Análise global da estabilidade termodinâmica de misturas: um estudo com o método do conjunto gerador

O cálculo do equilíbrio de fases é um problema de grande importância em processos da engenharia, como, por exemplo, na separação por destilação, em processos de extração e simulação da recuperação terciária de petróleo, entre outros. Mas para resolvê-lo é aconselhável que se estude a priori a estabilidade termodinâmica do sistema, a qual consiste em determinar se uma dada mistura se apresenta em uma ou mais fases. Tal problema pode ser abordado como um problema de otimização, conhecido como a minimização da função distância do plano tangente à energia livre de Gibbs molar, onde modelos termodinâmicos, de natureza não convexa e não linear, são utilizados para descrevê-lo. Esse fato tem motivado um grande interesse em técnicas de otimização robustas e eficientes para a resolução de problemas relacionados com a termodinâmica do equilíbrio de fases. Como tem sido ressaltado na literatura, para proporcionar uma completa predição do equilíbrio de fases, faz-se necessário não apenas a determinação do minimizador global da função objetivo do teste de estabilidade, mas também a obtenção de todos os seus pontos estacionários. Assim, o desenvolvimento de metodologias para essa tarefa desafiadora tem se tornado uma nova área de pesquisa da otimização global aplicada à termodinâmica do equilíbrio, com interesses comuns na engenharia química e na engenharia do petróleo. O foco do presente trabalho é uma nova metodologia para resolver o problema do teste de estabilidade. Para isso, usa-se o chamado método do conjunto gerador para realizar buscas do tipo local em uma rede de pontos previamente gerada por buscas globais efetuadas com uma metaheurística populacional, no caso o método do enxame de partículas.Para se obter mais de um ponto estacionário, minimizam-se funções de mérito polarizadas, cujos pólos são os pontos previamente encontrados. A metodologia proposta foi testada na análise de quatorze misturas polares previamente consideradas na literatura. Os resultados mostraram que o método proposto é robusto e eficiente a ponto de encontrar, além do minimizador global, todos os pontos estacionários apontados previamente na literatura, sendo também capaz de detectar, em duas misturas ternárias estudadas, pontos estacionários não obtidos pelo chamado método de análise intervalar, uma técnica confiável e muito difundida na literatura. A análise do teste de estabilidade pela simples utilização do método do enxame de partículas associado à técnica de polarização mencionada acima, para a obtenção de mais de um ponto estacionário (sem a busca local feita pelo método do conjunto gerador em uma dada rede de pontos), constitui outra metodologia para a resolução do problema de interesse. Essa utilização é uma novidade secundária deste trabalho. Tal metodologia simplificada exibiu também uma grande robustez, sendo capaz de encontrar todos os pontos estacionários pesquisados. No entanto, quando comparada com a abordagem mais geral proposta aqui, observou-se que tal simplificação pode, em alguns casos onde a função de mérito apresenta uma geometria mais complexa, consumir um tempo de máquina relativamente grande, dessa forma é menos eficiente.

Far-field spot compression without energy loss in main lob in wireless laser communication

Far-field spot compression without energy loss in main lob is of great significance to wireless laser communication. In this letter, we propose two schemes to obtain far-field spot compression without energy loss in main lob. One scheme is based on the simulated annealing (SA) algorithm. Using SA algorithm, we design the phase profile of the diffractive phase element (DPE). Using the designed DPE, far-field spot compression without energy loss in main lob is achieved. The other scheme is based on YG algorithm. By means of YG algorithm, we appropriately designed the DPE in the emitting plane. Using the DPE, far-field spot compression without energy loss in main lob is obtained. (c) 2007 Elsevier GmbH. All rights reserved.

The statistical bootstrap model

A review is presented of the statistical bootstrap model of Hagedorn and Frautschi. This model is an attempt to apply the methods of statistical mechanics in high-energy physics, while treating all hadron states (stable or unstable) on an equal footing. A statistical calculation of the resonance spectrum on this basis leads to an exponentially rising level density ρ(m) ~ cm^-3 e^βom at high masses.

In the present work, explicit formulae are given for the asymptotic dependence of the level density on quantum numbers, in various cases. Hamer and Frautschi's model for a realistic hadron spectrum is described.

A statistical model for hadron reactions is then put forward, analogous to the Bohr compound nucleus model in nuclear physics, which makes use of this level density. Some general features of resonance decay are predicted. The model is applied to the process of NN annihilation at rest with overall success, and explains the high final state pion multiplicity, together with the low individual branching ratios into two-body final states, which are characteristic of the process. For more general reactions, the model needs modification to take account of correlation effects. Nevertheless it is capable of explaining the phenomenon of limited transverse momenta, and the exponential decrease in the production frequency of heavy particles with their mass, as shown by Hagedorn. Frautschi's results on "Ericson fluctuations" in hadron physics are outlined briefly. The value of β_o required in all these applications is consistently around [120 MeV]^-1 corresponding to a "resonance volume" whose radius is very close to ƛ_π. The construction of a "multiperipheral cluster model" for high-energy collisions is advocated.

Solar flare particle propagation--comparison of a new analytic solution with spacecraft measurements

A new analytic solution has been obtained to the complete Fokker-Planck equation for solar flare particle propagation including the effects of convection, energy-change, corotation, and diffusion with ĸ_r = constant and ĸ_Ɵ ∝ r². It is assumed that the particles are injected impulsively at a single point in space, and that a boundary exists beyond which the particles are free to escape. Several solar flare particle events have been observed with the Caltech Solar and Galactic Cosmic Ray Experiment aboard OGO-6. Detailed comparisons of the predictions of the new solution with these observations of 1-70 MeV protons show that the model adequately describes both the rise and decay times, indicating that ĸ_r = constant is a better description of conditions inside 1 AU than is ĸ_r ∝ r. With an outer boundary at 2.7 AU, a solar wind velocity of 400 km/sec, and a radial diffusion coefficient ĸ_r ≈ 2-8 x 10²⁰ cm²/sec, the model gives reasonable fits to the time-profile of 1-10 MeV protons from "classical" flare-associated events. It is not necessary to invoke a scatter-free region near the sun in order to reproduce the fast rise times observed for directly-connected events. The new solution also yields a time-evolution for the vector anisotropy which agrees well with previously reported observations.

In addition, the new solution predicts that, during the decay phase, a typical convex spectral feature initially at energy T_o will move to lower energies at an exponential rate given by T_KINK = T_oexp(-t/Ƭ_KINK). Assuming adiabatic deceleration and a boundary at 2.7 AU, the solution yields Ƭ_KINK ≈ 100h, which is faster than the measured ~200h time constant and slower than the adiabatic rate of ~78h at 1 AU. Two possible explanations are that the boundary is at ~5 AU or that some other energy-change process is operative.

NEW METHODOLOGY FOR FEEDER RECONFIGURATION IN DISTRIBUTION NETWORKS WITH DISTRIBUTED ENERGY RESOURCES

This doctoral Thesis defines and develops a new methodology for feeder reconfiguration in distribution networks with Distributed Energy Resources (DER). The proposed methodology is based on metaheuristic Ant Colony Optimization (ACO) algorithms. The methodology is called Item Oriented Ant System (IOAS) and the doctoral Thesis also defines three variations of the original methodology, Item Oriented Ant Colony System (IOACS), Item Oriented Max-min Ant System (IOMMAS) y Item Oriented Max-min Ant Colony System (IOACS). All methodologies pursue a twofold objective, to minimize the power losses and maximize DER penetration in distribution networks. The aim of the variations is to find the algorithm that adapts better to the present optimization problem, solving it most efficiently. The main feature of the methodology lies in the fact that the heuristic information and the exploitation information (pheromone) are attached to the item not to the path. Besides, the doctoral Thesis proposes to use feeder reconfiguration in order to increase the distribution network capacity of accepting a major degree of DER. The proposed methodology and its three variations have been tested and verified in two distribution networks well documented in the existing bibliography. These networks have been modeled and used to test all proposed methodologies for different scenarios with various DER penetration degrees.

On the Dynamics of the Adenylate Energy System: Homeorhesis vs Homeostasis

Biochemical energy is the fundamental element that maintains both the adequate turnover of the biomolecular structures and the functional metabolic viability of unicellular organisms. The levels of ATP, ADP and AMP reflect roughly the energetic status of the cell, and a precise ratio relating them was proposed by Atkinson as the adenylate energy charge (AEC). Under growth-phase conditions, cells maintain the AEC within narrow physiological values, despite extremely large fluctuations in the adenine nucleotides concentration. Intensive experimental studies have shown that these AEC values are preserved in a wide variety of organisms, both eukaryotes and prokaryotes. Here, to understand some of the functional elements involved in the cellular energy status, we present a computational model conformed by some key essential parts of the adenylate energy system. Specifically, we have considered (I) the main synthesis process of ATP from ADP, (II) the main catalyzed phosphotransfer reaction for interconversion of ATP, ADP and AMP, (III) the enzymatic hydrolysis of ATP yielding ADP, and (IV) the enzymatic hydrolysis of ATP providing AMP. This leads to a dynamic metabolic model (with the form of a delayed differential system) in which the enzymatic rate equations and all the physiological kinetic parameters have been explicitly considered and experimentally tested in vitro. Our central hypothesis is that cells are characterized by changing energy dynamics (homeorhesis). The results show that the AEC presents stable transitions between steady states and periodic oscillations and, in agreement with experimental data these oscillations range within the narrow AEC window. Furthermore, the model shows sustained oscillations in the Gibbs free energy and in the total nucleotide pool. The present study provides a step forward towards the understanding of the fundamental principles and quantitative laws governing the adenylate energy system, which is a fundamental element for unveiling the dynamics of cellular life.

Cr^4＋：YAG被动调QNd：YAG陶瓷激光器的研究

介绍了近几年迅速发展的一种新型激光介质——透明Nd：YAG多晶陶瓷的发展状况，对比分析了多晶陶瓷与单晶的光谱特性、激光特性和连续实验研究情况。并对钛宝石激光器调谐至808nm，端面抽运Nd：YAG陶瓷被动调Q全固态激光器的脉冲运转进行了较为详细的理论分析和实验研究。采用初始透射率为90％的Cr^4＋：YAG可饱和吸收晶体，被动调Q的阈值功率为119mW，当端面抽运功率为465mW时，获得波长为1064nm，脉宽为16ns，重复频率为18．18kHz，单脉冲能量为3．4μJ，平均输出功率为61mW的稳定调Q

A Q-swicthed all-solid-state single-longitudinal-mode laser with adjustable pulse-width and high repetition rate

A single-longitudinal-mode (SLM) laser-diode pumped Nd: YAG laser with adjustable pulse width is developed by using the techniques of pre-lasing and changing polarization of birefingent crystal. The Q-switching voltage is triggered by the peak of the pre-lasing pulse to achieve the higher stability of output pulse energy. The output energy of more than 1 mJ is obtained with output energy stability of 3% (rms) at 100 Hz. The pulse-width can be adjusted from 30 ns to 300 ns by changing the Q-switching voltage. The probability of putting out single-longitudinal-mode pulses is almost 100%. The laser can be run over four hours continually without mode hopping.

Stability against crystallization and spectroscopic properties of Tm3+ doped fluorophosphate glasses

Fluorophosphate glasses with various content of Al(PO3)(3) were prepared. With the increment of Al(PO3)(3) content, density decreases while refractive index increases, and transition temperature, crystallization peak temperature and melt temperature increase which were suggested by differential scanning calorimetry. These glasses exhibit the best stability against crystallization with 7-9 mol'Yo Al(PO3)(3) content. Normalized Raman spectra were used to analyze structure and phonon state. The increment of Al(PO3)(3) content does not affect phonon energy but results in the augment of phonon density. Absorption spectra were measured. H-3(6) -> F-3(4) transition exhibits absorption at L band of the third communication window. Compared with the energy of Tm3+ excited states in other glass system, F-3(4) energy of Tm3+ in these glasses is considerable higher and H-3(4) energy is considerable lower, and it can be predicted that emission band of H-3(4) -> F-3(4) transition is close to the amplified band of gain-shift Tm3+ doped fiber amplifier. Analyses of Judd-Ofelt theory suggest when Al(PO3)(3) content is no more than 7 mol%, Judd-Ofelt parameters Omega(t) and the lifetime of H-3(4) energy level of TM3+ vary little with the increment of Al(PO3)(3) content, and when Al(PO3)(3) content is more than 7 mol%, Omega(2) and Omega(6) increase and radiative lifetime of H-3(4) energy level of Tm3+ drops sharply with the increment of Al(PO3)(3) content. (c) 2006 Elsevier B.V. All rights reserved.

Energy transfer and infrared-to-visible upconversion luminescence of Er3+/Yb3+-codoped halide modified tellurite glasses

We report on the energy transfer and frequency upconversion spectroscopic properties of Er3+-doped and Er3+/Yb3+-codoped TeO2-ZnO-Na2O-PbCl2 halide modified tellurite glasses upon excitation with 808 and 978 nm laser diode. Three intense emissions centered at around 529, 546 and 657 nm, alongwith a very weak blue emission at 4 10 nm have clearly been observed for the Er3+/Yb3+-codoped halide modified tellurite glasses upon excitation at 978 nm and the involved mechanisms are explained. The quadratic dependence of fluorescence on excitation laser power confirms the fact that the two-photon contribute to the infrared to green-red upconversion emissions. And the blue upconversion at 410 nm involved a sequential three-photon absorption process. (c) 2005 Elsevier Ltd. All rights reserved.

Infrared-to-visible upconversion fluorescence of Er3+-doped novel lithium-barium-lead-bismuth glass

Er3+-doped lithium-barium-lead-bismuth glass for developing upconversion lasers has been fabricated and characterized. The Judd-Ofelt intensity parameters Omega(t) (t = 2, 4, 6), calculated based on the experimental absorption spectrum and Judd-Ofelt theory, were found to be Omega(2) = 3.05 x 10(-20) cm(2), Omega(4) = 0.95 x 10(-20) cm(2), and Omega(6) = 0.39 x 10(-20) cm(2). Under 975 nm excitation, intense green and red emissions centered at 525, 546, and 657 nm, corresponding to the transitions H-2(11/2) -> I-4(15/2), S-4(3/2) -> I-4(15/2), and F-4(9/2) -> I-4(15/2), respectively, were observed at room temperature. The upconversion mechanisms are discussed based on the energy matching and quadratic dependence on excitation power, and the dominant mechanisms are excited state absorption and energy transfer upconversion for the green and red emissions. The long-lived I-4(11/2) level is supposed to serve as the intermediate state responsible for the intense upconversion processes. The intense upconversion luminescence of Er3+-doped lithium-barium-lead-bismuth glass may be a potentially useful material for developing upconversion optical devices. (c) 2004 Elsevier B.V. All rights reserved.

Upconversion fluorescence property of Er3+/Yb3+-codoped novel bismuth-germanium glass

Infrared-to-visible upconversion fluorescence property of Er3+/Yb3+ codoped novel bismuth-germanium glass under 975 nm LD excitation has been studied. Intense green and red emissions centered at 525, 546 and 657 nm, corresponding to the transitions H-2(11/2) -> I-4(15/2), S-4(3/2) -> I-4(15/2), and F-4(9/2) -> I-4(15/2), respectively, were observed at room temperature. The quadratic dependence of the 525, 546 and 657 nm emissions on excitation power indicates that a two-photon absorption process occurs. The structure of the bismuth-germanium glass has been investigated by peak-deconvolution of FT-Raman spectrum, and the structural information was obtained from the peak wavenumbers. This novel bismuth-germanium glass with low maximum phonon energy (similar to 750 cm(-1)) can be used as potential host material for upconversion lasers. (c) 2005 Elsevier Ltd. All rights reserved.

Intense upconversion luminescence in ytterbium-sensitized thulium-doped novel oxychloride bismuth-germanium glass

Structural and up-conversion fluorescence properties in ytterbium-sensitized thulium-doped novel oxychloride bismuth-germanium glass have been studied. The structure of novel bismuth-germanium glass was investigated by peak-deconvolution of Raman spectrum, and the structural information was obtained from the peak wave numbers. The Raman spectrum investigation indicates that PbCl2 plays an important role in the formation of glass network, and has an important influence on the up-conversion luminescence. Intense blue and weak red emissions centered at 477 and 650 mn, corresponding to the transitions 1G(4) -> H-3(6) and (1)G(4) -> H-3(4), respectively, were observed at room temperature. The possible up-conversion mechanisms are discussed and estimated. This novel oxychloride bismuth-germanium glass with low maximum phonon energy (similar to 730 cm(-1)) can be used as potential host material for up-conversion lasers. (c) 2005 Elsevier Ltd. All rights reserved.

Structural and upconversion fluorescence properties of Er3+/Yb3+-codoped oxychloride lead-germanium-bismuth glass

Structural and infrared-to-visible upconversion fluorescence properties of Er3+/Yb3+-codoped oxychloride lead-germanium-bismuth glass have been studied. The Raman spectrum investigation indicates that PbCl2 plays an important role in the formation of glass network, and has an important influence on the upconversion luminescence owing to lower phonon energy. Intense green and red emissions centered at 525, 546, and 657 nm, corresponding to the transitions H-2(11/2)-->I-4(15/2,) I-4(3/2)-->I-4(15/2), and F-4(9/2)-->I-4(15/2), respectively, were observed at room temperature. The quadratic dependence of the 525, 546, and 657 nm emissions on excitation power indicates that a two-photon absorption process occurs under 975 nm excitation. (C) 2004 Elsevier Ltd. All rights reserved.

Optical transitions of Er3+ and Yb3+ ions in novel oxyfluoride bismuth-germanium glass: Observation of up-conversion

Er3+/Yb3+-codoped novel oxyfluoride bismuth-germanium glass was prepared and its up-conversion fluorescence property under 975 nm excitation has been studied. Intense green and weak red emissions centered at 525, 546, and 657 nm, corresponding to the transitions 2H(11/2) -> I-4(15/2), S-4(3/2) -> I-4(15/2), and F-4(9/2) -> I-4(15/2), respectively, were observed at room temperature. The possible up-conversion mechanism was also evaluated. The optimal Yb3+-Er3+ concentration ratio is found based on the direct lifetime measurements of excited levels for Er3+ ion. The structure of this novel oxyfluoride bismuth-germanium glass has been investigated by peak-deconvolution of FT-Raman spectrum, and the structural information was obtained from the peak wavenumbers. This novel oxyfluoride bismuth-germanium glass with relatively lower maximum phonon energy (similar to 731 cm(-1)) can be used as potential host material for up-conversion lasers. (c) 2005 Elsevier B.V. All rights reserved.