Phase diagrams of binary mixtures of patchy colloids with distinct numbers and types of patches: Theempty fluid regime

We investigate the effect of distinct bonding energies on the onset of criticality of low functionality fluid mixtures. We focus on mixtures ofparticles with two and three patches as this includes the mixture where "empty" fluids were originally reported. In addition to the number of patches, thespecies differ in the type of patches or bonding sites. For simplicity, we consider that the patches on each species are identical: one species has threepatches of type A and the other has two patches of type B. We have found a rich phase behavior with closed miscibility gaps, liquid-liquid demixing, and negative azeotropes. Liquid-liquid demixing was found to pre-empt the "empty" fluid regime, of these mixtures, when the AB bonds are weaker than the AA or BB bonds. By contrast, mixtures in this class exhibit "empty" fluid behavior when the AB bonds are stronger than at least one of the other two. Mixtureswith bonding energies epsilon(BB) = epsilon(AB) and epsilon(AA) < epsilon(BB), were found to exhibit an unusual negative azeotrope. (C) 2011 American Institute of Physics. [doi:10.1063/1.3561396]

A user-centered interface for scheduling problem definition

In this paper we present a user-centered interface for a scheduling system. The purpose of this interface is to provide graphical and interactive ways of defining a scheduling problem. To create such user interface an evaluation-centered user interaction development method was adopted: the star life cycle. The created prototype comprises the Task Module and the Scheduling Problem Module. The first one allows users to define a sequence of operations, i.e., a task. The second one enables a scheduling problem definition, which consists in a set of tasks. Both modules are equipped with a set of real time validations to assure the correct definition of the necessary data input for the scheduling module of the system. The usability evaluation allowed us to measure the ease of interaction and observe the different forms of interaction provided by each participant, namely the reactions to the real time validation mechanism.

Study of Pt/MCM-22 based catalysts in the transformation of n-hexane: effect of rare earth elements and mode of platinum introduction

The bifunctional transformation of n-hexane was carried out over Pt/MCM-22 based catalysts. MCM-22 was synthesized and submitted to ion exchange with rare earth nitrate solutions of La, Nd and Yb, followed by Pt introduction. Three different methods were used to introduce about 1 wt% of Pt in the zeolite: ion exchange, incipient wetness impregnation and mechanical mixture with Pt/Al(2)O(3). The bifunctional catalysts were characterized by transmission electron microscopy and by the model reaction of toluene hydrogenation. These experiments showed that, in the ion exchanged sample, Pt is located both within the inner micropores and on the outer surface, whereas in the impregnated one, the metal is essentially located on the outer surface under the form of large particles. The presence of RE elements increases the hydrogenating activity of Pt/MCM-22 since the location of these species at the vicinity of metal particles causes modification on its electronic properties. Whatever the mode of Pt introduction, a fast initial decrease in conversion is observed for n-hexane transformation, followed by a plateau related to the occurrence of the catalytic transformations at the hemicages located at the outer surface of the crystals. The effect of rare earth elements on the hydrogenating function leads to a lower selectivity in dibranched isomers and increased amounts of light products.

Synthesis and structural characterization of iron complexes with 2,2,2-tris(1-pyrazolyl)ethanol ligands: Application in the peroxidative oxidation of cyclohexane under mild conditions

The reactions of FeCl2 center dot 2H(2)O and 2,2,2-tris(1-pyrazolyl) ethanol HOCH2C(pz)(3) (1) (pz = pyrazolyl) afford [Fe{HOCH2C(pz)(3)}(2)][FeCl4]Cl (2), [Fe{HOCH2C(pz)(3)}(2)](2)[Fe2OCl6](Cl)(2)center dot 4H(2)O (3 center dot 4H(2)O), [Fe{HOCH2C(pz)(3)}(2)] [FeCl{HOCH2C(pz)(3)}(H2O)(2)](2)(Cl)(4) (4) or [Fe{HOCH2C(pz)(3)}(2)]Cl-2 (5), depending on the experimental conditions. Compounds 1-5 were isolated as air-stable crystalline solids and fully characterized, including (1-4) by single-crystal X-ray diffraction analyses. The latter technique revealed strong intermolecular H-bonds involving the OH group of the scorpionate 2 and 3 giving rise to 1D chains which, in 3, are further expanded to a 2D network with intercalated infinite and almost plane chains of H-interacting water molecules. In 4, intermolecular pi center dot center dot center dot pi interactions involving the pyrazolyl rings are relevant. Complexes 2-5 display a high solubility in water (S-25 degrees C ca. 10-12 mg mL(-1)), a favourable feature towards their application as catalysts (or catalyst precursors) for the peroxidative oxidation of cyclo-hexane to cyclohexanol and cyclohexanone, with aqueous H2O2/MeCN, at room temperature (TON values up to ca. 385). (C) 2011 Elsevier B. V. All rights reserved.

Undulation Instabilities in the Meniscus of Smectic Membranes

Using optical microscopy, phase shifting interferometry, and atomic force microscopy, we characterize the undulated structures which appear in the meniscus of freestanding ferroelectric smectic-C* films. We demonstrate that these periodic structures correspond to undulations of the smectic-air interface. The resulting striped pattern disappears in the untilted smectic-A phase. The modulation amplitude and wavelength of the instability both depend on meniscus thickness. We study the temperature evolution and propose a model that qualitatively accounts for the observations.

Unified min-max and interlacing theorems for linear operators

There exist striking analogies in the behaviour of eigenvalues of Hermitian compact operators, singular values of compact operators and invariant factors of homomorphisms of modules over principal ideal domains, namely diagonalization theorems, interlacing inequalities and Courant-Fischer type formulae. Carlson and Sa [D. Carlson and E.M. Sa, Generalized minimax and interlacing inequalities, Linear Multilinear Algebra 15 (1984) pp. 77-103.] introduced an abstract structure, the s-space, where they proved unified versions of these theorems in the finite-dimensional case. We show that this unification can be done using modular lattices with Goldie dimension, which have a natural structure of s-space in the finite-dimensional case, and extend the unification to the countable-dimensional case.

Otimização da imagem em tomografia computorizada no exame de tórax

Mestrado em Radiações Aplicadas às Tecnologias da Saúde. Área de especialização: Imagem Digital.

Synthesis of optimization of [11C] Pittsburgh compound B by the captive solvent method

Mestrado em Medicina Nuclear.

Study on influence of the new CoDeSys V3.0 on the existing CoDeSys discipline of the Mind8 Engineering Center

CoDeSys "Controller Development Systems" is a development environment for programming in the area of automation controllers. It is an open source solution completely in line with the international industrial standard IEC 61131-3. All five programming languages for application programming as defined in IEC 61131-3 are available in the development environment. These features give professionals greater flexibility with regard to programming and allow control engineers have the ability to program for many different applications in the languages in which they feel most comfortable. Over 200 manufacturers of devices from different industrial sectors offer intelligent automation devices with a CoDeSys programming interface. In 2006, version 3 was released with new updates and tools. One of the great innovations of the new version of CoDeSys is object oriented programming. Object oriented programming (OOP) offers great advantages to the user for example when wanting to reuse existing parts of the application or when working on one application with several developers. For this reuse can be prepared a source code with several well known parts and this is automatically generated where necessary in a project, users can improve then the time/cost/quality management. Until now in version 2 it was necessary to have hardware interface called “Eni-Server” to have access to the generated XML code. Another of the novelties of the new version is a tool called Export PLCopenXML. This tool makes it possible to export the open XML code without the need of specific hardware. This type of code has own requisites to be able to comply with the standard described above. With XML code and with the knowledge how it works it is possible to do component-oriented development of machines with modular programming in an easy way. Eplan Engineering Center (EEC) is a software tool developed by Mind8 GmbH & Co. KG that allows configuring and generating automation projects. Therefore it uses modules of PLC code. The EEC already has a library to generate code for CoDeSys version 2. For version 3 and the constant innovation of drivers by manufacturers, it is necessary to implement a new library in this software. Therefore it is important to study the XML export to be then able to design any type of machine. The purpose of this master thesis is to study the new version of the CoDeSys XML taking into account all aspects and impact on the existing CoDeSys V2 models and libraries in the company Harro Höfliger Verpackungsmaschinen GmbH. For achieve this goal a small sample named “Traffic light” in CoDeSys version 2 will be done and then, using the tools of the new version it there will be a project with version 3 and also the EEC implementation for the automatically generated code.

Learning objects recommendation in an adaptive educational hypermedia system

The aim of this paper is presenting the modules of the Adaptive Educational Hypermedia System PCMAT, responsible for the recommendation of learning objects. PCMAT is an online collaborative learning platform with a constructivist approach, which assesses the user’s knowledge and presents contents and activities adapted to the characteristics and learning style of students of mathematics in basic schools. The recommendation module and search and retrieval module choose the most adequate learning object, based on the user's characteristics and performance, and in this way contribute to the system’s adaptability.

Análise e aplicação de métodos de modularização no desenvolvimento do produto

Pós-graduação em Engenharia de Produção - FEG

Modelação e simulação de sistemas fotovoltaicos

Os sistemas fotovoltaicos produzem energia eléctrica limpa, e inesgotável na nossa escala temporal. A Agência Internacional de Energia encara a tecnologia fotovoltaica como uma das mais promissoras, esperando nas suas previsões mais optimistas, que em 2050 possa representar 20% da produção eléctrica mundial, o equivalente a 18000 TWh. No entanto, e apesar do desenvolvimento notável nas últimas décadas, a principal condicionante a uma maior proliferação destes sistemas é o ainda elevado custo, aliado ao seu fraco desempenho global. Apesar do custo e ineficiência dos módulos fotovoltaicos ter vindo a diminuir, o rendimento dos sistemas contínua dependente de factores externos sujeitos a grande variabilidade, como a temperatura e a irradiância, e às limitações tecnológicas e falta de sinergia dos seus equipamentos constituintes. Neste sentido procurou-se como objectivo na elaboração desta dissertação, avaliar o potencial de optimização dos sistemas fotovoltaicos recorrendo a técnicas de modelação e simulação. Para o efeito, em primeiro lugar foram identificados os principais factores que condicionam o desempenho destes sistemas. Em segundo lugar, e como caso prático de estudo, procedeu-se à modelação de algumas configurações de sistemas fotovoltaicos, e respectivos componentes em ambiente MatlabTM/SimulinkTM. Em seguida procedeu-se à análise das principais vantagens e desvantagens da utilização de diversas ferramentas de modelação na optimização destes sistemas, assim como da incorporação de técnicas de inteligência artificial para responder aos novos desafios que esta tecnologia enfrentará no futuro. Através deste estudo, conclui-se que a modelação é não só um instrumento útil para a optimização dos actuais sistemas PV, como será, certamente uma ferramenta imprescindível para responder aos desafios das novas aplicações desta tecnologia. Neste último ponto as técnicas de modelação com recurso a inteligência artificial (IA) terão seguramente um papel preponderante. O caso prático de modelação realizado permitiu concluir que esta é igualmente uma ferramenta útil no apoio ao ensino e investigação. Contudo, convém não esquecer que um modelo é apenas uma aproximação à realidade, devendo recorrer-se sempre ao sentido crítico na interpretação dos seus resultados.

VirtualECare: group decision supported by idea generation and argumentation

In the last years there has been a considerable increase in the number of people in need of intensive care, especially among the elderly, a phenomenon that is related to population ageing (Brown 2003). However, this is not exclusive of the elderly, as diseases as obesity, diabetes, and blood pressure have been increasing among young adults (Ford and Capewell 2007). As a new fact, it has to be dealt with by the healthcare sector, and particularly by the public one. Thus, the importance of finding new and cost effective ways for healthcare delivery are of particular importance, especially when the patients are not to be detached from their environments (WHO 2004). Following this line of thinking, a VirtualECare Multiagent System is presented in section 2, being our efforts centered on its Group Decision modules (Costa, Neves et al. 2007) (Camarinha-Matos and Afsarmanesh 2001).On the other hand, there has been a growing interest in combining the technological advances in the information society - computing, telecommunications and knowledge – in order to create new methodologies for problem solving, namely those that convey on Group Decision Support Systems (GDSS), based on agent perception. Indeed, the new economy, along with increased competition in today’s complex business environments, takes the companies to seek complementarities, in order to increase competitiveness and reduce risks. Under these scenarios, planning takes a major role in a company life cycle. However, effective planning depends on the generation and analysis of ideas (innovative or not) and, as a result, the idea generation and management processes are crucial. Our objective is to apply the GDSS referred to above to a new area. We believe that the use of GDSS in the healthcare arena will allow professionals to achieve better results in the analysis of one’s Electronically Clinical Profile (ECP). This attainment is vital, regarding the incoming to the market of new drugs and medical practices, which compete in the use of limited resources.

An architecture for ambient intelligent environments

This paper presents the proposal of an architecture for developing systems that interact with Ambient Intelligence (AmI) environments. This architecture has been proposed as a consequence of a methodology for the inclusion of Artificial Intelligence in AmI environments (ISyRAmI - Intelligent Systems Research for Ambient Intelligence). The ISyRAmI architecture considers several modules. The first is related with the acquisition of data, information and even knowledge. This data/information knowledge deals with our AmI environment and can be acquired in different ways (from raw sensors, from the web, from experts). The second module is related with the storage, conversion, and handling of the data/information knowledge. It is understood that incorrectness, incompleteness, and uncertainty are present in the data/information/knowledge. The third module is related with the intelligent operation on the data/information/knowledge of our AmI environment. Here we include knowledge discovery systems, expert systems, planning, multi-agent systems, simulation, optimization, etc. The last module is related with the actuation in the AmI environment, by means of automation, robots, intelligent agents and users.

Liquid crystal necklaces: cholesteric drops threaded by thin cellulose fibres

Liquid crystals in confined geometries exhibit numerous complex structures often including topological defects that are controlled by the nematic elasticity, chirality and surface anchoring. In this work, we study the structures of cholesteric droplets pierced by cellulose fibres with planar anchoring at droplet and fibre surfaces. By varying the temperature we demonstrate the role of twisting power and droplet diameter on the equilibrium structures. The observed structures are complemented by detailed numerical simulations of possible director fields decorated by defects. Three distinct structures, a bipolar and two ring configurations, are identified experimentally and numerically. Designing cholesteric liquid crystal microdroplets on thin long threads opens new routes to produce fibre waveguides decorated with complex microresonators.