Final report on heat pump developments in WP 4 - MacSheep Deliverable 4.4 : MacSheep -New Materials and Control for a next generation of compact combined Solar and heat pump systems with boosted energetic and exergetic performance

FP7- MacSheep

Combined Vertical And Lateral Channel Evolution Numerical Modeling

Vertical stream bed erosion has been studied routinely and its modeling is getting widespread acceptance. The same cannot be said with lateral stream bank erosion since its measurement or numerical modeling is very challenging. Bank erosion, however, can be important to channel morphology. It may contribute significantly to the overall sediment budget of a stream, is a leading cause of channel migration, and is the cause of major channel maintenance. However, combined vertical and lateral channel evolution is seldom addressed. In this study, a new geofluival numerical model is developed to simulate combined vertical and lateral channel evolution. Vertical erosion is predicted with a 2D depth-averaged model SRH-2D, while lateral erosion is simulated with a linear retreat bank erosion model developed in this study. SRH-2D and the bank erosion model are coupled together both spatially and temporally through a common mesh and the same time advancement. The new geofluvial model is first tested and verified using laboratory meander channels; good agreement are obtained between predicted bank retreat and measured data. The model is then applied to a 16-kilometer reach of Chosui River, Taiwan. Vertical and lateral channel evolution during a three-year period (2004 to 2007) is simulated and results are compared with the field data. It is shown that the geofluvial model correctly captures all major erosion and deposition patterns. The new model is shown to be useful for identifying potential erosion sites and providing information for river maintenance planning.

Toward an understanding of intermediate- and short-range defects in ZnO single crystals. A combined experimental and theoretical study

A joint use of experimental and theoretical techniques allows us to understand the key role of intermediate- and short-range defects in the structural and electronic properties of ZnO single crystals obtained by means of both conventional hydrothermal and microwave-hydrothermal synthesis methods. X-ray diffraction, Raman spectra, photoluminescence, scanning electronic and transmission electron microscopies were used to characterize the thermal properties, crystalline and optical features of the obtained nano and microwires ZnO structures. In addition, these properties were further investigated by means of two periodic models, crystalline and disordered ZnO wurtzite structure, and first principles calculations based on density functional theory at the B3LYP level. The theoretical results indicate that the key factor controlling the electronic behavior can be associated with a symmetry breaking process, creating localized electronic levels above the valence band.

Thermoeconomic analysis method for optimization of combined heat and power systems

This article presents an thermoeconomic analysis of cogeneration plants, applied as a rational technique to produce electric power and saturated steam. The aim of this new methodology is the minimum exergetic manufacturing cost (EMC), based on the Second Law of Thermodynamics. The decision variables selected for the optimization are the pressure and the temperature of the steam leaving the boiler in the case of using steam turbine, and the pressure ratio, turbine exhaust temperature and mass flow in the case of using gas turbines. The equations for calculating the capital costs of the components and products are formulated as a function of these decision variables. An application of the method using real data of a multinational chemical industry located in São Paulo state is presented. The conditions which establish the minimum cost are presented as finals conclusions.

Thermoeconomic analysis method for optimization of combined heat and power systems - part II

In this paper, a thermoeconomic functional analysis method based on the Second Law of Thermodynamics and applied to analyze four cogeneration systems is presented. The objective of the developed technique is to minimize the operating costs of the cogeneration plant, namely exergetic production cost (EPC), assuming fixed rates of electricity production and process steam in exergy base. In this study a comparison is made between the same four configurations of part I. The cogeneration system consisting of a gas turbine with a heat recovery steam generator, without supplementary firing, has the lowest EPC. (C) 2004 Published by Elsevier Ltd.

Effect of combined hormonal and insulin therapy on the steroid hormone receptors and growth factors signalling in diabetic mice prostate

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

Differences in gastroprotective and mutagenic actions between polar and apolar extracts of Ananas ananassoides

Several plants are used in folk medicine to treat gastrointestinal disorders. Ananas ananassoides (Baker) L. B. Smith (Family Bromeliaceae) is a medicinal plant commonly used in the central region of Brazil against gastric pain. We evaluated two extracts (methanol [MeOH] and dichloromethane [DCM]) obtained from the leaves of A. ananassoides for their ability to protect the gastric mucosa against injuries caused by necrotizing agents (0.3 M HCl/60% ethanol, absolute ethanol, non-steroidal anti-inflammatory drugs, and pylorus ligation) in mice and rats. The best results were obtained after pretreatment with the DCM extract, whereas the MeOH extract did not show any significant anti-ulcerogenic activity but presented mutagenic action. The mechanism of action of the DCM extract suggested the effective participation of endogenous sulfhydryl group in the gastroprotective action. The data, taken together with the absence of acute toxicity and mutagenicity, indicate the apolar extract, instead of the polar, extract of A. ananassoides as a safe and potential new anti-ulcerogenic drug.

Three-dimensional solitons in cross-combined linear and nonlinear optical lattices

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

Combined experimental and theoretical investigations of the photoluminescent behavior of Ba(Ti,Zr)O-3 thin films

The correlation between experimental data and theoretical calculations have been investigated to explain the photoluminescence at room temperature of Ba(Ti0.75Zr0.25)O-3 (BTZ) thin films prepared by the polymeric precursor method. The degree of structural order-disorder was investigated by X-ray diffraction, Fourier transform infrared spectroscopy, ultraviolet-visible absorption spectroscopy and photoluminescence (PL) measurements. First-principles quantum mechanical calculations based on density functional theory (B3LYP level) were employed to study the electronic structure of ordered and deformed asymmetric models. The electronic properties are analyzed and the relevance of the present theoretical and experimental results on the PL behavior is discussed. The presence of localized electronic levels and a charge gradient in the band gap due to a break in symmetry, are responsible for the PL in disordered BTZ lattice. (c) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Piezoelectric behaviour of PZT doped with calcium: A combined experimental and theoretical study

An experimental and theoretical study on the piezoelectric behaviour of PZT doped with a range of calcium ion concentrations is presented. A systematic study of the effect on the piezoelectric properties of PZT doped with various concentrations of CaO at constant sintering temperature and sintering time was carried out. The remanent polarization, planar coupling factor and frequency-thickness constant increase with calcium concentration. Ab initio perturbed ion calculations show that the lattice energy decreases with calcium addition for both tetragonal and rhombohedral phases of PZT.

Thermoeconomic analysis method for optimization of combined heat and power systems. Part I

This article presents a thermoeconomic analysis of cogeneration plants, applied as a rational technique to produce electric power and saturated steam. The aim of this new methodology is the minimum Exergetic Production Cost (EPC), based on the Second Law of Thermodynamics. The variables selected for the optimization are the pressure and the temperature of the steam leaving the boiler in the case of using steam turbine, and the pressure ratio, turbine exhaust temperature and mass flow in the case of using gas turbines. The equations for calculating the capital costs of the components and products are formulated as a function of these decision variables. An application of the method using real data of a multinational chemical industry located in São Paulo state is presented. The conditions which establish the minimum cost are presented as final output. (C) 2003 Elsevier Ltd. All rights reserved.

Origin of photo luminescence in SrTiO3: a combined experimental and theoretical study

A joint experimental and theoretical study has been carried out to rationalize the photoluminescence properties of SrTiO3 perovskite thin films synthesized through a soft chemical processing. Only the amorphous samples present photoluminescence at room temperature. From the theoretical side, first principles quantum mechanical techniques, based on density functional theory at B3LYP level, have been employed to study the electronic structure of a crystalline (ST-c) and an asymmetric (ST-a) model. Electronic properties are analyzed in the light of the experimental results and their relevance in relation to the PL behavior of ST is discussed. (C) 2004 Elsevier B.V. All rights reserved.

Combined experimental and theoretical study to understand the photoluminescence of Sr1-xTiO3-x

A joint experimental and theoretical study has been carried out to rationalize the results of visible photoluminescence measurements at room temperature on Sr1-xTiO3-x (ST) perovskite thin films. From the experimental side, ST thin films, x = 0 to 0.9, have been synthesized following soft chemical processing, and the corresponding photoluminescence properties have been measured. First principles quantum mechanical techniques, based on density functional theory at the B3LYP level, have been employed to study the electronic structure of a crystalline, stoichiometric (x = 0) ST-s model and a nonstoichiometric (SrO-deficient, x not equal 0) and structurally disordered ST-d model. The relevance of the present theoretical and experimental results of the photoluminescence behavior of ST is discussed. The optical spectra and the calculations indicate that the symmetry-breaking process on going from ST-s to ST-d creates electronic levels in the valence band. Moreover, an analysis of the Mulliken charge distribution reveals a charge gradient in the structure. These combined effects seem to be responsible for the photoluminescence behavior of deficient Sr1-xTiO3-x.

On the stabilizing behavior of zirconia: A combined experimental and theoretical study

Reactive zirconia powder was synthesized by the complexation of zirconium metal from zirconium hydroxide using a solution of 8-hydroxiquinoline. The kinetics of zirconia crystallization was followed by X-ray diffraction, scanning electron microscopy and surface area measured by the nitrogen adsorption/desorption technique. The results indicated that zirconia with a surface area as high as 100 m(2)/g can be obtained by this method after calcination at 500degreesC. Zirconia presents three polymorphic phases (monoclinic, tetragonal and cubic), which are reversibly interconversible. The cluster model Zr4O8 and Z(r)4O(7)(+2) was used for a theoretical study of the stabilization process. The ab initio RHF method was employed with the Gaussian94 program and the total energies and the energy gap of the different phases were calculated and compared with the experimental energy gap. The theoretical results show good reproducibility of the energy gap for zirconia. (C) 2004 Kluwer Academic Publishers.