A equação de Poisson-Boltzmann em regiões com fronteira irregular

Propomos uma idealização da situação em que uma macromolécula é ionizada em um solvente. Neste modelo a área da superfície da molécula é suposta ser grande com respeito a seu diâmetro. A molécula é considerada como um dielétrico com uma distribuição de cargas em sua superfície. Utilizando as condições de transmissão, a distribuição de Boltzmann no solvente e resultados recentes sobre espaços de Sobolev no contexto de espaços métricos, bem como de integração sobre superfícies irregulares, o problema é formulado em forma variacional. Resultados clássicos do cálculo de variações permitem a resolução analítica do problema.

Curso de matematica para economistas: capitulo V: otimização dinamica

Os autores objetivam, com este trabalho, bem como com aqueles que lhe precederam (capítulos l, 2, 3 e 4) registrar as suas experiências ao longo dos últimos anos ministrando cadeiras de matemática nos cursos de pós-graduação em economia da Fundação Getúlio Vargas, da UFF (Universidade Federal Fluminense) e da PUC-RJ. Reveste-se de constante repetição em tais cursos a discussão sobre que pontos abordar, bem como com qual grau de profundidade e em que ordem. É neste sentido que os autores esperam. com a sequência didática aqui apresentada, trazer alguma contribuição para o assunto.

Reúso de água no processamento de jeans na indústria têxtil

This study aims to assess the potential for industrial reuse of textile wastewater, after passing through a physical and chemical pretreatment, into denim washing wet processing operations in an industrial textile laundry, with no need for complementary treatments and dilutions. The methodology and evaluation of the proposed tests were based on the production techniques used in the company and upgraded for the experiments tested. The characterization of the treated effluent for 16 selected parameters and the development of a monitoring able to tailor the treated effluent for final disposal in accordance with current legislation was essential for the initiation of testing for reuse. The parameters color, turbidity, SS and pH used were satisfactory as control variables and presents simple determination methods. The denim quality variables considered were: color, odor, appearance and soft handle. The tests were started on a pilot scale following complexity factors attributed to the processes, in denim fabric and jeans, which demonstrated the possibility of reuse, because there was no interference in the processes and at quality of the tested product. Industrial scale tests were initiated by a step control that confirmed the methodology efficiency applied to identify the possibility of reuse by tests that precede each recipe to be processed. 556 replicates were performed in production scale for 47 different recipes of denim washing. The percentage of water reuse was 100% for all processes and repetitions performed after the initial adjustment testing phase. All the jeans were framed with the highest quality for internal control and marketed, being accepted by contractors. The full-scale use of treated wastewater, supported by monitoring and evaluation and control methodology suggested in this study, proved to be valid in textile production, not given any negative impact to the quality the produced jeans under the presented conditions. It is believed that this methodology can be extrapolated to other laundries to determine the possibility of reuse in denim washing wet processing with the necessary modifications to each company.

Protein-Ion Binding Process on Finite Macromolecular Concentration. A Poisson-Boltzmann and Monte Carlo Study

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

pK determination. A mean field, Poisson-Boltzmann approach

A model describing dissociation of monoprotonic acid and a method for the determination of its pK value are presented. The model is based on a mean field approximation. The Poisson-Boltzmann equation, adopting spherical symmetry, is numerically solved, and the solution of its linearized form is written. By use of the pH values of a dilution experiment of galacturonic acid as the entry data, the proposed method allowed estimation of the value of pK = 3.25 at a temperature of 25 degrees C. Values for the complex dimensions and dissociation degree are calculated using experimental pH values for solution concentration values ranging from 0.1 to 60 mM. The present analysis leads to the conclusion that the Poisson-Boltzmann equation or its linear form is equally suited for the description of such systems.

Podolsky electromagnetism at finite temperature: Implications on the Stefan-Boltzmann law

Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)

Solution of the Poisson-Boltzmann equation for a system with four ionic species

The analytical solution of the Poisson-Boltzmann equation in an electrolyte with four ionic species (2:2:1:1), in the presence of a charged planar membrane or surface is presented. The function describing the mean electrical potential provides a convenient description that helps the understanding of electrical processes of biological interest.

INTEGRATION OF THE NONLINEAR POISSON BOLTZMANN-EQUATION FOR CHARGED VESICLES IN ELECTROLYTIC SOLUTIONS

The Poisson-Boltzmann equation (PBE), with specific ion-surface interactions and a cell model, was used to calculate the electrostatic properties of aqueous solutions containing vesicles of ionic amphiphiles. Vesicles are assumed to be water- and ion-permeable hollow spheres and specific ion adsorption at the surfaces was calculated using a Volmer isotherm. We solved the PBE numerically for a range of amphiphile and salt concentrations (up to 0.1 M) and calculated co-ion and counterion distributions in the inside and outside of vesicles as well as the fields and electrical potentials. The calculations yield results that are consistent with measured values for vesicles of synthetic amphiphiles.

pH at the micellar interface: Synthesis of pH probes derived from salicylic acid, acid-base dissociation in sodium dodecyl sulfate micelles, and Poisson-Boltzmann simulation

The study of the H+ concentration at the micellar interface is a convenient system for modeling the distribution of H+ at interfaces. We have synthesized salicylic acid derivatives to analyze the proton dissociation of both the carboxylic and phenol groups of' the probes, determining spectrophotometrically the apparent pK(a)'s (pK(ap)) in sodium dodecyl Sulfate, SDS, micelles with and without added salt. The synthesized probes were 2-hydroxy-5-(2-trimethylammoniumacetyl)benzoate; 2-hydroxy-5-(2-dimethylhexadecylammoniumacetyl)benzoate- 2-hydroxy-5-(2-dimethylhexadecylammoniumhexanoyl)benzoate-, 2-hydroxy-5-(2-diniethylhexadecylammoniumundecanoyl)betizoate; 2-hydroxy-5-acetylbenzoic acids and 2-hydroxy-5-dodecanoylbenzoic acid. Upon incorporation into SDS micelles the pK(ap)'s of both carboxylic and phenol groups increased by ca. 3 pH units and NaCl addition caused a decrease in the probe-incorporated pKap. The experimental results were fitted with a cell model Poisson-Boltzmann (P-B) equation taking in consideration the effect of salt on the aggregation number of SDS and using the distance of' the dissociating group as a parameter. The conformations of the probes were analyzed theoretically using two dielectric constants, e.g., 2 and 78. Both the P-B analysis and conformation calculations can be interpreted by assuming that the acid groups dissociate very close to, or at, the interface. Our results are consistent with the assumption that the intrinsic pK(a)'s of both carboxylic and phenol groups of the salicylic acid probes used here can be taken as those in water. Using this assumption the micellar and salt effects on the pKap's of the (trialkylammonium)benzoate probes were described accurately using a cell model P-B analysis. (c) 2005 Elsevier B.V. All rights reserved.

Uma metodologia para o controle de seguranca dinamica de sistemas de energia eletrica

This work presents an algorithm for the security control of electric power systems using control actions like generation reallocation, determined by sensitivity analysis (linearized model) and optimization by neural networks. The model is developed taking into account the dynamic network aspects. The preventive control methodology is developed by means of sensitivity analysis of the security margin related with the mechanical power of the system synchronous machines. The reallocation power in each machine is determined using neural networks. The neural network used in this work is of Hopfield type. These networks are dedicated electric circuits which simulate the constraint set and the objective function of an optimization problem. The advantage of using these networks is the higher speed in getting the solutions when compared to conventional optimization algorithms due to the great convergence rate of the process and the facility of the method parallelization. Then, the objectives are: formulate and investigate these networks implementations in determining. The generation reallocation in digital computers. Aiming to illustrate the proposed methodology an application considering a multi-machine system is presented.

El desarrollo regional diferenciado y la dinamica demografica en America Latina

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Estructura agraria y dinamica poblacional

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