Avaliação da remoção do íon cádmio em solução aquosa utilizando processos de osmose inversa e nanofiltração

Os efluentes contendo cádmio podem ser gerados dos por várias indústrias. A aplicação de ambas as tecnologias osmose inversa (OI) e nanofiltração (NF) para o tratamento de efluentes contendo o íon cádmio para reduzir a degradação ambiental foram estudadas no presente trabalho. Amostras sintéticas contendo o íon cádmio em várias concentrações foram preparadas e submetidas aos tratamentos por OI e NF em escala laboratorial. Assim, dividiu-se o processo de remoção em três etapas: 1- analisou-se os processos de osmose inversa e nanofiltração em termos da rejeição do íon cádmio, onde se correlacionou e avaliou os principais parâmetros de processos (concentração da solução alimentação, fluxo de permeado e pressão) e comparou-se os sistemas entre si. Nas etapas 2 e 3 avaliou-se os efeitos da salinidade utilizando os contra-íons zinco e sódio respectivamente, sobre a rejeição do íon cádmio no sistema de osmose inversa em soluções aquosas contendo misturas de sulfato de cádmio e sulfato de zinco, e sulfato de cádmio e sulfato de sódio. Mediu-se as concentrações de cádmio e zinco por espectroscopia de absorção atômica e as concentrações de sulfato e sódio por cromatografia de íons. Os resultados obtidos na primeira etapa dos experimentos mostram que a osmose inversa e nanofiltração são eficientes na remoção de cádmio, onde se obteve as taxas médias de rejeição de 92,4% e 96,6% respectivamente, sendo esses valores iguais em magnitude, tendo em vista os valores da incerteza padrão relativa associada a esses resultados. Em ambos os sitemas, os fluxos de permeado e as rejeições não sofreram influência do aumento da concentração de cádmio na solução alimentação.Na etapa 2, os resultados mostraram a diminuição da rejeição de cádmio com o aumento da concentração de sulfato de zinco na alimentação, sendo esse fenômeno atribuído a semelhança existente entre os íons Cd2+ e Zn2+ associados aos seus raios iônicos de hidratação e as energias de hidratação. Foram observadas as quedas do fluxo de permeado e das rejeições com o aumento da concentração de alimentação provavelmente devido ao efeito da polarização. Na etapa 3, a rejeição do íon cádmio não foi afetada pelo aumento da concentração de sulfato de sódio na alimentação, assim como os fluxos de permeado. Outro aspecto relacionado à rejeição é que a difusão do sódio através da membrana é favorecida frente à difusão do cádmio, sendo atribuído ao menor raio de hidratação do sódio

Modeling Innovative Power Take-Off Based on Double-Acting Hydraulic Cylinders Array for Wave Energy Conversion

One of the key systems of a Wave Energy Converter for extraction of wave energy is the Power Take-Off (PTO) device. This device transforms the mechanical energy of a moving body into electrical energy. This paper describes the model of an innovative PTO based on independently activated double-acting hydraulic cylinders array. The model has been developed using a simulation tool, based on a port-based approach to model hydraulics systems. The components and subsystems used in the model have been parameterized as real components and their values experimentally obtained from an existing prototype. In fact, the model takes into account most of the hydraulic losses of each component. The simulations show the flexibility to apply different restraining torques to the input movement depending on the geometrical configuration and the hydraulic cylinders on duty, easily modified by a control law. The combination of these two actions allows suitable flexibility to adapt the device to different sea states whilst optimizing the energy extraction. The model has been validated using a real test bench showing good correlations between simulation and experimental tests.

Evolución y transcendencia del sector de las energias renovables en España

Nowadays the energies that still prevail on a global scale as a source of generation of electricity are those that come from fossil resources. Nevertheless, in a few years the future of energy will center on renewable energies. Those countries that are not involved in their development will be at a clear disadvantage at economic level, since the electrical power is the base for the development of human society and the renewable energies are essential for its production. The present work has as a target to show, in a clear and concise form, the current situation of the sector of renewable energies in Spain. In addition, we present in a brief and summarised form, an aspect that has been essential in the development of the renewable energies in Spain is tackled. This is, the legislation on the matter as well as the development plans that Spain has carried out for its promotion. Finally, the study considers the compared situation of the sector of the renewable energies and of the energy sector in general in Spain in the context of the EU. IDIOMA: Ingles

Evaluating boundary dependent errors in QM/MM simulations.

Hybrid quantum mechanics/molecular mechanics (QM/MM) simulations provide a powerful tool for studying chemical reactions, especially in complex biochemical systems. In most works to date, the quantum region is kept fixed throughout the simulation and is defined in an ad hoc way based on chemical intuition and available computational resources. The simulation errors associated with a given choice of the quantum region are, however, rarely assessed in a systematic manner. Here we study the dependence of two relevant quantities on the QM region size: the force error at the center of the QM region and the free energy of a proton transfer reaction. Taking lysozyme as our model system, we find that in an apolar region the average force error rapidly decreases with increasing QM region size. In contrast, the average force error at the polar active site is considerably higher, exhibits large oscillations and decreases more slowly, and may not fall below acceptable limits even for a quantum region radius of 9.0 A. Although computation of free energies could only be afforded until 6.0 A, results were found to change considerably within these limits. These errors demonstrate that the results of QM/MM calculations are heavily affected by the definition of the QM region (not only its size), and a convergence test is proposed to be a part of setting up QM/MM simulations.

Valuation of Wind Energy Projects: A Real Options Approach

We address the valuation of an operating wind farm and the finite-lived option to invest in it under different reward/support schemes: a constant feed-in tariff, a premium on top of the electricity market price (either a fixed premium or a variable subsidy such as a renewable obligation certificate or ROC), and a transitory subsidy, among others. Futures contracts on electricity with ever longer maturities enable market-based valuations to be undertaken. The model considers up to three sources of uncertainty: the electricity price, the level of wind generation, and the certificate (ROC) price where appropriate. When analytical solutions are lacking, we resort to a trinomial lattice combined with Monte Carlo simulation; we also use a two-dimensional binomial lattice when uncertainty in the ROC price is considered. Our data set refers to the UK. The numerical results show the impact of several factors involved in the decision to invest: the subsidy per MWh generated, the initial lump-sum subsidy, the maturity of the investment option, and electricity price volatility. Different combinations of variables can help bring forward investments in wind generation. One-off policies, e.g., a transitory initial subsidy, seem to have a stronger effect than a fixed premium per MWh produced.

Strategies for Power Line Communications Smart Metering Network Deployment

Smart Grids are becoming a reality all over the world. Nowadays, the research efforts for the introduction and deployment of these grids are mainly focused on the development of the field of Smart Metering. This emerging application requires the use of technologies to access the significant number of points of supply (PoS) existing in the grid, covering the Low Voltage (LV) segment with the lowest possible costs. Power Line Communications (PLC) have been extensively used in electricity grids for a variety of purposes and, of late, have been the focus of renewed interest. PLC are really well suited for quick and inexpensive pervasive deployments. However, no LV grid is the same in any electricity company (utility), and the particularities of each grid evolution, architecture, circumstances and materials, makes it a challenge to deploy Smart Metering networks with PLC technologies, with the Smart Grid as an ultimate goal. This paper covers the evolution of Smart Metering networks, together with the evolution of PLC technologies until both worlds have converged to project PLC-enabled Smart Metering networks towards Smart Grid. This paper develops guidelines over a set of strategic aspects of PLC Smart Metering network deployment based on the knowledge gathered on real field; and introduces the future challenges of these networks in their evolution towards the Smart Grid.

Development in laser induced extrinsic absorption damage mechanism of dielectric films

Absorption of host and the temperature-dependence of absorption coefficient have been considered in evaluating temperatures distribution in films, when laser pulse irradiates on films. Absorption of dielectric materials experience three stages with the increase of temperature: multi-photon absorption; single photon absorption; metallic absorption. These different absorption mechanisms correspond to different band gap energies of materials, which will decrease when the temperature of materials increases. evaluating results indicate that absorption of host increases rapidly when the laser pulse will be over. If absorption of host and the temperature-dependence of absorption are considered, the material temperatures in films will be increased by a factor of four.

One-dimensional potential for image-potential states on graphene

In the framework of dielectric theory, the static non-local self-energy of an electron near an ultra-thin polarizable layer has been calculated and applied to study binding energies of image-potential states near free-standing graphene. The corresponding series of eigenvalues and eigenfunctions have been obtained by numerically solving the one-dimensional Schrodinger equation. The imagepotential state wave functions accumulate most of their probability outside the slab. We find that the random phase approximation (RPA) for the nonlocal dielectric function yields a superior description for the potential inside the slab, but a simple Fermi-Thomas theory can be used to get a reasonable quasi-analytical approximation to the full RPA result that can be computed very economically. Binding energies of the image-potential states follow a pattern close to the Rydberg series for a perfect metal with the addition of intermediate states due to the added symmetry of the potential. The formalism only requires a minimal set of free parameters: the slab width and the electronic density. The theoretical calculations are compared with experimental results for the work function and image-potential states obtained by two-photon photoemission.

Studying the influence of substitutional elements on mechanical behavior of Alloy 718

In nickel-based superalloys, substitutional solute species have a strong impact on in service mechanical properties as well as on oxidation and corrosion resistances. In alloy 718, recent studies carried out by tensile tests highlighted the fact that refractory solute species are able to interact strongly with mobile dislocations during plastic deformation, generating dynamic strain ageing, and, in wide ranges of tests temperatures and strain rates, Portevin-Le Chatelier effect. The precise nature of the substitutional element responsible for such a dynamic interaction is still subject to debate. We addressed this question by means of mechanical spectroscopy studies of alloy 718 and various related alloys corresponding to monitored changes in the chemical composition. Only a single internal friction relaxation peak has been observed for all the studied alloys. By analyzing the damping behavior of these alloys at different imposed solicitation frequencies by sweeping a large temperatures range, the activation energies of the relaxation process and the type of mechanism involved have been determined. The process is a "Zener relaxation" in the alloys, i.e. a substitutional atoms dipole reorientation under applied stress. The results tend to prove that Niobium is not involved in the relaxation process whereas Molybdenum content seems to play an important role in the relaxation intensity.

Visibility recovery on images acquired in attenuating media. Application to underwater, fog, and mammographic imaging

136 p.

Triel Bonds, pi-Hole-pi-Electrons Interactions in Complexes of Boron and Aluminium Trihalides and Trihydrides with Acetylene and Ethylene

MP2/aug-cc-pVTZ calculations were performed on complexes of aluminium and boron trihydrides and trihalides with acetylene and ethylene. These complexes are linked through triel bonds where the triel center (B or Al) is characterized by the Lewis acid properties through its -hole region while -electrons of C2H2 or C2H4 molecule play the role of the Lewis base. Some of these interactions possess characteristics of covalent bonds, i.e., the Al--electrons links as well as the interaction in the BH3-C2H2 complex. The triel--electrons interactions are classified sometimes as the 3c-2e bonds. In the case of boron trihydrides, these interactions are often the preliminary stages of the hydroboration reaction. The Quantum Theory of Atoms in Molecules as well as the Natural Bond Orbitals approach are applied here to characterize the -hole--electrons interactions.

Photorelease of Pyridyl Esters in Organometallic Ru(II) Arene Complexes

New Ru(II) arene complexes of formula [((6)-p-cym)Ru(N-N)(X)](2+) (where p-cym = para-cymene, N-N = 2,2'-bipyrimidine (bpm) or 2,2'-bipyridine (bpy) and X = m/p-COOMe-Py, 1-4) were synthesised and characterized, including the molecular structure of complexes [((6)-p-cym)Ru(bpy)(m-COOMe-Py)](2+) (3) and [((6)-p-cym)Ru(bpy)(p-COOMe-Py)](2+) (4) by single-crystal X-ray diffraction. Complexes 1-4 are stable in the dark in aqueous solution over 48 h and photolysis studies indicate that they can photodissociate the monodentate m/p-COOMe-Py ligands selectively with yields lower than 1%. DFT and TD-DFT calculations (B3LYP/LanL2DZ/6-31G**) performed on singlet and triplet states pinpoint a low-energy triplet state as the reactive state responsible for the selective dissociation of the monodentate pyridyl ligands.

Effect of surface plasmon resonance in TiO2/Au thin films on the fluorescence of self-assembled CdTe QDs structure

23rd Congress of the International Comission for Optics (ICO 23)

Localização de faltas de curta duração em redes de distribuição.

O objetivo deste trabalho é contribuir com o desenvolvimento de uma técnica baseada em sistemas inteligentes que possibilite a localização exata ou aproximada do ponto de origem de uma Variação de Tensão de Curta Duração (VTCD) (gerada por uma falta) em um sistema de distribuição de energia elétrica. Este trabalho utiliza um Phase-Locked Loop (PLL) com o intuito de detectar as faltas. Uma vez que a falta é detectada, os sinais de tensão obtidos durante a falta são decompostos em componentes simétricas instantâneas por meio do método proposto. Em seguida, as energias das componentes simétricas são calculadas e utilizadas para estimar a localização da falta. Nesta pesquisa, são avaliadas duas estruturas baseadas em Redes Neurais Artificiais (RNAs). A primeira é projetada para classificar a localização da falta em um dos pontos possíveis e a segunda é projetada para estimar a distância da falta ao alimentador. A técnica aqui proposta aplica-se a alimentadores trifásicos com cargas equilibradas. No desenvolvimento da mesma, considera-se que há disponibilidade de medições de tensões no nó inicial do alimentador e também em pontos esparsos ao longo da rede de distribuição. O banco de dados empregado foi obtido através de simulações de um modelo de alimentador radial usando o programa PSCAD/EMTDC. Testes de sensibilidade empregando validação-cruzada são realizados em ambas as arquiteturas de redes neurais com o intuito de verificar a confiabilidade dos resultados obtidos. Adicionalmente foram realizados testes com faltas não inicialmente contidas no banco de dados a fim de se verificar a capacidade de generalização das redes. Os desempenhos de ambas as arquiteturas de redes neurais foram satisfatórios e demonstram a viabilidade das técnicas propostas para realizar a localização de faltas em redes de distribuição.

Calculation of the electronic structure of carbon films using electron energy loss spectroscopy.

The detailed understanding of the electronic properties of carbon-based materials requires the determination of their electronic structure and more precisely the calculation of their joint density of states (JDOS) and dielectric constant. Low electron energy loss spectroscopy (EELS) provides a continuous spectrum which represents all the excitations of the electrons within the material with energies ranging between zero and about 100 eV. Therefore, EELS is potentially more powerful than conventional optical spectroscopy which has an intrinsic upper information limit of about 6 eV due to absorption of light from the optical components of the system or the ambient. However, when analysing EELS data, the extraction of the single scattered data needed for Kramers Kronig calculations is subject to the deconvolution of the zero loss peak from the raw data. This procedure is particularly critical when attempting to study the near-bandgap region of materials with a bandgap below 1.5 eV. In this paper, we have calculated the electronic properties of three widely studied carbon materials; namely amorphous carbon (a-C), tetrahedral amorphous carbon (ta-C) and C60 fullerite crystal. The JDOS curve starts from zero for energy values below the bandgap and then starts to rise with a rate depending on whether the material has a direct or an indirect bandgap. Extrapolating a fit to the data immediately above the bandgap in the stronger energy loss region was used to get an accurate value for the bandgap energy and to determine whether the bandgap is direct or indirect in character. Particular problems relating to the extraction of the single scattered data for these materials are also addressed. The ta-C and C60 fullerite materials are found to be direct bandgap-like semiconductors having a bandgaps of 2.63 and 1.59eV, respectively. On the other hand, the electronic structure of a-C was unobtainable because it had such a small bandgap that most of the information is contained in the first 1.2 eV of the spectrum, which is a region removed during the zero loss deconvolution.