Não-extensividade em percolação por ligações de longo - alcance

A linear chain do not present phase transition at any finite temperature in a one dimensional system considering only first neighbors interaction. An example is the Ising ferromagnet in which his critical temperature lies at zero degree. Analogously, in percolation like disordered geometrical systems, the critical point is given by the critical probability equals to one. However, this situation can be drastically changed if we consider long-range bonds, replacing the probability distribution by a function like . In this kind of distribution the limit α → ∞ corresponds to the usual first neighbor bond case. In the other hand α = 0 corresponds to the well know "molecular field" situation. In this thesis we studied the behavior of Pc as a function of a to the bond percolation specially in d = 1. Our goal was to check a conjecture proposed by Tsallis in the context of his Generalized Statistics (a generalization to the Boltzmann-Gibbs statistics). By this conjecture, the scaling laws that depend with the size of the system N, vary in fact with the quantitie

Vortex state in a mesoscopic flat disk with rough surface

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Vortices in a mesoscopic superconducting circular sector

In the present paper we develop an algorithm to solve the time dependent Ginzburg-Landau equations, by using the link variables technique, for circular geometries. In addition, we evaluate the Helmholtz and Gibbs free energy, the magnetization, and the number of vortices. This algorithm is applied to a circular sector. We evaluate the superconduting-normal magnetic field transition, the magnetization, and the superconducting density. Our results point out that, as we reduce the superconducting area, the nucleation field increases. Nevertheless, as the angular width of the circular sector goes to small values the asymptotic behavior is independent of the sample area. We also show that the value of the first nucleation field is approximately the same independently of the form of the circular sector. Furthermore, we study the nucleation of giant and multivortex states for the different shapes of the present geometry.

Estimação clássica e Bayesiana em modelos de sobrevida com fração de cura

In Survival Analysis, long duration models allow for the estimation of the healing fraction, which represents a portion of the population immune to the event of interest. Here we address classical and Bayesian estimation based on mixture models and promotion time models, using different distributions (exponential, Weibull and Pareto) to model failure time. The database used to illustrate the implementations is described in Kersey et al. (1987) and it consists of a group of leukemia patients who underwent a certain type of transplant. The specific implementations used were numeric optimization by BFGS as implemented in R (base::optim), Laplace approximation (own implementation) and Gibbs sampling as implemented in Winbugs. We describe the main features of the models used, the estimation methods and the computational aspects. We also discuss how different prior information can affect the Bayesian estimates

Prediction of Soil Properties from the Concepts of Energy Transfer in Dynamic Penetration Tests

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Avaliação da remoção de hidrocarbonetos aromáticos (BTEX) em águas utilizando materiais nanoestruturados do tipo Ti-MCM-41

Volatile Organic Compounds are pollutants coming mainly from activities that use fossil fuels. Within this class are the BTEX (benzene, toluene, ethylbenzene and xylenes) compounds that are considered hazardous. Among the various existing techniques for degradation of pollutants, there is advanced oxidation using H2O2 generating hidoxil radical ( OH). In this work, the mesoporous material of MCM-41 was synthesized by hydrothermal method and then was used as support, the impregnation of titanium by the method of synthesis with excess solvent to obtain the catalyst Ti-MCM-41. The catalyst was used in the reaction catalyzed removal of BTEX in water using H2O2 as oxidant. The materials were characterized by: XRD, TG/DTG, FTIR, nitrogen adsorption-desorption and FRX-EDX, in order to verify the method of impregnation of the mesoporous titanium support was effective. Catalytic tests were carried out in reactors of 20 mL containing BTEX (100.0 μg/L), H2O2 (2.0 M) and Ti-MCM-41 (2.0 g/L) in acid medium. The reaction occurred for 5 h at 60 °C and analysis were performed by gas chromatography with photoionization detector and static headspace sampler. The characterizations have proven the effectiveness of the synthesis method used and the incorporation of titanium lt in the support. The catalytic tests showed satisfactory results with conversion of more than 95 % for the studied compounds, where the catalyst 48% Ti-MCM-41 showed a higher removal efficiency of the compounds under study

Aplicação de sabões de ácidos graxos epoxidados como inibidores de corrosão em oleoduto

Corrosion usually occurs in pipelines, so that it is necessary to develop new surface treatments to control it. Surfactants have played an outstanding role in this field due to its capacity of adsorbing on metal surfaces, resulting in interfaces with structures that protect the metal at low surfactant concentrations. The appearance of new surfactants is a contribution to the area, as they increase the possibility of corrosion control at specific conditions that a particular oil field presents. The aim of this work is to synthesize the surfactants sodium 12 hydroxyocadecenoate (SAR), sodium 9,10-epoxy-12 hydroxyocadecanoate (SEAR), and sodium 9,10:12,13-diepoxy-octadecanoate (SEAL) and apply them as corrosion inhibitors, studying their action in environments with different salinities and at different temperatures. The conditions used in this work were chosen in order to reproduce oil field reality. The study of the micellization of these surfactants in the liquid-gas interface was carried out using surface tensiometry. It was observed that cmc increased as salt concentration was increased, and temperature and pH were decreased, while cmc decreased with the addition of two epoxy groups in the molecule. Using the values of cmc and the Gibbs equation, the values of Gibbs free energy of adsorption, area per adsorbed molecule, and surface excess were calculated. The surface excess increases as salt concentration and temperature decreases, increasing as pH is increased. The area per adsorbed molecule and the free energy of adsorption decrease with salt concentration, temperature, and pH increase. SAXS results showed that the addition of epoxy group in surfactant structure results in a decrease in the repulsion between the micelles, favoring the formation of more oblong micellar structures, ensuring a better efficiency of metal coverage. The increase in salt and surfactant concentrations provides an increase in micellar diameter. It was shown that the increase in temperature does not influence micellar structure, indicating thermal stability that is advantageous for use as corrosion inhibitor. The results of inhibition efficiency for the surfactants SEAR and SEAL were considered the best ones. Above cmc, adsorption occurred by the migration of micelles from the bulk of the solution to the metal surface, while at concentrations below cmc film formation must be due to the adsorption of semi-micellar and monomeric structures, certainly due to the presence of the epoxy group, which allows side interactions of the molecule with the metal surface. The metal resistance to corrosion presented values of 90% of efficiency. The application of Langmuir and Frumkin isotherms showed that the later gives a better description of adsorption because the model takes into account side interactions from the adsorbing molecules. Wettability results showed that micelle formation on the solid surface occurs at concentrations in the magnitude of 10-3 M, which isthe value found in the cmc study. This value also justifies the maximum efficiencies obtained for the measurements of corrosion resistance at this concentration. The values of contact angle as a function of time suggest that adsorption increases with time, due to the formation of micellar structures on metal surface

Índice de aromaticidade baseado na deslocalização, degenerescência e densidade (D3BIA) para acenos e moléculas homoaromáticas

The aromaticity index is an important tool for the investigation of aromatic molecules. This work consists on new applications of the aromaticity index developed by teacher Caio Lima Firme, so-called D3BIA (density, delocalization, degeneracy-based index of aromaticity). It was investigated its correlation with other well-known aromaticity indexes, such as HOMA (harmonic oscillator model of aromaticity), NICS (nucleus independent chemical shielding), PDI (para-delocalization index), magnetic susceptibility (), and energetic factor in the study of aromaticity of acenes and homoaromatic species based on bisnoradamantanyl cage. The density functional theory (DFT) was used for optimization calculations and for obtaining energetic factors associated with aromaticity and indexes HOMA and NICS. From quantum theory of atoms in molecules (QTAIM) it was obtained the indexes D3BIA, PDI and . For acenes, when the over-mentioned indexes were applied it was observed no correlation except for D3BIA and HOMA (R2=0.752). For bisnoradamantenyl dication and its derivatives, it was obtained a good correlation between D3BIA and NICS. Moreover, it was evaluated solely one of the factors used on D3BIA calculation, the delocalization index uniformity (DIU), so as to investigate its possible influence on stability of chemical species. Then, the DIU was compared with the formation Gibbs free energy of some pairs of carbocations, isomers or not, which each pair had small difference in point group symmetry and no difference among other well-known stability factors. The obtained results indicate that DIU is a new stability factor related to carbocations, that is, the more uniform the electron density delocalization, the more stable the is carbocation. The results of this work validate D3BIA and show its importance on the concept of aromaticity, indicating that it can be understood from degeneracy of atoms belonging the aromatic site, the electronic density in the aromatic site and the degree of uniformity of electron delocalization

Estudos de sorção de um corante aniônico modelo em partículas de quitosana reticulada

Textile activity results in effluents with a variety of dyes. Among the several processes for dye-uptaking from these wastewaters, sorption is one of the most effective methods, chitosan being a very promising alternative for this end. The sorption of Methyl Orange by chitosan crosslinked particles was approached using equilibrium and kinetic analyses at different pH s. Besides the standard pseudo-order analysis normally effectuated (i.e. pseudo-first-order and pseudo-second-order), a novel approach involving a pseudo-nth-order kinetics was used, nbeing determined via non-linear regression, using the Levenberg-Marquardt method. Zeta potential measurements indicated that electrostatic interactions were important for the sorption process. Regarding equilibrium experiments, data were well fitted to a hybrid Langmuir-Freundlich isotherm, and estimated Gibbs free energy of adsorption as a function of mass of dye per area of chitosan showed that the process of adsorption becomes more homogeneous as the pH of the continuous phase decreased. Considering the kinetics of sorption, although a pseudo-nth-order description yielded good fits, a kinetic equation involving diffusion adsorption phenomena was found to be more consistent in terms of a physicochemical description of the sorption process

Avaliação da remoção catalítica de compostos orgânicos monoaromáticos em água utilizando materiais nanoestruturados de sílica

Statistics of environmental protection agencies show that the soil has been contaminated with problems often resulting from leaks, spills and accidents during exploration, refining, transportation and storage oil operations and its derivatives. These, gasoline noteworthy, verified by releasing, to get in touch with the groundwater, the compounds BTEX (benzene, toluene, ethylbenzene and xylenes), substances which are central nervous system depressants and causing leukemia. Among the processes used in remediation of soil and groundwater contaminated with organic pollutants, we highlight those that use hydrogen peroxide because they are characterized by the rapid generation of chemical species of high oxidation power, especially the hydroxyl radical ( OH), superoxide (O2 -) and peridroxil (HO2 ), among other reactive species that are capable of transforming or decomposing organic chemicals. The pH has a strong effect on the chemistry of hydrogen peroxide because the formation of different radicals directly depends on the pH of the medium. In this work, the materials MCM-41 and Co-MCM-41 were synthesized and used in the reaction of BTEX removal in aqueous media using H2O2. These materials were synthesized by the hydrothermal method and the techniques used to characterize were: XRD, TG/DTG, adsorption/desorption N2, TEM and X-Ray Fluorescence. The catalytic tests were for 5 h of reaction were carried out in reactors of 20 mL, which was accompanied by the decomposition of hydrogen peroxide by molecular absorption spectrophotometry in the UV-Vis, in addition to removal of organic compounds BTEX was performed as gas chromatography with detection photoionization and flame ionization and by static headspace sampler. The characterizations proved that the materials were successfully synthesized. The catalytic tests showed satisfactory results, and the reactions containing BTEX + Co-MCM-41 + H2O2 at pH = 12.0 had the highest percentages of removal for the compounds studied

Entropia de bloco no formalismo estatístico generalizado de Kaniadakis

A posição que a renomada estatí stica de Boltzmann-Gibbs (BG) ocupa no cenário cientifíco e incontestável, tendo um âmbito de aplicabilidade muito abrangente. Por em, muitos fenômenos físicos não podem ser descritos por esse formalismo. Isso se deve, em parte, ao fato de que a estatística de BG trata de fenômenos que se encontram no equilíbrio termodinâmico. Em regiões onde o equilíbrio térmico não prevalece, outros formalismos estatísticos devem ser utilizados. Dois desses formalismos emergiram nas duas ultimas décadas e são comumente denominados de q-estatística e k-estatística; o primeiro deles foi concebido por Constantino Tsallis no final da década de 80 e o ultimo por Giorgio Kaniadakis em 2001. Esses formalismos possuem caráter generalizador e, por isso, contem a estatística de BG como caso particular para uma escolha adequada de certos parâmetros. Esses dois formalismos, em particular o de Tsallis, nos conduzem também a refletir criticamente sobre conceitos tão fortemente enraizados na estat ística de BG como a aditividade e a extensividade de certas grandezas físicas. O escopo deste trabalho esta centrado no segundo desses formalismos. A k -estatstica constitui não só uma generalização da estatística de BG, mas, atraves da fundamentação do Princípio de Interação Cinético (KIP), engloba em seu âmago as celebradas estatísticas quânticas de Fermi- Dirac e Bose-Einstein; além da própria q-estatística. Neste trabalho, apresentamos alguns aspectos conceituais da q-estatística e, principalmente, da k-estatística. Utilizaremos esses conceitos junto com o conceito de informação de bloco para apresentar um funcional entrópico espelhado no formalismo de Kaniadakis que será utilizado posteriormente para descrever aspectos informacionais contidos em fractais tipo Cantor. Em particular, estamos interessados em conhecer as relações entre parâmetros fractais, como a dimensão fractal, e o parâmetro deformador. Apesar da simplicidade, isso nos proporcionará, em trabalho futuros, descrever estatisticamente estruturas mais complexas como o DNA, super-redes e sistema complexos

Termoestatística quântica: uma abordagem via estatísticas não-gaussianas

Considering a quantum gas, the foundations of standard thermostatistics are investigated in the context of non-Gaussian statistical mechanics introduced by Tsallis and Kaniadakis. The new formalism is based on the following generalizations: i) Maxwell- Boltzmann-Gibbs entropy and ii) deduction of H-theorem. Based on this investigation, we calculate a new entropy using a generalization of combinatorial analysis based on two different methods of counting. The basic ingredients used in the H-theorem were: a generalized quantum entropy and a generalization of collisional term of Boltzmann equation. The power law distributions are parameterized by parameters q;, measuring the degree of non-Gaussianity of quantum gas. In the limit q

Macrofauna de ambientes não consolidados adjacentes à recifes da área de proteção ambiental dos recifes de corais Rio Grande do Norte, Brasil

This study aimed to characterize, for the first time, the benthic invertebrates that inhabit the region of soft bottoms adjacent to the APARC reefs in order to situate them as an important component of infralittoral coastal areas of Northeast Brazil. Soft bottoms areas of APARC corresponds to infralittoral zones vegetated by seagrass Halodule wrightii and unvegetated infralittoral zones, both subjected to substantial hydrodynamic stress. Through scuba diving, biological and sedimentary samples of both habitats were analyzed, with a cylindrical sampler. We identified 6160 individuals belonging to 16 groups and 224 species. The most abundant macrofaunal group was Polychaeta (43%), followed by Mollusca (25%) and Crustacea (14%), what was expected for these environments. In the first chapter, regarding vegetated areas, we tested three hypotheses: the existence of differences in the faunal structure associated with H. wrightii banks submitted to different hydrodynamic conditions; the occurrence of minor temporal variations on the associated macrofauna of banks protected from hydrodynamic stress; and if the diversity of macrofauna is affected by both benthophagous predators and H. wrightii biomass. It was observed that macrofauna associated at the Exposed bank showed differences in structure when comparing the Protected bank, the granulometry of the sediments, that co-varies with the hydrodynamism, was the cause of these variations. The results also pointed to a lower temporal variation in the macrofaunal structure on the Protected bank and a negative relation between macrofaunal and benthophagous fish abundance. At the Exposed bank, a greater faunal diversity was observed, probably due to the higher seagrass biomass. The second chapter compares the vegetated and non-vegetated areas in order to test the hypothesis that due to greater seasonal stability in tropical environments, seagrass structure would act to distinguish the vegetated and non-vegetated areas macrofauna, over time. It was also expected that depositivores were the most representative invertebrates on non-vegetated environments, on the assumption that the seagrass bank would work as a source of debris to adjacent areas, enriching them. Considering all sampling periods, the total macrofauna abundance and diversity were higher in vegetated areas, when compared to non-vegetated ones. Seasonally, the structural complexity provided by Halodule differentiated more clearly the fauna from vegetated and non-vegetated areas, but only at the climatic extremes, i.e. Dry season (extreme climatic stability, with low hydronamism variation) and Rainy season (great hydrodynamism variation and probably vegetated bank burial). Furthermore, the high organic matter levels measured in the sandy banks coincided with an outstanding trophic importance of deposit feeders, proving the debris-carrying hypothesis. The last chapter focused on the non-vegetated areas, where we tested that the hypothesis infaunal halo in tropical reefs depending on local granulometry. In this context, we also tested the hypothesis that benthophagous fish predation would have an effect on the low abundance of macrofaunal groups due to the high hydrographic stress, thus allowing other predatory groups to have greater importance in these environments. Proving the hypothesis, no spatial variation, both on abundance families neither on community structure, occur along distance of the edge reefs. However, we found that complex combinations of physical factors (grain size and organic matter levels originated from local hydronamic conditions) covary with the distance from the reefs and has stronger influence on macrofauna than considered biological factors, such as predation by benthophagous fishes. Based on the main results, this study shows that unconsolidated areas around APARC reefs are noteworthy from an ecological and conservational point of view, as evidenced by the biota-environment and organismal relations, never before described for these areas

Análise hidrodinâmica e morfodinâmica do complexo estuarino do Rio Piranhas-Açu/RN, Nordeste do Brasil

The aim of this study was the seasonal characterization of the morphology, sedimentology and hydrodynamic of the Açu, Cavalos and Conchas estuaries. These estuaries are inserted in a semi-arid climate area and form the mouth of the hydrographic basin of the Piranhas-Açu river, that represent the discharge of the largest watershed in the state. They are embedded in an environment consisting of a fluvial-marine floodplain, mangrove ecosystem, sandbanks, fields of dunes, spits and sandy beaches. Adjacent to the natural units are the main local socioeconomic activities (oil industry, salt industry, shrimp farming, fishing and tourism) are dependent on this river and its conservation. The environmental monitoring is necessary because it is an area under constant action of coastal processes and at high risk of oil spill. The acquisition and interpretation of hydrodynamic, sonographic and sediment data was conducted in two campaigns, dry season (2010) and rainy season (2011), using respectively the current profiler ADCP Doppler effect, the side-scan sonar and Van Veen sampler. In these estuaries: Açu, Cavalos and Conchas were identified the following types of bedforms: flatbed and Dunes 2-D and 3-D (small to medium size), generated at lower flow regime (Froude number <1). Structures such as ripples were observed in the Açu estuary mouth. The higher values of flow discharge and velocity were recorded in the Açu estuary (434,992 m³.s-¹ and 0,554 m.s-¹). In rainy season, despite the record of highest values of discharge and flow velocities at the mouth, the energy rates upstream did not differ much from the data of the dry season. However, in all estuaries were recorded an increase in speed and flow, with reservation to the flow in the Açu estuary and flow at the mouth of the Conchas estuary. Sediment grain sizes tend to increase towards the mouth of the estuary and these ranged from very fine sand to very coarse sand, medium sand fraction being the most recurrent. Based on the data acquired and analyzed, the estuaries Açu, Cavalos and Conchas are classified as mixed , dominated by waves and tides. According to their morphology, they are classified as estuaries constructed by bar and according to the classification by salinity, estuaries Conchas and Cavalos were ranked as hypersaline estuaries, and Açu as hypersaline and vertically well mixed type C

Estudo de simulação de modelos lineares mistos com distribuição normal contaminada no melhoramento genético animal

Objetivou-se com esse trabalho comparar estimativas de componentes de variâncias obtidas por meio de modelos lineares mistos Gaussianos e Robustos, via Amostrador de Gibbs, em dados simulados. Foram simulados 50 arquivos de dados com 1.000 animais cada um, distribuídos em cinco gerações, em dois níveis de efeito fixo e três valores fenotípicos distintos para uma característica hipotética, com diferentes níveis de contaminação. Exceto para os dados sem contaminação, quando os modelos foram iguais, o modelo Robusto apresentou melhores estimativas da variância residual. As estimativas de herdabilidade foram semelhantes em todos os modelos, mas as análises de regressão mostraram que os valores genéticos preditos com uso do modelo Robusto foram mais próximos dos valores genéticos verdadeiros. Esses resultados sugerem que o modelo linear normal contaminado oferece uma alternativa flexível para estimação robusta em melhoramento genético animal.