Molecular simulation of gas adsorption equilibria in nanoporous materials

This work is divided into two distinct parts. The first part consists of the study of the metal organic framework UiO-66Zr, where the aim was to determine the force field that best describes the adsorption equilibrium properties of two different gases, methane and carbon dioxide. The other part of the work focuses on the study of the single wall carbon nanotube topology for ethane adsorption; the aim was to simplify as much as possible the solid-fluid force field model to increase the computational efficiency of the Monte Carlo simulations. The choice of both adsorbents relies on their potential use in adsorption processes, such as the capture and storage of carbon dioxide, natural gas storage, separation of components of biogas, and olefin/paraffin separations. The adsorption studies on the two porous materials were performed by molecular simulation using the grand canonical Monte Carlo (μ,V,T) method, over the temperature range of 298-343 K and pressure range 0.06-70 bar. The calibration curves of pressure and density as a function of chemical potential and temperature for the three adsorbates under study, were obtained Monte Carlo simulation in the canonical ensemble (N,V,T); polynomial fit and interpolation of the obtained data allowed to determine the pressure and gas density at any chemical potential. The adsorption equilibria of methane and carbon dioxide in UiO-66Zr were simulated and compared with the experimental data obtained by Jasmina H. Cavka et al. The results show that the best force field for both gases is a chargeless united-atom force field based on the TraPPE model. Using this validated force field it was possible to estimate the isosteric heats of adsorption and the Henry constants. In the Grand-Canonical Monte Carlo simulations of carbon nanotubes, we conclude that the fastest type of run is obtained with a force field that approximates the nanotube as a smooth cylinder; this approximation gives execution times that are 1.6 times faster than the typical atomistic runs.

Projeto para a criação de uma Biblioteca Digital dos Exércitos Português e Brasileiro

Este trabalho de investigação foi desenvolvido no âmbito do Mestrado em Ciências da Informação e Documentação, da Faculdade de Ciências Sociais e Humanas da Universidade Nova de Lisboa, na área de especialização de Biblioteconomia. Tem como principal objetivo elaborar um projeto de criação de uma Biblioteca Digital Militar dos Exército Português e Brasileiro. Com a criação desta biblioteca pretende-se aproveitar as potencialidades proporcionadas pelas novas tecnologias para facilitar o acesso a informação especializada de âmbito histórico-militar, em formato digital, para apoiar o ensino e a investigação de militares dos dois Exércitos. Contudo, sendo uma biblioteca digital os seus recursos ficarão disponíveis para todos os interessados nas temáticas militares, nomeadamente investigadores de outras áreas do conhecimento e para o público em geral. Consideramos pertinente e útil a criação de uma biblioteca com estas características na medida em que, partilhando Portugal e o Brasil uma história comum, existe um conjunto de documentos relevantes que estão apenas numa ou noutra Biblioteca o que dificulta a sua consulta pela distância física que as separa. Procurando reduzir esses constrangimentos propõe-se a criação de uma biblioteca digital, que permitirá não só facilitar o acesso a conteúdos informativos que podem contribuir para a produção de conhecimento nas temáticas militares como também para promover a Língua Portuguesa. Para que essa iniciativa se possa concretizar no presente trabalho de investigação são definidos os enquadramentos e os conceitos a adotar, as políticas de desenvolvimento e os planos de digitalização, os conteúdos das coleções, a forma como se irão organizar e como os leitores vão pesquisar e recuperar a informação. As opções tomadas no desenho da arquitetura desta biblioteca digital comum aos dois exércitos são fundamentadas na revisão de literatura adequada, na realização de entrevistas para recolher as opiniões de investigadores, diretores de cursos e decisores da estrutura militar e na análise de sítios web de Bibliotecas Digitais Militares de exércitos de países da NATO, para recolher boas práticas que possam ser replicadas.

Evaporation from porous building materials and its cooling potential

Evaporative cooling is a traditional strategy to improve summer comfort, which has gained renewed relevance in the context of the transition to a greener economy. Here, the potential for evaporative cooling of two common porous building materials, natural stone and ceramic brick, was evaluated. The work has relevance also to the protection of built heritage becauseevaporation underlies the problems of dampness and salt crystallization, which are so harmful and frequent in this heritage. It was observed that the drying rate of the materials is, in some cases, higher than the evaporation rate of a free water surface. Surface area measurements by a three-dimensional optical technique suggested, as probable cause of this behavior, that surface irregularity gives rise to a large effective surface of evaporation in the material. Surface temperature measurements by infrared were performed afterward during evaporation experiments outside during a hot summer day in Lisbon. Their results indicate that ordinary building materials can be very efficient evaporative media and, thus, may help in achieving higher energy efficiency while maintaining a simultaneous constructive or architectural function.

Development of new membranes based on ionic liquid materials for gas separation

In the field of energy, natural gas is an essential bridge to a clean, low carbon, renewable energy era. However, natural gas processing and transportation regulation require the removal of contaminant compounds such as carbon dioxide (CO2). Regarding clean air, the increasing atmospheric concentrations of greenhouse gases, specifically CO2, is of particular concern. Therefore, new costeffective, high performance technologies for carbon capture have been researched and the design of materials with the ability to efficiently separate CO2 from other gases is of vital importance.(...)

Biblioteca de Arte Inclusiva: Informação e Conhecimento Acessíveis aos Leitores com Deficiência Visual

O presente relatório descreve a atividade realizada na Biblioteca de Arte da Fundação Calouste Gulbenkian, no âmbito do Mestrado em Ciências da Informação e da Documentação, tendo por tema o acesso à informação pelos leitores com deficiência visual. Nele procura-se abordar que medidas têm sido tomadas para assegurar a integração destes leitores, tendo em vista alcançar a sua autonomia a nível de utilização dos serviços disponíveis. Nesse sentido, explicitam-se os conceitos inerentes a esta temática (biblioteca inclusiva e acessibilidade), destaca-se a importância da interação com outros utilizadores como forma de integração, refere-se a importância da cooperação interinstitucional, salienta-se o papel do bibliotecário e das tecnologias de informação e da comunicação, como meio de permitir ao deficiente visual aceder a um conjunto diversificado de serviços, através da utilização de equipamentos e software específicos. Através da aplicação de uma metodologia de pesquisa bibliográfica, observação direta e entrevista, efetua-se um estudo de caso com uma análise detalhada ao nível da acessibilidade física e dos recursos materiais assim como da atitude e preparação dos profissionais para lidar com a deficiência. Conclui-se que a Biblioteca de Arte deve continuar a investir na exploração de novos recursos e potencialidades, de modo a disponibilizar todo o tipo de meios humanos e tecnológicos para apoiar os leitores com deficiência visual, promovendo a sua inclusão e participação na sociedade da informação e do conhecimento.

De Cabo Verde para Lisboa: Cartas e Remessas Científicas da Expedição de João da Silva Feijó (1783-1796). Vol. II – Documentação da Biblioteca Nacional de Portugal e do Arquivo Histórico do Museu Nacional de História Natural e da Ciência da Universidade de Lisboa

Revisão botânica das tabelas de plantas, em Fevereiro de 2015, por Maria Cristina Duarte

The brushstroke and materials of Amadeo de Souza-Cardoso combined in an authentication tool

Nowadays, authentication studies for paintings require a multidisciplinary approach, based on the contribution of visual features analysis but also on characterizations of materials and techniques. Moreover, it is important that the assessment of the authorship of a painting is supported by technical studies of a selected number of original artworks that cover the entire career of an artist. This dissertation is concerned about the work of modernist painter Amadeo de Souza-Cardoso. It is divided in three parts. In the first part, we propose a tool based on image processing that combines information obtained by brushstroke and materials analysis. The resulting tool provides qualitative and quantitative evaluation of the authorship of the paintings; the quantitative element is particularly relevant, as it could be crucial in solving authorship controversies, such as judicial disputes. The brushstroke analysis was performed by combining two algorithms for feature detection, namely Gabor filter and Scale Invariant Feature Transform. Thanks to this combination (and to the use of the Bag-of-Features model), the proposed method shows an accuracy higher than 90% in distinguishing between images of Amadeo’s paintings and images of artworks by other contemporary artists. For the molecular analysis, we implemented a semi-automatic system that uses hyperspectral imaging and elemental analysis. The system provides as output an image that depicts the mapping of the pigments present, together with the areas made using materials not coherent with Amadeo’s palette, if any. This visual output is a simple and effective way of assessing the results of the system. The tool proposed based on the combination of brushstroke and molecular information was tested in twelve paintings obtaining promising results. The second part of the thesis presents a systematic study of four selected paintings made by Amadeo in 1917. Although untitled, three of these paintings are commonly known as BRUT, Entrada and Coty; they are considered as his most successful and genuine works. The materials and techniques of these artworks have never been studied before. The paintings were studied with a multi-analytical approach using micro-Energy Dispersive X-ray Fluorescence spectroscopy, micro-Infrared and Raman Spectroscopy, micro-Spectrofluorimetry and Scanning Electron Microscopy. The characterization of Amadeo’s materials and techniques used on his last paintings, as well as the investigation of some of the conservation problems that affect these paintings, is essential to enrich the knowledge on this artist. Moreover, the study of the materials in the four paintings reveals commonalities between the paintings BRUT and Entrada. This observation is supported also by the analysis of the elements present in a photograph of a collage (conserved at the Art Library of the Calouste Gulbenkian Foundation), the only remaining evidence of a supposed maquete of these paintings. The final part of the thesis describes the application of the image processing tools developed in the first part of the thesis on a set of case studies; this experience demonstrates the potential of the tool to support painting analysis and authentication studies. The brushstroke analysis was used as additional analysis on the evaluation process of four paintings attributed to Amadeo, and the system based on hyperspectral analysis was applied on the painting dated 1917. The case studies therefore serve as a bridge between the first two parts of the dissertation.

A biblioteca pública e a literacia da informação: estudo de caso de uma biblioteca da região Centro de Portugal

O objetivo desta dissertação é perceber o papel do profissional de biblioteca pública na promoção da literacia da informação, através do estudo de uma biblioteca municipal do NUTS II Região Centro, a Biblioteca Municipal António Botto. Para isso segue-se uma metodologia do estudo de caso, recolhendo-se à observação de páginas de internet, entrevistas semiestruturadas e análise de documentação para recolha de dados. No primeiro capítulo será feita uma revisão da literatura abordando o conceito de literacia da informação, o papel das bibliotecas públicas em relação a essa questão e a problematização da situação portuguesa. No segundo capítulo será explicada a metodologia usada. No terceiro capítulo será caracterizada a Biblioteca António Botto, através do concelho em que está situada, da sua história e das suas características. No quarto capítulo será feita uma análise interpretativa das suas atividades de promoção de literacia da informação, com destaque para a criação e gestão do Tutorial e do Espaço Criança, disponíveis na sua página da internet. Conclui-se que o profissional da informação desempenha um importante papel no incentivo à literacia da informação, desde que tenha ao seu dispor condições para alcançar esses objetivos.

Cellulose-based composites as functional conductive materials for printed electronics

In this work, cellulose-based electro and ionic conductive composites were developed for application in cellulose based printed electronics. Electroconductive inks were successfully formulated for screen-printing using carbon fibers (CFs) and multi-walled carbon nanotubes (MWCNTs) as conductive functional material and cellulose derivatives working as binder. The formulated inks were used to fabricate conductive flexible and disposable electrodes on paper-based substrates. Interesting results were obtained after 10 printing passes and drying at RT of the ink with 10 % wt. of pristine CFs and 3% wt. of carboxymethyl cellulose (CMC), exhibiting a resistivity of 1.03 Ωcm and a resolution of 400 μm. Also, a resistivity of 0.57 Ωcm was obtained for only one printing pass using an ink based on 0.5 % wt. MWCNTs and 3 % wt. CMC. It was also demonstrated that ionic conductive cellulose matrix hydrogel can be used in electrolyte-gated transistors (EGTs). The electrolytes revealed a double layer capacitance of 12.10 μFcm-2 and ionic conductivity of 3.56x10-7 Scm-1. EGTs with a planar configuration, using sputtered GIZO as semiconducting layer, reached an ON/OFF ratio of 3.47x105, a VON of 0.2 V and a charge carrier mobility of 2.32 cm2V-1s-1.

Historical reconstructions of raw materials based on a blue smalt coating applied to a seventeenth-century altarpiece

Based on samples cross-sections from the Main Altarpiece of the Coimbra Old Cathedral, where a blue coating performed in 1685 is observed (that was partly covered with a Prussian blue-containing overpaint), the raw materials present in this coating were reproduced and studied. Blue areas were painted with smalt in oil, according to the contract signed by Manoel da Costa Pereira in 1684 and the analysis by Le Gac in 2009. Based on these, three batches of cobalt-based glasses (S1, S2 and S3) were heated and melted in alumina crucibles in the kiln. S1 contained 6.03 % of cobalt oxide, S2 contained 2.10 %, with the addition of 1.49 % of magnesium oxide, and S3 contained 6.82 % of cobalt oxide, with the addition of 4.63% of antimony trioxide. These batches were ground mechanically with water and manually with different vehicles stated in recipes. The results were studied by means of OM, SEM-EDS, X-Ray CT, Colorimetry and Vickers HT. Different binders were also produced and analyzed by means of μ-FTIR, in order to perform their characterization and obtain Standard Spectra. Since anhydrite was identified in the ground layers, gypsum from Óbidos was also characterized by XRD. The main goal of this thesis was to study all the raw materials present in the 1685-blue coating, in order to allow the historically accurate reconstruction of the layers build-up in the next future.

Gestão eficiente da energia eléctrica no edifício da Biblioteca da FCT e negociação de um novo contrato em mercado liberalizado

Nos últimos anos, a energia eléctrica tem vindo a conquistar, um lugar cada vez mais importante na sociedade, sendo nos nossos dias um bem essencial para o funcionamento normal das residências, empresas, indústrias e cidades. O problema que a presente dissertação analisa é transversal a inúmeros edifícios, que consomem diariamente uma grande quantidade de energia eléctrica, na ordem dos 900 kWh diários, ou mesmo superior. Desta forma, considera-se o consumo de eletricidade, e potenciais ineficiências no seu uso, num edifício universitário, nomeadamente a biblioteca da Faculdade de Ciências e Tecnologia (FCT) da Universidade Nova de Lisboa (UNL). Em termos mais específicos, pretende-se definir um consumo de energia mais eficiente, deslocando consumos de uns períodos horários para outros, onde as tarifas sejam mais económicas, aplicando medidas de participação ativa dos consumidores (PAC). Além disso, pretende-se simular a negociação de um novo contrato bilateral, entre um retalhista e um agente “gestor” da biblioteca da FCT, para obter um contrato melhorado, do ponto de vista do consumidor. Os principais objetivos desta dissertação são, deste modo, os seguintes: (i) estudar a contratação bilateral de energia em mercados liberalizados, com principal ênfase para a implementação de estratégias de negociação que possibilitem uma participação ativa dos consumidores, (ii) estudar a biblioteca da FCT e propor medidas de eficiência energética, e (iii) simular a negociação de um novo contrato bilateral, recorrendo ao simulador multi-agente MAN-REM. De forma sucinta, os resultados obtidos, permitem concluir que o consumo energético da biblioteca da FCT pode ser melhorado, e com base nos volumes de energia deduzidos, é possível negociar um novo contrato, mais favorável à FCT.

Dangote Cement Plc building materials

Equity research report

Damage propagation in composite Materials meso-mechanical models

Composite materials have a complex behavior, which is difficult to predict under different types of loads. In the course of this dissertation a methodology was developed to predict failure and damage propagation of composite material specimens. This methodology uses finite element numerical models created with Ansys and Matlab softwares. The methodology is able to perform an incremental-iterative analysis, which increases, gradually, the load applied to the specimen. Several structural failure phenomena are considered, such as fiber and/or matrix failure, delamination or shear plasticity. Failure criteria based on element stresses were implemented and a procedure to reduce the stiffness of the failed elements was prepared. The material used in this dissertation consist of a spread tow carbon fabric with a 0°/90° arrangement and the main numerical model analyzed is a 26-plies specimen under compression loads. Numerical results were compared with the results of specimens tested experimentally, whose mechanical properties are unknown, knowing only the geometry of the specimen. The material properties of the numerical model were adjusted in the course of this dissertation, in order to find the lowest difference between the numerical and experimental results with an error lower than 5% (it was performed the numerical model identification based on the experimental results).