921 resultados para Gibbs free energy


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Nesta dissertação obtemos a força de Casimir a temperatura finita entre duas linhas paralelas sujeitas a condição de fronteira do tipo linhas mistas, no contexto da teoria de Maxwell- Chern-Simons em (2+1) dimensões. Além disso, analisamos a simetria de inversão de temperatura apresentada pela energia livre de Helmholtz do modelo para diferentes condições de fronteira. Iniciamos estudando aspectos gerais do formalismo de Matsubara no intuito de introduzirmos efeitos térmicos na teoria; também analisamos aspectos gerais da teoria de MCS em (2 + 1) dimensões. Posteriormente, revisitamos o cálculo da força de Casimir para o caso de duas linhas paralelas infinitamente permeáveis magneticamente a temperatura nula e finita, bem como o caso de linhas mistas a temperatura nula, onde tomamos uma linha perfeitamente condutora eletricamente e outra infinitamente permeável magneticamente. Em seguida, apresentamos novos resultados envolvendo a força de Casimir a temperatura finita com condições de fronteira do tipo linhas mistas. Por último, analisamos a simetria de inversão de temperatura associada a energia livre de Helmholtz do modelo, mostrando que mesmo para condições mistas e possível obter uma espécie de simetria residual, em analogia a resultados existentes para a eletrodinâmica em (3+1) dimensões.

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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

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INTRODUCTION: Regenerative therapies using biomaterials require accurate information on interactions between the implanted material and the human body. To improve the process of bone regeneration it is necessary to obtain a better understanding of the influence of the surfaces on the early stages of osseointegration. This work aims to investigate the dynamic interaction between simulated body fluid (SBF) and titanium surfaces (Ti cp) immediately after their first contact. METHODS: Ti cp samples were passed through physicochemical treatments after immersion in acid solution, alkaline solution and solutions containing TiO2 and Ca2+, to obtain three different surfaces. These were characterized by electron microscopy and free energy estimates. The evaluation of the interaction with SBF was performed by measuring the dynamic contact angles after contacting the surfaces. RESULTS: The effects of SBF wettability were more significant on surfaces according to high energy estimates. A comparative analysis of the three types of surfaces showed that fluid spreading was greater in samples with greater polar components, indicating that the surface nature influences interactions in the early stages of osseointegration. CONCLUSION: The results indicate the influence of polar interactions in the dynamic wettability of the SBF. It is possible that these interactions can also influence cellular viability on surfaces. Based on these results, new experiments are being designed to improve the presented methodology as a tool for the evaluation of biomaterials without the need for in vivo experiments.

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A significant increase of surface hydrophilicity of copper and gold surfaces was obtained after atmospheric pressure plasma treatment using the surface dielectric barrier discharge with specific electrode geometry, the so-called diffuse coplanar surface barrier discharge. Surface wettability was estimated using the sessile drop method with further calculation of the surface free energy. After the plasma treatments, it was observed that the treated surfaces exhibited hydrophobic recovery (or aging effect). The aging effect was studied in different storage environments, such as air, low and high vacuum. The role of plasma and the reasons of the following aging effect are discussed with respect to the observed hydrophilic recovery after immersing the aged surfaces into deionized water. The changes in the surface morphology, composition and bond structure are presented and discussed as well. (C) 2013 Elsevier B. V. All rights reserved.

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A theoretical approach aiming at the prediction of segregation of dopant atoms on nanocrystalline systems is discussed here. It considers the free energy minimization argument in order to provide the most likely dopant distribution as a function of the total doping level. For this, it requires as input (i) a fixed polyhedral geometry with defined facets, and (ii) a set of functions that describe the surface energy as a function of dopant content for different crystallographic planes. Two Sb-doped SnO2 nanocrystalline systems with different morphology and dopant content were selected as a case study, and the calculation of the dopant distributions expected for them is presented in detail. The obtained results were compared to previously reported characterization of this system by a combination of HRTEM and surface energy calculations, and both methods are shown to be equivalent. Considering its application pre-requisites, the present theoretical approach can provide a first estimation of doping atom distribution for a wide range of nanocrystalline systems. We expect that its use will support the reduction of experimental effort for the characterization of doped nanocrystals, and also provide a solution to the characterization of systems where even state-of-art analytical techniques are limited.

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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

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Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

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C-13 and H-1 NMR data for a series of alpha-halo derivatives of o-xylene are presented. A dynamic H-1 NMR investigation of alpha,alpha,alpha',alpha'-tetrabromo-o-xylene (5) was performed and the spectrum of the most stable conformer at 213 K is presented. The free energy of activation for the rotation of the CHBr2 groups in 5 are determined for the first time. (C) 1997 Elsevier Science Ltd.

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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)