Recuperação e purificação de quitosanases usando adsorção em leito expandido com streamline DEAE com modelagem e simulação usando redes neurais

Expanded Bed Adsorption (EBA) is an integrative process that combines concepts of chromatography and fluidization of solids. The many parameters involved and their synergistic effects complicate the optimization of the process. Fortunately, some mathematical tools have been developed in order to guide the investigation of the EBA system. In this work the application of experimental design, phenomenological modeling and artificial neural networks (ANN) in understanding chitosanases adsorption on ion exchange resin Streamline® DEAE have been investigated. The strain Paenibacillus ehimensis NRRL B-23118 was used for chitosanase production. EBA experiments were carried out using a column of 2.6 cm inner diameter with 30.0 cm in height that was coupled to a peristaltic pump. At the bottom of the column there was a distributor of glass beads having a height of 3.0 cm. Assays for residence time distribution (RTD) revelead a high degree of mixing, however, the Richardson-Zaki coefficients showed that the column was on the threshold of stability. Isotherm models fitted the adsorption equilibrium data in the presence of lyotropic salts. The results of experiment design indicated that the ionic strength and superficial velocity are important to the recovery and purity of chitosanases. The molecular mass of the two chitosanases were approximately 23 kDa and 52 kDa as estimated by SDS-PAGE. The phenomenological modeling was aimed to describe the operations in batch and column chromatography. The simulations were performed in Microsoft Visual Studio. The kinetic rate constant model set to kinetic curves efficiently under conditions of initial enzyme activity 0.232, 0.142 e 0.079 UA/mL. The simulated breakthrough curves showed some differences with experimental data, especially regarding the slope. Sensitivity tests of the model on the surface velocity, axial dispersion and initial concentration showed agreement with the literature. The neural network was constructed in MATLAB and Neural Network Toolbox. The cross-validation was used to improve the ability of generalization. The parameters of ANN were improved to obtain the settings 6-6 (enzyme activity) and 9-6 (total protein), as well as tansig transfer function and Levenberg-Marquardt training algorithm. The neural Carlos Eduardo de Araújo Padilha dezembro/2013 9 networks simulations, including all the steps of cycle, showed good agreement with experimental data, with a correlation coefficient of approximately 0.974. The effects of input variables on profiles of the stages of loading, washing and elution were consistent with the literature

Modelagem dinâmica e simulação computacional de poços de petróleo verticais e direcionais com elevação por bombeio mecânico

LINS, Filipe C. A. et al. Modelagem dinâmica e simulação computacional de poços de petróleo verticais e direcionais com elevação por bombeio mecânico. In: CONGRESSO BRASILEIRO DE PESQUISA E DESENVOLVIMENTO EM PETRÓLEO E GÁS, 5. 2009, Fortaleza, CE. Anais... Fortaleza: CBPDPetro, 2009.

Algorítmo de mapeamento usando modelagem probabilística

SOUZA, Anderson A.S. ; MEDEIROS, Adelardo A. D. ; GONÇALVES, Luiz Marcos G. . Algorítmo de mapeamento usando modelagem probabilística. In: SIMPOSIO BRASILEIRO DE AUTOMAÇÃO INTELIGENTE, 2007, Natal. Anais... Natal, 2007.

Modelagem analítica e experimental da filtração em meios porosos

Deep bed filtration occurs in several industrial and environmental processes like water filtration and soil contamination. In petroleum industry, deep bed filtration occurs near to injection wells during water injection, causing injectivity reduction. It also takes place during well drilling, sand production control, produced water disposal in aquifers, etc. The particle capture in porous media can be caused by different physical mechanisms (size exclusion, electrical forces, bridging, gravity, etc). A statistical model for filtration in porous media is proposed and analytical solutions for suspended and retained particles are derived. The model, which incorporates particle retention probability, is compared with the classical deep bed filtration model allowing a physical interpretation of the filtration coefficients. Comparison of the obtained analytical solutions for the proposed model with the classical model solutions allows concluding that the larger the particle capture probability, the larger the discrepancy between the proposed and the classical models

Modelagem e previsão da perda de injetividade em poços canhoneados

Waterflooding is a technique largely applied in the oil industry. The injected water displaces oil to the producer wells and avoid reservoir pressure decline. However, suspended particles in the injected water may cause plugging of pore throats causing formation damage (permeability reduction) and injectivity decline during waterflooding. When injectivity decline occurs it is necessary to increase the injection pressure in order to maintain water flow injection. Therefore, a reliable prediction of injectivity decline is essential in waterflooding projects. In this dissertation, a simulator based on the traditional porous medium filtration model (including deep bed filtration and external filter cake formation) was developed and applied to predict injectivity decline in perforated wells (this prediction was made from history data). Experimental modeling and injectivity decline in open-hole wells is also discussed. The injectivity of modeling showed good agreement with field data, which can be used to support plan stimulation injection wells

Modelagem e simulação de um sistema de bombeio mecânico em poços direcionais utilizando parâmetros concentrados

This work aims presenting the development of a model and computer simulation of a sucker rod pumping system. This system take into account the well geometry, the flow through the tubing, the dynamic behavior of the rod string and the use of a induction motor model. The rod string were modeled using concentrated parameters, allowing the use of ordinary differential equations systems to simulate it s behavior

Análise da modelagem experimental da perda de injetividade

Injectivity decline, which can be caused by particle retention, generally occurs during water injection or reinjection in oil fields. Several mechanisms, including straining, are responsible for particle retention and pore blocking causing formation damage and injectivity decline. Predicting formation damage and injectivity decline is essential in waterflooding projects. The Classic Model (CM), which incorporates filtration coefficients and formation damage functions, has been widely used to predict injectivity decline. However, various authors have reported significant discrepancies between Classical Model and experimental results, motivating the development of deep bed filtration models considering multiple particle retention mechanisms (Santos & Barros, 2010; SBM). In this dissertation, inverse problem solution was studied and a software for experimental data treatment was developed. Finally, experimental data were fitted using both the CM and SBM. The results showed that, depending on the formation damage function, the predictions for injectivity decline using CM and SBM models can be significantly different

Modelagem do desempenho ambiental dos projetos de exploração e produção aplicando equações estruturais

A legislação ambiental e os principais agentes que se relacionam com a empresa se constituem em fatores exógenos que não podem ser negligenciados ao formular-se e avaliar-se a política ambiental corporativa. As influências exógenas e seus efeitos sobre a gestão ambiental e o gerenciamento de projetos de exploração e produção (E&P) e, por essa via, sobre o desempenho ambiental, foram objetos de estudo desta tese. Embora o desempenho ambiental seja um assunto relevante, a pesquisa sobre esse tema ainda é escassa. Tal carência desponta ainda mais acentuada quando se aborda o desempenho ambiental de projetos na indústria de petróleo e gás. O principal objetivo deste estudo foi avaliar a relação entre a legislação ambiental vigente, as ações de órgãos reguladores, fornecedores, empresas terceirizadas e comunidades locais e o desempenho ambiental dos projetos de E&P na indústria de petróleo e gás e, também, analisar os efeitos do sistema de gestão ambiental e o gerenciamento dos projetos sobre tal desempenho. Na fase abdutiva, foi conduzido um estudo de caso com abordagem qualitativa em uma grande empresa brasileira do setor de petróleo e gás, na fase dedutiva, foi realizada uma pesquisa survey explanatória de corte transversal com abordagem quantitativa, incluindo 113 projetos de E&P de cinco unidades executoras da empresa. Foi formulado um modelo conceitual, com cinco construtos e sete hipóteses de pesquisa, representativo dos efeitos de fatores externos sobre o desempenho ambiental dos projetos de E&P. Os dados foram tratados aplicando a Análise Fatorial Exploratória e a Modelagem de Equações Estruturais com aplicação dos softwares IBM® SPSS® Statistics 20.0 e IBM® SPSS® Amos 18.0. O modelo de equações estruturais foi reespecificado e estimado utilizando o método de Máxima Verossimilhança e o procedimento bootstrap com 2000 reamostragens, até alcançar adequados valores dos índices de ajustamento. O modelo mostrou boa aderência às evidências empíricas, representando uma teoria explicativa dos fatores que influenciam o desempenho ambiental dos projetos de E&P na empresa estudada. As estatísticas descritivas apontaram adequado desempenho dos projetos de E&P com relação aos efluentes descartados, volume de água reutilizada, redução de resíduos e práticas de reciclagem. Identificou-se que projetos de maior porte alcançam melhor desempenho ambiental em relação aos de menor tamanho. Não foram achadas diferenças significativas entre os desempenhos de projetos executados por unidades operacionais distintas. Os resultados da modelagem indicaram que nem a legislação ambiental, nem os agentes externos exercem influência significativa sobre a sistemática da gestão dos projetos de E&P. Os agentes externos atuam sobre a gestão ambiental da empresa exercitando capacidades colaborativas, obstrutivas e propositivas. A legislação ambiental é percebida como entrave ao desenvolvimento dos projetos ao longo de seu ciclo de vida, principalmente, pelas deficiências dos órgãos ambientais. Identificou-se que o sistema de gestão ambiental influencia diretamente o Programa de Desenvolvimento e Execução de Projetos de E&P, que, por sua vez, provoca efeitos diretos e indiretos sobre o desempenho ambiental. Finalmente, comprovou-se que o Sistema de Gestão Ambiental da empresa é determinante para o desempenho ambiental dos projetos de E&P, tanto pelos seus efeitos diretos, como pelos indiretos, estes últimos mediados pela sistemática de gestão dos projetos de E&P

Modelagem matemática para o transporte de partículas sujeitas a múltiplos mecanismos de retenção

Discrepancies between classical model predictions and experimental data for deep bed filtration have been reported by various authors. In order to understand these discrepancies, an analytic continuum model for deep bed filtration is proposed. In this model, a filter coefficient is attributed to each distinct retention mechanism (straining, diffusion, gravity interception, etc.). It was shown that these coefficients generally cannot be merged into an effective filter coefficient, as considered in the classical model. Furthermore, the derived analytic solutions for the proposed model were applied for fitting experimental data, and a very good agreement between experimental data and proposed model predictions were obtained. Comparison of the obtained results with empirical correlations allowed identifying the dominant retention mechanisms. In addition, it was shown that the larger the ratio of particle to pore sizes, the more intensive the straining mechanism and the larger the discrepancies between experimental data and classical model predictions. The classical model and proposed model were compared via statistical analysis. The obtained p values allow concluding that the proposed model should be preferred especially when straining plays an important role. In addition, deep bed filtration with finite retention capacity was studied. This work also involves the study of filtration of particles through porous media with a finite capacity of filtration. It was observed, in this case, that is necessary to consider changes in the boundary conditions through time evolution. It was obtained a solution for such a model using different functions of filtration coefficients. Besides that, it was shown how to build a solution for any filtration coefficient. It was seen that, even considering the same filtration coefficient, the classic model and the one here propposed, show different predictions for the concentration of particles retained in the porous media and for the suspended particles at the exit of the media

Biodegradação de hidrocarbonetos aromáticos policíclicos: prospecção metagenômica e modelagem computacional 3-D de proteínas

Knowledge of the native prokaryotes in hazardous locations favors the application of biotechnology for bioremediation. Independent strategies for cultivation and metagenomics contribute to further microbiological knowledge, enabling studies with non-cultivable about the "native microbiological status and its potential role in bioremediation, for example, of polycyclic aromatic hydrocarbons (HPA's). Considering the biome mangrove interface fragile and critical bordering the ocean, this study characterizes the native microbiota mangrove potential biodegradability of HPA's using a biomarker for molecular detection and assessment of bacterial diversity by PCR in areas under the influence of oil companies in the Basin Petroleum Geology Potiguar (BPP). We chose PcaF, a metabolic enzyme, to be the molecular biomarker in a PCR-DGGE detection of prokaryotes that degrade HPA s. The PCR-DGGE fingerprints obtained from Paracuru-CE, Fortim-CE and Areia Branca-RN samples revealed the occurrence of fluctuations of microbial communities according to the sampling periods and in response to the impact of oil. In the analysis of microbial communities interference of the oil industry, in Areia Branca-RN and Paracuru-CE was observed that oil is a determinant of microbial diversity. Fortim-CE probably has no direct influence with the oil activity. In order to obtain data for better understanding the transport and biodegradation of HPA's, there were conducted in silico studies with modeling and simulation from obtaining 3-D models of proteins involved in the degradation of phenanthrene in the transport of HPA's and also getting the 3-D model of the enzyme PcaF used as molecular marker in this study. Were realized docking studies with substrates and products to a better understanding about the transport mechanism and catalysis of HPA s

Modelagem molecular na caracterização eletrônica de oligopeptídeos e na descrição quântica da interação fármaco-receptor

In this dissertation, the theoretical principles governing the molecular modeling were applied for electronic characterization of oligopeptide α3 and its variants (5Q, 7Q)-α3, as well as in the quantum description of the interaction of the aminoglycoside hygromycin B and the 30S subunit of bacterial ribosome. In the first study, the linear and neutral dipeptides which make up the mentioned oligopeptides were modeled and then optimized for a structure of lower potential energy and appropriate dihedral angles. In this case, three subsequent geometric optimization processes, based on classical Newtonian theory, the semi-empirical and density functional theory (DFT), explore the energy landscape of each dipeptide during the search of ideal minimum energy structures. Finally, great conformers were described about its electrostatic potential, ionization energy (amino acids), and frontier molecular orbitals and hopping term. From the hopping terms described in this study, it was possible in subsequent studies to characterize the charge transport propertie of these peptides models. It envisioned a new biosensor technology capable of diagnosing amyloid diseases, related to an accumulation of misshapen proteins, based on the conductivity displayed by proteins of the patient. In a second step of this dissertation, a study carried out by quantum molecular modeling of the interaction energy of an antibiotic ribosomal aminoglicosídico on your receiver. It is known that the hygromycin B (hygB) is an aminoglycoside antibiotic that affects ribosomal translocation by direct interaction with the small subunit of the bacterial ribosome (30S), specifically with nucleotides in helix 44 of the 16S ribosomal RNA (16S rRNA). Due to strong electrostatic character of this connection, it was proposed an energetic investigation of the binding mechanism of this complex using different values of dielectric constants (ε = 0, 4, 10, 20 and 40), which have been widely used to study the electrostatic properties of biomolecules. For this, increasing radii centered on the hygB centroid were measured from the 30S-hygB crystal structure (1HNZ.pdb), and only the individual interaction energy of each enclosed nucleotide was determined for quantum calculations using molecular fractionation with conjugate caps (MFCC) strategy. It was noticed that the dielectric constants underestimated the energies of individual interactions, allowing the convergence state is achieved quickly. But only for ε = 40, the total binding energy of drug-receptor interaction is stabilized at r = 18A, which provided an appropriate binding pocket because it encompassed the main residues that interact more strongly with the hygB - C1403, C1404, G1405, A1493, G1494, U1495, U1498 and C1496. Thus, the dielectric constant ≈ 40 is ideal for the treatment of systems with many electrical charges. By comparing the individual binding energies of 16S rRNA nucleotides with the experimental tests that determine the minimum inhibitory concentration (MIC) of hygB, it is believed that those residues with high binding values generated bacterial resistance to the drug when mutated. With the same reasoning, since those with low interaction energy do not influence effectively the affinity of the hygB in its binding site, there is no loss of effectiveness if they were replaced.

Modelagem estocástica do índice de radiação ultravioleta na costa leste do nordeste do Brasil

The increase in ultraviolet radiation (UV) at surface, the high incidence of non-melanoma skin cancer (NMSC) in coast of Northeast of Brazil (NEB) and reduction of total ozone were the motivation for the present study. The overall objective was to identify and understand the variability of UV or Index Ultraviolet Radiation (UV Index) in the capitals of the east coast of the NEB and adjust stochastic models to time series of UV index aiming make predictions (interpolations) and forecasts / projections (extrapolations) followed by trend analysis. The methodology consisted of applying multivariate analysis (principal component analysis and cluster analysis), Predictive Mean Matching method for filling gaps in the data, autoregressive distributed lag (ADL) and Mann-Kendal. The modeling via the ADL consisted of parameter estimation, diagnostics, residuals analysis and evaluation of the quality of the predictions and forecasts via mean squared error and Pearson correlation coefficient. The research results indicated that the annual variability of UV in the capital of Rio Grande do Norte (Natal) has a feature in the months of September and October that consisting of a stabilization / reduction of UV index because of the greater annual concentration total ozone. The increased amount of aerosol during this period contributes in lesser intensity for this event. The increased amount of aerosol during this period contributes in lesser intensity for this event. The application of cluster analysis on the east coast of the NEB showed that this event also occurs in the capitals of Paraiba (João Pessoa) and Pernambuco (Recife). Extreme events of UV in NEB were analyzed from the city of Natal and were associated with absence of cloud cover and levels below the annual average of total ozone and did not occurring in the entire region because of the uneven spatial distribution of these variables. The ADL (4, 1) model, adjusted with data of the UV index and total ozone to period 2001-2012 made a the projection / extrapolation for the next 30 years (2013-2043) indicating in end of that period an increase to the UV index of one unit (approximately), case total ozone maintain the downward trend observed in study period

Esporte como experiência estética e educativaEsporte educativa: uma abordagem fenomenológica

This paper deals with sport as a possibility of disclosing the sensible, and defends the idea that being a sportsperson equals living an aesthetic and educative experience in which one can interacts with the sensible by the athletic body s reverberation of sensations in the dimension of the experienced. We try to answer, in our work, basically three questions: what moves the athlete when practicing a sport? Which are the meanings and motivations for the practice of sports? At what measure the athlete s experience gains an educational character? Sport is debated in this work as an extension of the living, as long as it tries to understand the meanings inherent to sport itself as well as to the sportive experience as a kind of education. In support of our argument, we give a theoretic and philosophical approach to our thesis, based on thinkers like Maurice Merleau-Ponty, Walter Benjamin, Marcel Mauss and Friedrich Schiller. For this purpose, we get support on the phenomenology of the French philosopher Maurice Merleau-Ponty. Our reference is the living world of the athlete and his experience as a field of the sensible. Our point of departure is the analysis of the narratives of sport experiences, including five aesthetic elements; time and space of the body in the sports courts; the look on the sportive context; the contact with the adversary; victory and defeat; the technical gesture. Besides it, we worked out an aesthetic evaluation of the movies Olympia and Invictus , what let us discuss three thematic categories: sensibility, emotions and the play paradox. Subsequently, we point sport as an optimizer of the sensible education, present on the body s processes, like the body in movement. It was also made clear along this paper that we tried to accomplish an analysis on sports centered in the athlete s body as an outfit of the senses to things related to the sensible, whose aesthetic experience overpasses any deterministic conception that should sum up the sportive world to mercantilization, discipline practices and mechanicism. This approach franchises gateways to a Physical Education which, containing sports as one of its support, let pupils enjoy the pleasure of constructing common objectives, incorporating the capacity of replicating, re-making and playing as a field of possibilities offered by an education characterized as being moving, sensible and fitful to a body in movement

Modelagem numérica de estruturas de contenção atirantadas em areia

A numerical study on the behavior of tied-back retaining walls in sand, using the finite element method (FEM) is presented. The analyses were performed using the software Plaxis 2D, and were focused on the development of horizontal displacements, horizontal stresses, shear forces and bending moments in the structure during the construction process. Emphasis was placed on the evaluation of wall embedment, tie-back horizontal spacing, wall thickness, and free anchor length on wall behavior. A representative soil profile of a specific region at the City of Natal, Brazil, was used in the numerical analyses. New facilities built on this region often include retaining structures of the same type studied herein. Soil behavior was modeled using the Mohr-Coulomb constitutive model, whereas the structural elements were modeled using the linear elastic model. Shear strength parameters of the soil layers were obtained from direct shear test results conducted with samples collected at the studied site. Deformation parameters were obtained from empirical correlations from SPT test results carried out on the studied site. The results of the numerical analyses revealed that the effect of wall embedment on the investigated parameters is virtually negligible. Conversely, the tie-back horizontal spacing plays an important role on the investigated parameters. The results also demonstrated that the wall thickness significantly affects the wall horizontal displacements, and the shear forces and bending moments within the retaining structure. However, wall thickness was not found to influence horizontal stresses in the structure

Modelagem da decisão por pacotes de viagem: um estudo usando processo de hierarquia analítica AHP

The objective of this dissertation is to propose a Multi Criteria Decision Aid Model to be used by the costumers of the travel agencies and help them to choose the best package travel. The main objective is to contribute for the simplification of the travel package decision choice from the identification of the models of values and preference of the customers and applying them to the existing package. It is used the Analytic Hierarchy Process (AHP) method to structuralize a decision hierarchic model composed by six criteria (package cost, hotel category, security of the city, travel time, direct flight and position in ranking of the 10 most visited destination) and five real alternatives of packages for a holiday of three days created from travel agency data. The decision analysis was realized for the choice of a travel package by a group composed by two couples that regularly travels together, to which was asked to do a pairwise judgment of the criteria and the alternatives. The mains results show that, although been a group that travels together, there are different models of values in the weights of the criteria and a certain convergence in the scales of preferences of the alternatives in the criteria. It was not pointed a dominant alternative for all the members of the group separately, but an analysis of a total utility of the group shows a classification and an order of the travel packages and an alternative clearly in front of the others. The sensitivity analysis revels that there are changes in the ranking, but the two alternatives best classified in the normal analysis are the same ones in the sensitivity analysis, although with the positions changed. The analysis also led to a simplification of the process with the exclusion of alternatives dominated for the others ones. As main conclusion, it is evaluated that the model and method suggested allow a simplification of the decision process in the choice of travel packages