous présentons une nouvelle méthode de couplage entre les réactions chimiques et le transport en utilisant une méthode de Newton-Krylov, et nous étudions également un modèle d'écoulement en milieu fracturé qui traite l'intersection des fractures par une méthode de décomposition de domaine. <br /> Ce travail est divisé en trois parties : la première partie contient une analyse de différents schémas numériques pour la discrétisation des problèmes d'advection-diffusion, notamment par une technique de séparation d'opérateurs, ainsi que leur mise en oeuvre informatique, dans un code industriel.<br /> La deuxième partie, qui est la contribution majeure de cette thèse, est consacrée à la modélisation et à l'implémentation d'une méthode de couplage globale pour le transport réactif. Le système couplé transport-chimie est décrit, après discrétisation en temps, par un système d'équations non linéaires. La taille du système sous-jacent, à savoir le nombre de points de grille multiplié par le nombre d'espèces chimiques, interdit la résolution du système linéaire par une méthode directe. Pour remédier à cette difficulté, nous utilisons une méthode de Newton-Krylov qui évite de former et de factoriser la matrice Jacobienne. <br /> Dans la dernière partie, nous présentons un modèle d'écoulement dans un milieu fracturé tridimensionnel, basé sur une méthode de décomposition de domaine, et qui traite l'intersection des fractures. Nous démontrons l'existence et l'unicité de la solution, et nous validons le modèle par des tests numériques.

Our understanding of tephra depositional processes is significantly improved by high-resolution ground-penetrating radar (GPR) data collected at Cerro Negro volcano, Nicaragua. The data reveal three depositional regimes: (1) a near-vent region on the cone itself, where 10 GPR radargrams collected on the western flank show quantifiable differences between facies formed from low energy normal Strombolian and higher energy violent Strombolian processes, indicating imaging of scoria cone deposits may be useful in distinguishing eruptive style in older cones where the proximal to distal tephra blanket has eroded away; (2) a proximal zone in which horizons identified in crosswind profiles collected at distances of 700 and 1,000 m from the vent exhibit Gaussian distributions with a high degree of statistical confidence, with tephra thickness decreasing exponentially downwind from the cone base (350 m) to ~ 1,200 m from the vent, and where particles fall from a height of less than ~2 km; and (3) a medial zone, in which particles fall from ~4 to 7 km and the deposit is thicker than expected based on thinning trends observed in the proximal zone of the deposit, indicating a transition from sedimentation dominated by fallout from plume margins to that dominated by fallout from the buoyant eruption cloud. Horizons identified in a crosswind profile at 1600 m from vent exhibit Gaussian distributions, again with high degrees of statistical confidence. True diffusion coefficients are calculated from Gaussian fits of crosswind profiles and do not show any statistical variation between zones (2) and (3). Data display thinning trends that agree with the morphology predicted by the advection-diffusion equation to a high degree of statistical confidence, validating the use of this class of models in tephra forecasting. One such model, the Tephra2 model, is reformulated for student use. A strategy is presented for utilizing this research-caliber model to introduce university undergraduates to key concepts in model literacy, encouraging students to develop a deeper understanding of the applicability and limitations of hazard models generally. For this purpose, the Tephra2 numerical model is implemented on the VHub.org website, a venture in cyberinfrastructure that brings together volcanological models and educational materials, and provides students with the ability to explore and execute sophisticated numerical models like Tephra2.

An initial-value problem consists of an ordinary differential equation subject to an initial condition. The right-hand side of the differential equation can be interpreted as additively split when it is comprised of the sum of two or more contributing factors. For instance, the right-hand sides of initial-value problems derived from advection-diffusion-reaction equations are comprised of the sum of terms emanating from three distinct physical processes: advection, diffusion, and reaction. In some cases, solutions to initial-value problems can be calculated analytically, but when an analytic solution is unknown or nonexistent, methods of numerical integration are used to calculate solutions. The runtime performance of numerical methods is problem dependent; therefore, one must choose an appropriate numerical method to achieve favourable performance, according to characteristics of the problem. Additive methods of numerical integration apply distinct methods to the distinct contributing factors of an additively split problem. Treating the contributing factors with methods that are known to perform well on them individually has the potential to yield an additive method that outperforms single methods applied to the entire (unsplit) problem. Splittings of the right-hand side can be physics-based, i.e., based on physical characteristics of the problem, such as advection, diffusion, or reaction terms. Splittings can also be based on linearization, called Jacobian splitting in this thesis, where the linearized part of the problem is treated with one method and the rest of the problem is treated with another. A comparison of these splitting techniques is performed by applying a set of additive methods to a test suite of problems. Many common non-additive methods are also included to serve as a performance baseline. To perform this numerical study, a problem-solving environment was developed to evaluate permutations of problems, methods, and their associated parameters. The test suite is comprised of several distinct advection-diffusion-reaction equations that have been chosen to represent a wide range of common problem characteristics. When solving split problems in the test suite, it is found that additive Runge–Kutta methods of orders three, four, and five using Jacobian splitting generally outperform those same methods using physics-based splitting. These results provide evidence that Jacobian splitting is an effective approach when solving such initial-value problems in practice.

A presente dissertação apresenta uma análise da presença de componentes estocásticas na equação de advecção-difusão, e como estas influenciam a estabilidade da solução. Para tal, a equação de advecção-difusão determinística com fonte contínua idealizada é resolvida através da transformada de Fourier. Adiante, a equação determinística é combinada com componentes estocásticas na velocidade do vento, comprimento de rugosidade e coeficiente de difusão turbulenta vertical. Além disso, é considerada uma permeabilidade parcial nos contornos verticais, de modo que parte do poluente ultrapassa a camada limite atmosférica ou o solo, e outra parte reflete e retorna `a atmosfera. Os resultados obtidos foram validados com os dados do experimento de Hanford. / The present work presents an analysis of the presence of stochastic components in the advection-diffusion equation and how they influence the stability of the solution. For this purpose, the deterministic advection-diffusion equation with idealized continuous source is solved by Fourier transform. Further, the deterministic equation is combined with stochastic components in the wind speed, the roughness and the vertical eddy diffusion coefficient. Moreover, partial permeability is considered in the vertical contours, in the sense that part of the pollutant leaks out of the atmospheric boundary layer or into the soil, and a part is reflected back into the atmosphere. Results were validated with the Hanford experimental data.

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).

Questões ambientais estão no centro das discussões nas últimas décadas. A poluição atmosférica, causada pela expansão pós-revolução industrial fez surgir a necessidade de aprender a descrever, usando modelos matemáticos, esse fenômeno. Com esse conhecimento pode-se propor soluções que mitiguem a poluição e os danos colaterais causados ao ambiente. A dispersão de poluentes modelada por soluções analíticas, a partir das equações de advecção-difusão oferecem um conhecimento sobre cada componente que constrói a equação, característica inexistente em outras abordagens, como a numérica. Entretanto ela era incapaz de descrever propriedades que se referem à turbulência, as estruturas coerentes, causadas por componentes não-lineares suprimidas por construção das equações governantes do modelo. Este trabalho estudou uma forma de recuperar características associadas à turbulência através de uma componente fundamental em estruturas coerentes, a fase. Essa é incluída no modelo que passa a descrever manifestações da turbulência em processos de dispersão através de flutuações de pequena escala na concentração da solução do modelo sesquilinear, que é determinístico-estocástico. No decorrer do trabalho há um estudo através de variações de parâmetros para compreender os efeitos da fase no modelo. Ele também foi aplicado ao experimento de Copenhagen e a dois cenários reais com a intenção de compreender o modelo frente à variáveis micrometeorológicas assim como aprimorá-lo para simular a dispersão de poluentes oriundos de fontes de forma realística. / Environmental issues have been at the center of discussions in the last few decades. Atmospheric pollution, caused by post-industrial revolution, has increased the necessity to describe, using mathematical models, this phenomenon. With this knowledge is possible to propose solutions mitigating the pollution and collateral damages caused in the environment. The pollutant dispersion modeled by analytical solutions, from advection-diffusion equations, offers a knowledge about each component that constructs the equation, a characteristic that does not exist in other approaches, such as numerical. However it was unable to describe properties that refer to turbulence, coherent structures, caused by nonlinear components suppressed by constructing the model governing equations. This work studied a way to recover characteristics associated with turbulence through a fundamental component in coherent structures, the phase. This is included in the model which describes manifestations of turbulence in the dispersion process through the presence of small-scale concentration fluctuations in the sesquilinear model, which is deterministicstochastic. In the course of this work there is a study through variations of parameters to understand the phase effects in the model. It was also applied to Copenhagen experiment and to two real scenarios with the intention of understanding the model regarding micrometeorological variables as well as improving it to simulate the pollutant dispersion from sources in a realistic way.

We study heat transfer in one dimension with and without convection, also called advection-diffusion. This is done using the Finite Element Method (FEM) to discretise the mathematical model, i.e. the heat equation. The results are compared to analytic Fourier series solutions. Our main result is that the FEM could be used to better model the heat transfer which allow for more accurate models than today's use of steady state models.

A presente dissertação apresenta uma análise da presença de componentes estocásticas na equação de advecção-difusão, e como estas influenciam a estabilidade da solução. Para tal, a equação de advecção-difusão determinística com fonte contínua idealizada é resolvida através da transformada de Fourier. Adiante, a equação determinística é combinada com componentes estocásticas na velocidade do vento, comprimento de rugosidade e coeficiente de difusão turbulenta vertical. Além disso, é considerada uma permeabilidade parcial nos contornos verticais, de modo que parte do poluente ultrapassa a camada limite atmosférica ou o solo, e outra parte reflete e retorna `a atmosfera. Os resultados obtidos foram validados com os dados do experimento de Hanford. / The present work presents an analysis of the presence of stochastic components in the advection-diffusion equation and how they influence the stability of the solution. For this purpose, the deterministic advection-diffusion equation with idealized continuous source is solved by Fourier transform. Further, the deterministic equation is combined with stochastic components in the wind speed, the roughness and the vertical eddy diffusion coefficient. Moreover, partial permeability is considered in the vertical contours, in the sense that part of the pollutant leaks out of the atmospheric boundary layer or into the soil, and a part is reflected back into the atmosphere. Results were validated with the Hanford experimental data.