Visualização do funil de enovelamento de proteínas

Pós-graduação em Biofísica Molecular - IBILCE

Controle coordenado de múltiplos dipositivos facts com vistas à estabilidade transitória de SEE

Pós-graduação em Engenharia Elétrica - FEIS

Visualization of Protein Folding Funnels in Lattice Models

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

Molecular properties of the PCO radical: heat of formation and the isomerization pathways

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

The formation of AlF by radiative association

The formation of the aluminium monofluoride molecule AlF by radiative association of the Al and F atoms is estimated. The radiative association of Al(P-2) and F(P-2) atoms is found to be dominated by the approach along the A(1) potential energy curve accompanied by spontaneous emission into the X-1 Sigma(+) ground state of the AlF. For temperatures ranging from 300 to 14 000 K, the rate coefficients are found to vary from 1.35 x 10(-17) to 9.31 x 10(-16) cm(3) s(-1), respectively. These values indicate that only a small amount of AlF molecules can be formed by radiative association in the inner envelope of carbon-rich stars and other hostile environments.

Exact Solution of the Elastica with Transverse Shear Effects

A new derivation of Euler's Elastica with transverse shear effects included is presented. The elastic potential energy of bending and transverse shear is set up. The work of the axial compression force is determined. The equation of equilibrium is derived using the variation of the total potential. Using substitution of variables an exact solution is derived. The equation is transcendental and does not have a closed form solution. It is evaluated in a dimensionless form by using a numerical procedure. Finally, numerical examples of laminates made of composite material (fiber reinforced) and sandwich panels are provided.

Cidades sustentáveis: análise comparativa com cidades contemporâneas

Currently the world is under an energy revolution, every day more technologies are developed in order to better use the energy for having better energy efficiency of equipment and processes with minimal environmental degradation. Taking into account that thousands of people live in built environments in the context of cities and that the energy flow to this location is significant, it is important to study the built environment as a potential source of savings, energy recovery and regeneration, because cities are the major bottlenecks energetic. Therefore, this study aimed to examine and to list the most important and promising technologies to be used in the built environment to collect or save energy that would be wasted, such as clothes that generate energy through movement or solar incidence, facades of buildings that generate energy due to solar radiation, fitness centers that produce electricity due to the rotation used in fitness equipment for athletes, elevators that take advantage of the potential energy or use it more rationally, generators that take advantage of energy vibrational, and finally more sustainable vehicles with higher performance and less degrading the environment. The information and results obtained from this study show that the technologies used to harness energy before lost are increasingly evident and also is increased the progress relative to the energy use in a urban context. In the closure, a comparison of energy expenditure between a city that uses some of these sustainable technologies and another of the same size with conventional habits is presented

Análise e simulação de modelos matemáticos para a estimativa da geração de gases em bioprocessos de decomposição anaeróbia de resíduos sólidos em aterros sanitários

Brazil faces a complex problem in respect to municipal solid waste, having been in recent years an increase of its generation without the country there be adequate for proper disposal thereof. In many states , the percentage of waste destined improperly , ie , in dumps , landfills, send- outs , among others , is greater than that disposed in landfills , which would be the most correct way to be made. It can be argued that this discrepancy is due to the high cost of implementation and operation of the landfill, and the same need large areas with physical characteristics that suit their operations . When there is a provision in properly constructed landfills , municipal solid waste grounded generate gases with high potential energy through biochemical reactions during the anaerobic decomposition of organic material stored . Such gases can be used for power generation within the landfill or other economic means . To estimate the gas generation will be sufficient for such economic compensation , there are mathematical models that make estimating the amount of gas produced . These models calculate the energy capacity and generation , using parameters obtained based on the characteristics of solid waste , climate of the region where they are grounded and grounding time . Such models have been raised and studied so that it was possible to perform simulations that demonstrate the behavior of biogas generation related to the external conditions of the landfill that interfere with biological reactions within. The results show differences between the values obtained , it shows that the preparation of the models found and used in the simulations were allocated amounts for different parameters that determine this difference in the estimate . Therefore, to rule, the models have difficulty understanding this because there is no clarity in the formulation of the equations , and the definition of variables and parameters would require a detailed study to...

Avaliação da auto-suficiência energética de reatores anaeróbicos aplicados ao tratamento de resíduos de uma cervejaria em escala piloto

This project aimed to analyze the feasibility of the methane yield associated to the anaerobic digestion of brewery residues, checking whether the energetic balance of the system is favorable. The methane yield efficiency was calculated for the parameters of two papers that treated solids with a particle-size <1mm. Theses solids are not degraded in conventional treatment systems. Calculations were based in the reactions of anaerobic degradation of the macromolecules that compose brewery residues, considering the theoretical production and the effective production of methane. The results were 50.44% and 52.86%. Regarding to the energy balance of the anaerobic treatment, we noted the high influence of the selection and operating regime of electrical equipment over the potential energy. The best situation, in which the energetic self-sufficiency was reached, was observed when using the mixer under an intermittent regime (1min/h), without employing the heating recirculator, for the maximum organic loading of 4.0 gVS/L.day (days 248-258). In this case, the system would generate an amount of energy equal to 0.0356 kWh/day, able to overcome the energy required by the equipment in about 6.5 times. Moreover, we also noted the interference of the application of different solid loadings in the reactors, once the application of the higher organic load generated 5 times more energy than the application of the smaller one

Monte Carlo simulation of water-tetrahydrofuran mixtures

Monte Carlo simulations of water-tetrahydrofuran (THF) mixtures were performed in the isothermal-isobaric ensemble (NPT) at T = 298 K and p = 1 atm. The interaction energy was calculated using the TIP4P model for water and a five-site united atom representation for the THF molecule. The potential energy surfaces for water-THF interactions were obtained by using combining rules and the original potential functions used for pure liquids. Theoretical values obtained for the average interaction energy as a function of concentration are in good agreement with available experimental data. Results from the partitioning of the total interaction energy into water-water, water-THF and THF-THF contributions are presented. These results are useful to distinguish between the quantitative contributions of these molecular interactions to the energetic behavior of the water-THF mixing process. The radial distribution functions for HW-OTHF and OW-OTHF site-site interactions show the salient features of hydrogen-bonded liquids. Comparison of the average number of water-water complexes interacting through hydrogen bonding in water-THF and water-methanol mixtures shows an enhancement of the water-water coordination number in a THF rich environment. © 1995.

Remodelagem de uma usina sucroalcooleira para incremento da cogeração de energia com aproveitamento do palhiço

Pós-graduação em Engenharia Mecânica - FEIS

Interpretação racional do ensaio DPL

Coordenação de Aperfeiçoamento de Pessoal de Nível Superior (CAPES)

Potential of municipal solid waste (MSW) as a source of energy in São Paulo: Its impact on CO2 balance

Energy generation is needed in São Paulo and MSW represents a promising alternative, although it is more expensive than hydroelectric power. About 14 900 t/day of MSW is generated, of which 8433 t/day is domestic and commercial MSW. From this amount, 1800 t will be destined to generate 30 MW of power. The eco-balance of CO2 has been considered for incineration and recycling. The recycling program of plastics, metals, paper and glass would represent a significant reduction in energy and CO2 emission. The total CO2 released is 3.34 x 10(5) t/yr without recycling. and is 1.25 x 10(5) t/yr with a recycling program. Most of the CO2 comes from plastics and paper production. Economic aspects could probably favor Incineration with energy production as the best option. (C) 1998 Published by Elsevier B.V. Ltd. All rights reserved.

Fermi pseudo-potential and energy-dependent point interactions in one dimension

There are point interactions in one dimension that can be interpreted as self-adjoint extensions (SAEs) of the kinetic energy [KE] operator. Here, we report the results obtained in two recent papers cited in [1]. In the first, we consider point interactions in one dimension in the form of the Fermi pseudo-potential, in one and two-channel cases. In the second, we consider a new type of point interactions that are self-adjoint and effectively energy-dependent. © 2005 American Institute of Physics.

Potential Application in Energy Harvesting of Intermodal Energy Exchange in a Frame: FEM Analysis

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