43 resultados para Processos químicos : Modelagem

em Universidade Federal do Rio Grande do Norte(UFRN)


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On this research we investigated how new technologies can help the process of design and manufacturing of furniture in such small manufacturers in Rio Grande do Norte state. Google SketchUp, a 3D software tool, was developed in such a way that its internal structures are opened and can be accessed using SketchUp s API for Ruby and programs written in Ruby language (plugins). Using the concepts of the so-called Group Technology and the flexibility that enables adding new functionalities to this software, it was created a Methodology for Modeling of Furniture, a Coding System and a plugin for Google s tool in order to implement the Methodology developed. As resulted, the following facilities are available: the user may create and reuse the library s models over-and-over; reports of the materials manufacturing process costs are provided and, finally, detailed drawings, getting a better integration between the furniture design and manufacturing process

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This work aims to obtain a low-cost virtual sensor to estimate the quality of LPG. For the acquisition of data from a distillation tower, software HYSYS ® was used to simulate chemical processes. These data will be used for training and validation of an Artificial Neural Network (ANN). This network will aim to estimate from available simulated variables such as temperature, pressure and discharge flow of a distillation tower, the mole fraction of pentane present in LPG. Thus, allowing a better control of product quality

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Nowadays, where the market competition requires products with better quality and a constant search for cost savings and a better use of raw materials, the research for more efficient control strategies becomes vital. In Natural Gas Processin Units (NGPUs), as in the most chemical processes, the quality control is accomplished through their products composition. However, the chemical composition analysis has a long measurement time, even when performed by instruments such as gas chromatographs. This fact hinders the development of control strategies to provide a better process yield. The natural gas processing is one of the most important activities in the petroleum industry. The main economic product of a NGPU is the liquefied petroleum gas (LPG). The LPG is ideally composed by propane and butane, however, in practice, its composition has some contaminants, such as ethane and pentane. In this work is proposed an inferential system using neural networks to estimate the ethane and pentane mole fractions in LPG and the propane mole fraction in residual gas. The goal is to provide the values of these estimated variables in every minute using a single multilayer neural network, making it possibly to apply inferential control techniques in order to monitor the LPG quality and to reduce the propane loss in the process. To develop this work a NGPU was simulated in HYSYS R software, composed by two distillation collumns: deethanizer and debutanizer. The inference is performed through the process variables of the PID controllers present in the instrumentation of these columns. To reduce the complexity of the inferential neural network is used the statistical technique of principal component analysis to decrease the number of network inputs, thus forming a hybrid inferential system. It is also proposed in this work a simple strategy to correct the inferential system in real-time, based on measurements of the chromatographs which may exist in process under study

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The main purpose of this work is to develop an environment that allows HYSYS R chemical process simulator communication with sensors and actuators from a Foundation Fieldbus industrial network. The environment is considered a hybrid resource since it has a real portion (industrial network) and a simulated one (process) with all measurement and control signals also real. It is possible to reproduce different industrial process dynamics without being required any physical network modification, enabling simulation of some situations that exist in a real industrial environment. This feature testifies the environment flexibility. In this work, a distillation column is simulated through HYSYS R with all its variables measured and controlled by Foundation Fieldbus devices

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Os polímeros biodegradáveis, como o poliácido láctico (PLA) apesar de consolidado nos campos farmacêuticos, médico e biomédico como biomateriais úteis para aplicações variadas, porém, depende da necessidade de funcionalizar a sua superfície estudando suas propriedades tais como hidrofilidade e hidrofobicidade favorecendo a interação do polímero com os materiais de aplicação farmacêutica, médica e biomédica. Este trabalho tem como objetivo produzir um material com características diferentes em cada um de seus lados, sendo um lado hidrofílico e o outro hidrofóbico. O substrato têxtil utilizado neste estudo foi um tecido de malha de composição 100% PLA que é biodegradável e biocompatível, o que possibilita sua aplicação na área biomédica. Para modificação superficial foi utilizado o tratamento a plasma de baixa pressão. A técnica de modificação de superfície por plasma foi escolhida por ser uma tecnologia limpa, anticorrosiva e não tóxica ao contrario de muitos processos químicos convencionais utilizados na indústria têxtil, além disso, não afeta as propriedades de massa do substrato. Neste estudo, um lado da superfície do substrato foi tratado com plasma oxigênio, argônio e nitrogênio, para o trabalho de melhoria da hidrofilidade da superfície e metano para a hidrofobicidade da amostra. A espectroscopia de emissão ótica (OEE) foi utilizada para fazer o diagnóstico das espécies do plasma durante o tratamento. Após o tratamento a plasma as amostras foram caracterizadas por medidas de ângulo de contato, microscopia eletrônica de varredura (MEV), Espectroscopia de fotoelétrons de raios-X (XPS), Infravermelho com Transformada de Fourier (FTIR) de reflexão total atenuada (ATR), medidas da área de espalhamento do líquido e arraste vertical. Onde foi caracterizado o aumento e diminuição da molhabilidade das amostras tratadas por plasma bem como as variáveis que contribuíram para tal efeito. O tratamento das amostras de PLA com O2 + CH4 apresenta comportamento hidrofílico no lado tratado com O2, apresentando aumento de rugosidade e grupos funcionais e no lado tratado com CH4, apresentando a formação de um filme polimérico formado sobre a superfície da amostra. O tratamento com N2 + CH4 apresenta comportamento hidrofóbico, porém com variações no fluxo do CH4 tem-se um controle da molhabilidade na superfície das amostras, podendo ir de hidrofóbico a hidrofílico, neste tratamento as amostras apresentaram pequenas diferenças de molhabilidade entre os lados tratados com plasma de N2 e com plasma de CH4

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Rare earth elements have recently been involved in a range of advanced technologies like microelectronics, membranes for catalytic conversion and applications in gas sensors. In the family of rare earth elements like cerium can play a key role in such industrial applications. However, the high cost of these materials and the control and efficiencies associated processes required for its use in advanced technologies, are a permanent obstacle to its industrial development. In present study was proposed the creation of phases based on rare earth elements that can be used because of its thermal behavior, ionic conduction and catalytic properties. This way were studied two types of structure (ABO3 and A2B2O7), the basis of rare earths, observing their transport properties of ionic and electronic, as well as their catalytic applications in the treatment of methane. For the process of obtaining the first structure, a new synthesis method based on the use of EDTA citrate mixture was used to develop a precursor, which undergone heat treatment at 950 ° C resulted in the development of submicron phase BaCeO3 powders. The catalytic activity of perovskite begins at 450 ° C to achieve complete conversion at 675 ° C, where at this temperature, the catalytic efficiency of the phase is maximum. The evolution of conductivity with temperature for the perovskite phase revealed a series of electrical changes strongly correlated with structural transitions known in the literature. Finally, we can establish a real correlation between the high catalytic activity observed around the temperature of 650 ° C and increasing the oxygen ionic conductivity. For the second structure, showed clearly that it is possible, through chemical processes optimized to separate the rare earth elements and synthesize a pyrochlore phase TR2Ce2O7 particular formula. This "extracted phase" can be obtained directly at low cost, based on complex systems made of natural minerals and tailings, such as monazite. Moreover, this method is applied to matters of "no cost", which is the case of waste, making a preparation method of phases useful for high technology applications

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Emissions of CO2 in the atmosphere have increased successively by various mechanisms caused by human action, especially as fossil fuel combustion and industrial chemical processes. This leads to the increase in average temperature in the atmosphere, which we call global warming. The search for new technologies to minimize environmental impacts arising from this phenomenon has been investigated. The capture of CO2 is one of the alternatives that can help reduce emis ions of greenhouse gases. The CO2 can be captured through the process of selective adsorption using adsorbents for this purpose. Were synthesized by hydrothermal method, materials of the type MCM-41 and Al-MCM-41 in the molar ratio Si / Al equal to 50. The synthesis of gels were prepared from a source of silicon, sodium, water and aluminum in the case of Al-MCM-41. The period of synthesis of the materials was 5 days in autoclave at 100°C. After that time materials were filtered, washed and dried in greenhouse at 100 º C for 4 hours and then calcined at 450 º C. Then the calcined material was functionalized with the Di-isopropylamine (DIPA) by the method of wet impregnation. We used 0.5 g of material mesopores to 3.5 mL of DIPA. The materials were functionalized in a closed container for 24 hours, and after this period were dried at brackground temperature for 2 hours. Were subsequently subjected to heat treatment at 250°C for 1 hour. These materials were used for the adsorption of CO2 and were characterized by XRD, FT-IR, BET / BJH, SEM, EDX and TG / DTG. Tests of adsorption of CO2 was carried out under the following conditions: 100 mg of adsorbent, temperature of 75°C under flow of 100 mL/min of CO2 for 2 hours. The desorption of CO2 was carried out by thermogravimetry from ambient temperature to 900ºC under flow of 25 mL min of He and a ratio of 10ºC/min. The difratogramas X-ray for the synthesized samples showed the characteristic peaks of MCM-41, showing that the structure of it was obtained. For samples functionalized there was a decrease of the intensities of these peaks, with a consequent reduction in the structural ordering of the material. However, the structure was preserved mesopores. The adsorption tests showed that the functionalized MCM-41 is presented as a material promising adsorbent, for CO2 capture, with a loss of mass on the desorption CO2 of 7,52%, while that in Al-MCM- 41 functionalized showed no such loss

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Muitos mecanismos provocados pela ação humana vêm gerando um aumento na queima de combustíveis fósseis e processos químicos (produtos orgânicos, carvão, madeira, óleo diesel, gasolina e outros derivados de petróleo) e, consequentemente, há um aumento na emissão de CO2 na atmosfera. Uma das alternativas para a captura desse poluente é o processo de adsorção, o qual pode ajudar na redução do CO2. As hidrotalcitas ou hidróxidos duplos lamelares (HDL s) estão dentre esses materiais estudados, já que apresentam alta estabilidade e uma boa porosidade, tornando-se assim um promissor adsorvente de gases poluentes. Os HDL s formam um grupo de argilas do tipo aniônico que consiste em camadas positivamente carregadas de óxido de metal (ou hidróxido de metal) com intercamadas de ânions. Foi constatado que ânions que possuem duas cargas negativas, estabilizam muito mais que ânions monovalentes, sendo o carbonato o mais estável dos ânions divalentes. Neste trabalho, foi proposta uma modificação na síntese direta através da co-precipitação a pH constante utilizando sais de cátions divalentes (Mg2+) e trivalentes (Al3+) reportados na literatura. Durante a síntese dos HDL s retirou-se o carbonato, bem como, utilizou-se um copolímero como um template para o alargamento das lamelas. As amostras foram caracterizadas utilizando as técnicas de DRX, TG/DTG, FTIR, MEV/EDX, MET e adsorção e dessorção de N2. Os dados obtidos indicam que a estrutura, mesmo após a modificação, apresentou resultados condizentes com os encontrados na literatura. Dentre as várias aplicações dos HDL s foi realizado o estudo da adsorção do CO2. A capacidade de adsorção do material foi testada de acordo com o tempo de contato entre o adsorvente e o adsorbato, sendo esperado que os materiais tratados com template apresentassem um maior desempenho

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The demand for materials with high consistency obtained at relatively low temperatures has been leveraging the search for chemical processes substituents of the conventional ceramic method. This paper aims to obtain nanosized pigments encapsulated (core-shell) the basis of TiO2 doped with transition metals (Fe, Co, Ni, Al) through three (3) methods of synthesis: polymeric precursors (Pechini); hydrothermal microwave, and co-precipitation associated with the sol-gel chemistry. The study was motivated by the simplicity, speed and low power consumption characteristic of these methods. Systems costs are affordable because they allow achieving good control of microstructure, combined with high purity, controlled stoichiometric phases and allowing to obtain particles of nanometer size. The physical, chemical, morphological, structural and optical properties of the materials obtained were analyzed using different techniques for materials characterization. The powder pigments were tested in discoloration and degradation using a photoreactor through the solution of Remazol yellow dye gold (NNI), such as filtration, resulting in a separation of solution and the filter pigments available for further UV-Vis measurements . Different calcination temperatures taken after obtaining the post, the different methods were: 400 º C and 1000 º C. Using a fixed concentration of 10% (Fe, Al, Ni, Co) mass relative to the mass of titanium technologically and economically enabling the study. By transmission electron microscopy (TEM) technique was possible to analyze and confirm the structural formation nanosized particles of encapsulated pigment, TiO2 having the diameter of 20 nm to 100 nm, and thickness of coated layer of Fe, Ni and Co between 2 nm and 10 nm. The method of synthesis more efficient has been studied in the work co-precipitation associated with sol-gel chemistry, in which the best results were achieved without the need for the obtainment of powders the calcination process

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This work aims to obtain a low-cost virtual sensor to estimate the quality of LPG. For the acquisition of data from a distillation tower, software HYSYS ® was used to simulate chemical processes. These data will be used for training and validation of an Artificial Neural Network (ANN). This network will aim to estimate from available simulated variables such as temperature, pressure and discharge flow of a distillation tower, the mole fraction of pentane present in LPG. Thus, allowing a better control of product quality

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Natural gas, although basically composed by light hydrocarbons, also presents contaminant gases in its composition, such as CO2 (carbon dioxide) and H2S (hydrogen sulfide). The H2S, which commonly occurs in oil and gas exploration and production activities, causes damages in oil and natural gas pipelines. Consequently, the removal of hydrogen sulfide gas will result in an important reduction in operating costs. Also, it is essential to consider the better quality of the oil to be processed in the refinery, thus resulting in benefits in economic, environmental and social areas. All this facts demonstrate the need for the development and improvement in hydrogen sulfide scavengers. Currently, the oil industry uses several processes for hydrogen sulfide removal from natural gas. However, these processes produce amine derivatives which can cause damage in distillation towers, can cause clogging of pipelines by formation of insoluble precipitates, and also produce residues with great environmental impact. Therefore, it is of great importance the obtaining of a stable system, in inorganic or organic reaction media, able to remove hydrogen sulfide without formation of by-products that can affect the quality and cost of natural gas processing, transport, and distribution steps. Seeking the study, evaluation and modeling of mass transfer and kinetics of hydrogen removal, in this study it was used an absorption column packed with Raschig rings, where the natural gas, with H2S as contaminant, passed through an aqueous solution of inorganic compounds as stagnant liquid, being this contaminant gas absorbed by the liquid phase. This absorption column was coupled with a H2S detection system, with interface with a computer. The data and the model equations were solved by the least squares method, modified by Levemberg-Marquardt. In this study, in addition to the water, it were used the following solutions: sodium hydroxide, potassium permanganate, ferric chloride, copper sulfate, zinc chloride, potassium chromate, and manganese sulfate, all at low concentrations (»10 ppm). These solutions were used looking for the evaluation of the interference between absorption physical and chemical parameters, or even to get a better mass transfer coefficient, as in mixing reactors and absorption columns operating in counterflow. In this context, the evaluation of H2S removal arises as a valuable procedure for the treatment of natural gas and destination of process by-products. The study of the obtained absorption curves makes possible to determine the mass transfer predominant stage in the involved processes, the mass transfer volumetric coefficients, and the equilibrium concentrations. It was also performed a kinetic study. The obtained results showed that the H2S removal kinetics is greater for NaOH. Considering that the study was performed at low concentrations of chemical reagents, it was possible to check the effect of secondary reactions in the other chemicals, especially in the case of KMnO4, which shows that your by-product, MnO2, acts in H2S absorption process. In addition, CuSO4 and FeCl3 also demonstrated to have good efficiency in H2S removal

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The main hypothesis of this thesis is that the deve lopment of industrial automation applications efficiently, you need a good structuri ng of data to be handled. Then, with the aim of structuring knowledge involved in the contex t of industrial processes, this thesis proposes an ontology called OntoAuto that conceptua lly models the elements involved in the description of industrial processes. To validat e the proposed ontology, several applica- tions are presented. In the first, two typical indu strial processes are modeled conceptually: treatment unit DEA (Diethanolamine) and kiln. In th e second application, the ontology is used to perform a semantic filtering alarms, which together with the analysis of correla- tions, provides temporal relationships between alar ms from an industrial process. In the third application, the ontology was used for modeli ng and analysis of construction cost and operation processes. In the fourth application, the ontology is adopted to analyze the reliability and availability of an industrial plant . Both for the application as it involves costs for the area of reliability, it was necessary to create new ontologies, and OntoE- con OntoConf, respectivamentem, importing the knowl edge represented in OntoAuto but adding specific information. The main conclusions of the thesis has been that on tology approaches are well suited for structuring the knowledge of industrial process es and based on them, you can develop various advanced applications in industrial automat ion.

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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

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In the last decades, the oil, gas and petrochemical industries have registered a series of huge accidents. Influenced by this context, companies have felt the necessity of engaging themselves in processes to protect the external environment, which can be understood as an ecological concern. In the particular case of the nuclear industry, sustainable education and training, which depend too much on the quality and applicability of the knowledge base, have been considered key points on the safely application of this energy source. As a consequence, this research was motivated by the use of the ontology concept as a tool to improve the knowledge management in a refinery, through the representation of a fuel gas sweetening plant, mixing many pieces of information associated with its normal operation mode. In terms of methodology, this research can be classified as an applied and descriptive research, where many pieces of information were analysed, classified and interpreted to create the ontology of a real plant. The DEA plant modeling was performed according to its process flow diagram, piping and instrumentation diagrams, descriptive documents of its normal operation mode, and the list of all the alarms associated to the instruments, which were complemented by a non-structured interview with a specialist in that plant operation. The ontology was verified by comparing its descriptive diagrams with the original plant documents and discussing with other members of the researchers group. All the concepts applied in this research can be expanded to represent other plants in the same refinery or even in other kind of industry. An ontology can be considered a knowledge base that, because of its formal representation nature, can be applied as one of the elements to develop tools to navigate through the plant, simulate its behavior, diagnose faults, among other possibilities

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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.