922 resultados para Helmholtz free energy
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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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The objective of this work is to develop a non-stoichiometric equilibrium model to study parameter effects in the gasification process of a feedstock in downdraft gasifiers. The non-stoichiometric equilibrium model is also known as the Gibbs free energy minimization method. Four models were developed and tested. First a pure non-stoichiometric equilibrium model called M1 was developed; then the methane content was constrained by correlating experimental data and generating the model M2. A kinetic constraint that determines the apparent gasification rate was considered for model M3 and finally the two aforementioned constraints were implemented together in model M4. Models M2 and M4 showed to be the more accurate among the four developed models with mean RMS (root mean square error) values of 1.25 each.Also the gasification of Brazilian Pinus elliottii in a downdraft gasifier with air as gasification agent was studied. The input parameters considered were: (a) equivalence ratio (0.28-035); (b) moisture content (5-20%); (c) gasification time (30-120 min) and carbon conversion efficiency (80-100%). (C) 2014 Elsevier Ltd. All rights reserved.
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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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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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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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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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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
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Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)
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Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
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Pós-graduação em Reabilitação Oral - FOAR