Simulação computacional de materiais bidimensionais: funcionalização de defeitos extensos no grafeno e retenção de contaminantes por argilominerais

In this work are considered two bidimensional systems, with distints chacacteristcs and applicabilitys. Is studied the adsorption of transition metals (MT) Fe, Co, Mn and Ru in extended defects, formed by graphene grain boundaries. First in pristine graphene The hollow site of carbon hexagon, in pristine graphene, are the most stable for MT adsorption. The Dirac cone in eletronic structure of graphene was manteined with the presence of MT. For the considered grain boundaries the MT has a greater stability for absorption in the grain boundaries sites in comparison with pristine graphene. Through the energy barrier values, are observed diffusion chanels for MT localized on the grain boundaries. This diffusion chanels indicate a possible formation of nanolines of MT in graphene. For the first stage of the nanolines, ate observed a better stability for the system with greater MT concentration, due to MT-MT interactions. Also, due to the magnetic moment of the MT, the nanolines show a magnetization. For the most stable configurations the system are metallics, particularly for Fe the band structure indicates an anisotropic spin current. In a second study, are considereted the retention capacity for metallic contaminants Cd and Hg in clayminerals, kaolinite (KAO) and montmorillonite (MMT). Through the adsorption energies of contaminantes in the clayminerals, was observed a increase in stability with the increase of contaminants concentration, due to the interaction Cd-Cd and Hg-Hg. Also, was observed that KAO has a strong interaction beteween monolayers than MMT. In this sence, for the adsoption process of contaminantes in the natural form of KAO and MMT, the latter has a better retention capacity, due to the small net work for contaminant intercalation. However, when the modification of clayminerals, with molecules that increase the spacing between monolayers, exist a optimal condition, which the contaminant absorption are more stable in KAO system than in MMT. In the Langmuir adsorption model for the clayminerals in the optimal monolayer spacing, the retention capacity for Cd and Hg in KAO system are 21% greater than in MMT system. Also, for the X-ray Absorption Near Edge Spectroscopy (XANES) for the K edge of Cd and Hg, are found a positive shift of absorption edge with the decreasing of monolayer spacing. This result indicates a possible way to determine the concentration of adsorbed contaminats in relation to unabsorbed ones, from the decomposition of experimental XANES in the obteined spectras.

Estudo comparativo de dois conversores Boost quadrático com comutação suave monochaveados para aplicação de rastreamento de máxima potência em sistemas fotovoltaicos

This paper makes a comparative study of two Soft Single Switched Quadratic Boost Converters (SSS1 and SSS2) focused on Maximum Power Point Tracking (MPPT) of a PV array using Perturb and Observe (P&O) algorithm. The proposed converters maintain the static gain characteristics and dynamics of the original converter with the advantage of considerably reducing the switching losses and Electromagnetic Interference (EMI). It is displayed the input voltage Quadratic Boost converter modeling; qualitative and quantitative analysis of soft switching converters, defining the operation principles, main waveforms, time intervals and the state variables in each operation steps, phase planes of resonant elements, static voltage gain expressions, analysis of voltage and current efforts in semiconductors and the operational curves at 200 W to 800 W. There are presented project of PI, PID and PID + Notch compensators for MPPT closed-loop system and resonant elements design. In order to analyze the operation of a complete photovoltaic system connected to the grid, it was chosen to simulate a three-phase inverter using the P-Q control theory of three-phase instantaneous power. Finally, the simulation results and experimental with the necessary comparative analysis of the proposed converters will be presented.

Análise do custo-benefício de sistemas de cobertas em edificações comerciais para o clima de Natal/RN visando eficiência energética

This research consists in studying the influence of the various type of construction systems of roofs with their energy efficiency as well as on the cost benefit for the commercial buildings on the temperatures condition of the city of Natal/RN. The main goal of this research is to analyze the cost benefit of the construction systems of roofs available on the market, taking into consideration the energy efficiency of the commercial buildings artificially air conditioned in order to be used by the projectors and to be adequated to the temperatures condition of the city of Natal/RN. The method of valuation of the cost benefit of roof systems consists in six steps: Features and simulation of the reference building; Analyze of sensitivity; Analyzes, features and simulation of alternatives of roof construction systems; Analyze of the cost of implementation; Analyze of the benefits of the alternatives comparing to the base case; And finally the analyze of the cost benefit. The model type chosen as reference was stores with pre molded buildings and system of roof with fiber ciment and ceiling . The thermal results showed the influence of the roof system on the energy efficiency of the building. The Final results of the simulations of the alternatives comes to a conclusion that the absortance is the variable that presents the best cost benefit relation and the reduction on the thermal transmittance still has limitations because of the high cost

Utilização de um aplicativo de simulação computacional na avaliação de desempenho térmico de protótipo de habitação de interesse social (his)

This Masters Degree dissertation seeks to make a comparative study of internal air temperature data, simulated through the thermal computer application DesignBuilder 1.2, and data registered in loco through HOBO® Temp Data Logger, in a Social Housing Prototype (HIS), located at the Central Campus of the Federal University of Rio Grande do Norte UFRN. The prototype was designed and built seeking strategies of thermal comfort recommended for the local climate where the study was carried out, and built with panels of cellular concrete by Construtora DoisA, a collaborator of research project REPESC Rede de Pesquisa em Eficiência Energética de Sistemas Construtivos (Research Network on Energy Efficiency of Construction Systems), an integral part of Habitare program. The methodology employed carefully examined the problem, reviewed the bibliography, analyzing the major aspects related to computer simulations for thermal performance of buildings, such as climate characterization of the region under study and users thermal comfort demands. The DesignBuilder 1.2 computer application was used as a simulation tool, and theoretical alterations were carried out in the prototype, then they were compared with the parameters of thermal comfort adopted, based on the area s current technical literature. Analyses of the comparative studies were performed through graphical outputs for a better understanding of air temperature amplitudes and thermal comfort conditions. The data used for the characterization of external air temperature were obtained from the Test Reference Year (TRY), defined for the study area (Natal-RN). Thus the author also performed comparative studies for TRY data registered in the years 2006, 2007 and 2008, at weather station Davis Precision Station, located at the Instituto Nacional de Pesquisas Espaciais INPE-CRN (National Institute of Space Research), in a neighboring area of UFRN s Central Campus. The conclusions observed from the comparative studies performed among computer simulations, and the local records obtained from the studied prototype, point out that the simulations performed in naturally ventilated buildings is quite a complex task, due to the applications limitations, mainly owed to the complexity of air flow phenomena, the influence of comfort conditions in the surrounding areas and climate records. Lastly, regarding the use of the application DesignBuilder 1.2 in the present study, one may conclude that it is a good tool for computer simulations. However, it needs some adjustments to improve reliability in its use. There is a need for continued research, considering the dedication of users to the prototype, as well as the thermal charges of the equipment, in order to check sensitivity

Uma abordagem evolucionária e espacial para o jogo da autorregulação de processos de trocas sociais em sistemas multiagentes

Interações sociais são frequentemente descritas como trocas sociais. Na literatura, trocas sociais em Sistemas Multiagentes são objeto de estudo em diversos contextos, nos quais as relações sociais são interpretadas como trocas sociais. Dentre os problemas estudados, um problema fundamental discutido na literatura e a regulação¸ ao de trocas sociais, por exemplo, a emergência de trocas equilibradas ao longo do tempo levando ao equilíbrio social e/ou comportamento de equilíbrio/justiça. Em particular, o problema da regulação de trocas sociais e difícil quando os agentes tem informação incompleta sobre as estratégias de troca dos outros agentes, especificamente se os agentes tem diferentes estratégias de troca. Esta dissertação de mestrado propõe uma abordagem para a autorregulacao de trocas sociais em sistemas multiagentes, baseada na Teoria dos Jogos. Propõe o modelo de Jogo de Autorregulacão ao de Processos de Trocas Sociais (JAPTS), em uma versão evolutiva e espacial, onde os agentes organizados em uma rede complexa, podem evoluir suas diferentes estratégias de troca social. As estratégias de troca são definidas através dos parâmetros de uma função de fitness. Analisa-se a possibilidade do surgimento do comportamento de equilíbrio quando os agentes, tentando maximizar sua adaptação através da função de fitness, procuram aumentar o numero de interações bem sucedidas. Considera-se um jogo de informação incompleta, uma vez que os agentes não tem informações sobre as estratégias de outros agentes. Para o processo de aprendizado de estratégias, utiliza-se um algoritmo evolutivo, no qual os agentes visando maximizar a sua função de fitness, atuam como autorregulares dos processos de trocas possibilitadas pelo jogo, contribuindo para o aumento do numero de interações bem sucedidas. São analisados 5 diferentes casos de composição da sociedade. Para alguns casos, analisa-se também um segundo tipo de cenário, onde a topologia de rede é modificada, representando algum tipo de mobilidade, a fim de analisar se os resultados são dependentes da vizinhança. Alem disso, um terceiro cenário é estudado, no qual é se determinada uma política de influencia, quando as medias dos parâmetros que definem as estratégias adotadas pelos agentes tornam-se publicas em alguns momentos da simulação, e os agentes que adotam a mesma estratégia de troca, influenciados por isso, imitam esses valores. O modelo foi implementado em NetLogo.

Simulação computacional como ferramenta de auxílio ao projeto: aplicação em edifícios naturalmente ventilados no clima de Natal/RN

Natural air ventilation is the most import passive strategy to provide thermal comfort in hot and humid climates and a significant low energy strategy. However, the natural ventilated building requires more attention with the architectural design than a conventional building with air conditioning systems, and the results are less reliable. Therefore, this thesis focuses on softwares and methods to predict the natural ventilation performance from the point of view of the architect, with limited resource and knowledge of fluid mechanics. A typical prefabricated building was modelled due to its simplified geometry, low cost and occurrence at the local campus. Firstly, the study emphasized the use of computational fluid dynamics (CFD) software, to simulate the air flow outside and inside the building. A series of approaches were developed to make the simulations possible, compromising the results fidelity. Secondly, the results of CFD simulations were used as the input of an energy tool, to simulate the thermal performance under different rates of air renew. Thirdly, the results of temperature were assessed in terms of thermal comfort. Complementary simulations were carried out to detail the analyses. The results show the potentialities of these tools. However the discussions concerning the simplifications of the approaches, the limitations of the tools and the level of knowledge of the average architect are the major contribution of this study

Simulação numérica do escoamento monofásico em uma bomba centrífuga radial

Centrifugal pumps are vastly used in many industrial applications. Knowledge of how these components behave in several circumstances is crucial for the development of more efficient and, therefore, less expensive pumping installations. The combination of multiple impellers, vaned diffusers and a volute might introduce several complex flow characteristics that largely deviate from regular inviscid pump flow theory. Computational Fluid Dynamics can be very helpful to extract information about which physical phenomena are involved in such flows. In this sense, this work performs a numerical study of the flow in a two-stage centrifugal pump (Imbil ITAP 65-330/2) with a vaned diffuser and a volute. The flow in the pump is modeled using the software Ansys CFX, by means of a multi-block, transient rotor-stator technique, with structured grids for all pump parts. The simulations were performed using water and a mixture of water and glycerin as work fluids. Several viscosities were considered, in a range between 87 and 720 cP. Comparisons between experimental data obtained by Amaral (2007) and numerical head curves showed a good agreement, with an average deviation of 6.8% for water. The behavior of velocity, pressure and turbulence kinetic energy fields was evaluated for several operational conditions. In general, the results obtained by this work achieved the proposed goals and are a significant contribution to the understanding of the flow studied.

Modelo para gestionar el conocimiento en el sector textil de Medellín, empleando dinámica de sistemas

Este artículo evalúa la relación de causalidad entre la gestión del conocimiento y las capacidades de innovación tecnológica, y el efecto de esta relación sobre los resultados operacionales del sector textil en la ciudad de Medellín. Se empleó la metodología de dinámica de sistemas, con simulación de esce­narios para valorar las condiciones actuales de las organizaciones del sector en términos de acumulación de conocimiento y capacidades. La información se obtuvo mediante entrevistas a expertos y acceso a información especializada del sector. Se evidencia que una mejora de la relación entre la gestión del conocimiento e innovación tecnológica genera un incremento aproximado del 15% en los ingresos operacionales del sector. Asimismo, se encontró que a medida que las variables comunes de interés (Es­trategias organizacionales, canales de comunicación, formación, cultura, acciones de fortalecimiento en I+D), se acercan a los valores deseados, la acumulación de conocimiento y de capacidades de innovación tecnológica alcanzan los valores objetivos.

Adaptação do paradigma orientado a notificações para desenvolvimento de sistemas fuzzy

This work proposes to adjust the Notification Oriented Paradigm (NOP) so that it provides support to fuzzy concepts. NOP is inspired by elements of imperative and declarative paradigms, seeking to solve some of the drawbacks of both. By decomposing an application into a network of smaller computational entities that are executed only when necessary, NOP eliminates the need to perform unnecessary computations and helps to achieve better logical-causal uncoupling, facilitating code reuse and application distribution over multiple processors or machines. In addition, NOP allows to express the logical-causal knowledge at a high level of abstraction, through rules in IF-THEN format. Fuzzy systems, in turn, perform logical inferences on causal knowledge bases (IF-THEN rules) that can deal with problems involving uncertainty. Since PON uses IF-THEN rules in an alternative way, reducing redundant evaluations and providing better decoupling, this research has been carried out to identify, propose and evaluate the necessary changes to be made on NOP allowing to be used in the development of fuzzy systems. After that, two fully usable materializations were created: a C++ framework, and a complete programming language (LingPONFuzzy) that provide support to fuzzy inference systems. From there study cases have been created and several tests cases were conducted, in order to validate the proposed solution. The test results have shown a significant reduction in the number of rules evaluated in comparison to a fuzzy system developed using conventional tools (frameworks), which could represent an improvement in performance of the applications.

Modelização de sistemas de gestão de energia em ambiente

Este trabalho propõe uma metodologia de tradução para igualar o programa de controle de PLC no ambiente Matlab/Simulink. A lista traduz automaticamente o programa de controlo de PLC para a linguagem. de software Matlab/Simulink. O programa do PlC é traduzido para uma função bloco do Matlab, dentro do ambiente Matlab/Simulink, que irá controlar o modelo do processo industrial, desde que a simulação seja executada. As entradas e saídas da lista de tradução do PLC depende do tipo de autómato que é escolhido. A lista de tradução será compatível com um ficheiro Matlab/Simulink que corresponde tradução de programa de controle de PLC. ABSTRACT: This work proposes a translation methodology to equa1 the program of control of PLC in the environment Matlab/Simulink. The list translates automatically the program of control of PLC for the language of software Matlab/Simulink. The program of the PlC is translated for a function block of the Matlab, inside the environment Matlab/Simulink, which will be going to control the model of the industrial process, since the simulation is executed. The entries and exits of the translation list of the PLC it depends on the type of automaton that is chosen. The translation list will be compatible with a filing cabinet Matlab/Simulink that corresponds translation of program of control of PLC.

Análise do custo-benefício de sistemas de cobertas em edificações comerciais para o clima de Natal/RN visando eficiência energética

This research consists in studying the influence of the various type of construction systems of roofs with their energy efficiency as well as on the cost benefit for the commercial buildings on the temperatures condition of the city of Natal/RN. The main goal of this research is to analyze the cost benefit of the construction systems of roofs available on the market, taking into consideration the energy efficiency of the commercial buildings artificially air conditioned in order to be used by the projectors and to be adequated to the temperatures condition of the city of Natal/RN. The method of valuation of the cost benefit of roof systems consists in six steps: Features and simulation of the reference building; Analyze of sensitivity; Analyzes, features and simulation of alternatives of roof construction systems; Analyze of the cost of implementation; Analyze of the benefits of the alternatives comparing to the base case; And finally the analyze of the cost benefit. The model type chosen as reference was stores with pre molded buildings and system of roof with fiber ciment and ceiling . The thermal results showed the influence of the roof system on the energy efficiency of the building. The Final results of the simulations of the alternatives comes to a conclusion that the absortance is the variable that presents the best cost benefit relation and the reduction on the thermal transmittance still has limitations because of the high cost

Utilização de um aplicativo de simulação computacional na avaliação de desempenho térmico de protótipo de habitação de interesse social (his)

This Masters Degree dissertation seeks to make a comparative study of internal air temperature data, simulated through the thermal computer application DesignBuilder 1.2, and data registered in loco through HOBO® Temp Data Logger, in a Social Housing Prototype (HIS), located at the Central Campus of the Federal University of Rio Grande do Norte UFRN. The prototype was designed and built seeking strategies of thermal comfort recommended for the local climate where the study was carried out, and built with panels of cellular concrete by Construtora DoisA, a collaborator of research project REPESC Rede de Pesquisa em Eficiência Energética de Sistemas Construtivos (Research Network on Energy Efficiency of Construction Systems), an integral part of Habitare program. The methodology employed carefully examined the problem, reviewed the bibliography, analyzing the major aspects related to computer simulations for thermal performance of buildings, such as climate characterization of the region under study and users thermal comfort demands. The DesignBuilder 1.2 computer application was used as a simulation tool, and theoretical alterations were carried out in the prototype, then they were compared with the parameters of thermal comfort adopted, based on the area s current technical literature. Analyses of the comparative studies were performed through graphical outputs for a better understanding of air temperature amplitudes and thermal comfort conditions. The data used for the characterization of external air temperature were obtained from the Test Reference Year (TRY), defined for the study area (Natal-RN). Thus the author also performed comparative studies for TRY data registered in the years 2006, 2007 and 2008, at weather station Davis Precision Station, located at the Instituto Nacional de Pesquisas Espaciais INPE-CRN (National Institute of Space Research), in a neighboring area of UFRN s Central Campus. The conclusions observed from the comparative studies performed among computer simulations, and the local records obtained from the studied prototype, point out that the simulations performed in naturally ventilated buildings is quite a complex task, due to the applications limitations, mainly owed to the complexity of air flow phenomena, the influence of comfort conditions in the surrounding areas and climate records. Lastly, regarding the use of the application DesignBuilder 1.2 in the present study, one may conclude that it is a good tool for computer simulations. However, it needs some adjustments to improve reliability in its use. There is a need for continued research, considering the dedication of users to the prototype, as well as the thermal charges of the equipment, in order to check sensitivity

Deteção de náufragos com sistemas sonar em UUV’s

Na Marinha Portuguesa, o emprego de Unmanned Underwater Vehicles (UUV) tem uma utilização muito limitada, restringe-se unicamente à deteção de minas. Contudo, com a evolução tecnológica e científica, o seu uso poderá estar a um passo de ser usado em outras vertentes cuja aplicabilidade ainda não foi explorada. Nesta linha de pensamento, surgiu o projeto ICARUS (Integrated Components for Assisted Rescue and Unmanned Search operations), que visa o desenvolvimento de veículos não tripulados para a busca e salvamento. O objetivo do mesmo, resume-se ao salvamento de náufragos com o recurso a UUV, promovendo assim uma eficiente gestão dos recursos, objetivo contemplado na diretiva de planeamento de marinha. Assim, com base no projeto desenvolvido nas teses do ano transato pelos ASPOF Maia da Fonseca e Ramos da Palma, pretende-se com a presente dissertação através de um sistema sonar instalado num UUV em modo upward looking, avaliar a viabilidade na deteção de um náufrago à deriva no mar através das suas leituras. Para tal recorre-se à simulação com o náufrago em diferentes posições e em ambientes mais adequados à realidade que é o mar. E, ainda a otimização das características que permitem a identificação do náufrago.

Modelação e simulação do aprovisionamento de refinarias de petróleo bruto

Mestrado em Matemática Aplicada à Economia e à Gestão

Análise paramétrica da simulação composicional do processo de Drenagem Gravitacional Assistida por Gás (GAGD)

In Brazil and around the world, oil companies are looking for, and expected development of new technologies and processes that can increase the oil recovery factor in mature reservoirs, in a simple and inexpensive way. So, the latest research has developed a new process called Gas Assisted Gravity Drainage (GAGD) which was classified as a gas injection IOR. The process, which is undergoing pilot testing in the field, is being extensively studied through physical scale models and core-floods laboratory, due to high oil recoveries in relation to other gas injection IOR. This process consists of injecting gas at the top of a reservoir through horizontal or vertical injector wells and displacing the oil, taking advantage of natural gravity segregation of fluids, to a horizontal producer well placed at the bottom of the reservoir. To study this process it was modeled a homogeneous reservoir and a model of multi-component fluid with characteristics similar to light oil Brazilian fields through a compositional simulator, to optimize the operational parameters. The model of the process was simulated in GEM (CMG, 2009.10). The operational parameters studied were the gas injection rate, the type of gas injection, the location of the injector and production well. We also studied the presence of water drive in the process. The results showed that the maximum vertical spacing between the two wells, caused the maximum recovery of oil in GAGD. Also, it was found that the largest flow injection, it obtained the largest recovery factors. This parameter controls the speed of the front of the gas injected and determined if the gravitational force dominates or not the process in the recovery of oil. Natural gas had better performance than CO2 and that the presence of aquifer in the reservoir was less influential in the process. In economic analysis found that by injecting natural gas is obtained more economically beneficial than CO2