Implementação de um modelo computacional para estudo do processo Fischer-Tropsch em reator de leito de lama

This work aims at the implementation and adaptation of a computational model for the study of the Fischer-Tropsch reaction in a slurry bed reactor from synthesis gas (CO+H2) for the selective production of hydrocarbons (CnHm), with emphasis on evaluation of the influence of operating conditions on the distribution of products formed during the reaction.The present model takes into account effects of rigorous phase equilibrium in a reactive flash drum, a detailed kinetic model able of predicting the formation of each chemical species of the reaction system, as well as control loops of the process variables for pressure and level of slurry phase. As a result, a system of Differential Algebraic Equations was solved using the computational code DASSL (Petzold, 1982). The consistent initialization for the problem was based on phase equilibrium formed by the existing components in the reactor. In addition, the index of the system was reduced to 1 by the introduction of control laws that govern the output of the reactor products. The results were compared qualitatively with experimental data collected in the Fischer-Tropsch Synthesis plant installed at Laboratório de Processamento de Gás - CTGÁS-ER-Natal/RN

Modelagem da transferência de massa na remoção do óleo da água produzida por flotação em coluna com uso de tensoativos de origem vegetal

The treatment of oil produced water and its implications are continually under investigation and several questions are related to this subject. In the Northeast Region Brazil, the onshore reservoirs are, in its majority, mature oil fields with high production of water. As this oil produced water has high levels of oil, it cannot be directly discarded into the environment because it represents a risk for contamination of soil, water, and groundwater, or even may cause harm to living bodies. Currently, polyelectrolytes that promote the coalescence of the oil droplets are used to remove the dispersed oil phase, enhancing the effectiveness of the flotation process. The non-biodegradability and high cost of polyelectrolytes are limiting factors for its application. On this context, it is necessary to develop studies for the search of more environmentally friendly products to apply in the flotation process. In this work it is proposed the modeling of the flotation process, in a glass column, using surfactants derived from vegetal oils to replace the polyelectrolytes, as well as to obtain a model that represents the experimental data. In addition, it was made a comparative study between the models described in the literature and the one developed in this research. The obtained results showed that the developed model presented high correlation coefficients when fitting the experimental data (R2 > 0.98), thus proving its efficiency in modeling the experimental data.

Modelagem e simulação de um separador bifásico com inversão de fases induzida

The present work has the main goal to study the modeling and simulation of a biphasic separator with induced phase inversion, the MDIF, with the utilization of the finite differences method for the resolution of the partial differencial equations which describe the transport of contaminant s mass fraction inside the equipment s settling chamber. With this aim, was developed the deterministic differential model AMADDA, wich was admensionalizated and then semidiscretizated with the method of lines. The integration of the resultant system of ordinary differential equations was realized by means of a modified algorithm of the Adam-Bashfort- Moulton method, and the sthocastic optimization routine of Basin-Hopping was used in the model s parameter estimation procedure . With the aim to establish a comparative referential for the results obtained with the model AMADDA, were used experimental data presented in previous works of the MDIF s research group. The experimental data and those obtained with the model was assessed regarding its normality by means of the Shapiro-Wilk s test, and validated against the experimental results with the Student s t test and the Kruskal-Wallis s test, depending on the result. The results showed satisfactory performance of the model AMADDA in the evaluation of the MDIF s separation efficiency, being possible to determinate that at 1% significance level the calculated results are equivalent to those determinated experimentally in the reference works

Modelagem e simulação da solubilização da parafina em tubos circulares e em regime laminar

O óleo produzido nos novos campos de petróleo está cada vez mais parafínico e viscoso, com isso, à medida que o óleo é escoado, parafinas são depositadas sobre as paredes internas do tubo, e ao longo do tempo, tendem a reduzir drasticamente a área transversal ao escoamento. Visando estudar o processo de solubilização da parafina em dutos, esse trabalho objetiva desenvolver modelos matemáticos que represente o processo, com base nos fenômenos envolvidos no mesmo tais como transferência de massa, transferência de energia e equilíbrio sólido-líquido, implementando-os em um ambiente de desenvolvimento VBA (Visual Basic) for Excel ®. O presente trabalho foi realizado em quatro etapas: i) modelagem dos fenômenos de transferência de calor e massa, ii) modelagem da rotina dos coeficientes de atividade através do modelo UNIFAC e modelagem do sistema de equilíbrio sólido-líquido; iii) modelagem matemática do processo de solubilização e cálculo da espessura da parafina ao longo do tempo; iv) implementação dos modelos em um ambiente de desenvolvimento VBA for Excel® e criação de um simulador com uma interface gráfica, para simular o processo de solubilização da parafina depositada em dutos e sua otimização. O simulador conseguiu produzir soluções bastante adequadas, mantendo continuidade das equações diferenciáveis do balanço de energia e de massa, com uma interpretação física viável, sem a presença de dissipação de oscilações nos perfis de temperatura e massa. Além disso, esse simulador visa permitir a simulação nas diversas condições de escoamento, bem como compreender a importância das variáveis (vazão, temperatura de entrada, temperatura externa, cadeia carbônica do solvente). Através dos resultados foram possíveis verificar os perfis de temperatura, fração molar e o de solubilização

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

Obtenção de Propriedades Físico-Químicas de Misturas de Hidrocarbonetos em Baixa e Alta Pressão Visando a Caracterização e a Modelagem

The composition of petroleum may change from well to well and its resulting characteristics influence significantly the refine products. Therefore, it is important to characterize the oil in order to know its properties and send it adequately for processing. Since petroleum is a multicomponent mixture, the use of synthetic mixtures that are representative of oil fractions provides a better understand of the real mixture behavior. One way for characterization is usually obtained through correlation of physico-chemical properties of easy measurement, such as density, specific gravity, viscosity, and refractive index. In this work new measurements were obtained for density, specific gravity, viscosity, and refractive index of the following binary mixtures: n-heptane + hexadecane, cyclohexane + hexadecane, and benzene + hexadecane. These measurements were accomplished at low pressure and temperatures in the range 288.15 K to 310.95 K. These data were applied in the development of a new method of oil characterization. Furthermore, a series of measurements of density at high pressure and temperature of the binary mixture cyclohexane + n-hexadecane were performed. The ranges of pressure and temperature were 6.895 to 62.053 MPa and 318.15 to 413.15 K, respectively. Based on these experimental data of compressed liquid mixtures, a thermodynamic modeling was proposed using the Peng-Robinson equation of state (EOS). The EOS was modified with scaling of volume and a relatively reduced number of parameters were employed. The results were satisfactory demonstrating accuracy not only for density data, but also for isobaric thermal expansion and isothermal compressibility coefficients. This thesis aims to contribute in a scientific manner to the technological problem of refining heavy fractions of oil. This problem was treated in two steps, i.e., characterization and search of the processes that can produce streams with economical interest, such as solvent extraction at high pressure and temperature. In order to determine phase equilibrium data in these conditions, conceptual projects of two new experimental apparatus were developed. These devices consist of cells of variable volume together with a analytical static device. Therefore, this thesis contributed with the subject of characterization of hydrocarbons mixtures and with development of equilibrium cells operating at high pressure and temperature. These contributions are focused on the technological problem of refining heavy oil fractions

Sistema de secagem solar para frutos tropicais e modelagem da secagem de banana em um secador de coluna estática

In this study were projected, built and tested an electric solar dryer consisting of a solar collector, a drying chamber, an exhaust fan and a fan to promote forced hot air convection. Banana drying experiments were also carried out in a static column dryer to model the drying and to obtain parameters that can be used as a first approximation in the modeling of an electric solar dryer, depending on the similarity of the experimental conditions between the two drying systems. From the banana drying experiments conducted in the static column dryer, we obtained food weight data as a function of aqueous concentration and temperature. Simplified mathematical models of the banana drying were made, based on Fick s and Fourier s second equations, which were tested with the experimental data. We determined and/or modeled parameters such as banana moisture content, density, thin layer drying curves, equilibrium moisture content, molecular diffusivity of the water in banana DAB, external mass transfer coefficient kM, specific heat Cp, thermal conductivity k, latent heat of water evaporation in the food Lfood, time to heat food, and minimum energy and power required to heat the food and evaporate the water. When we considered the shrinkage of radius R of a banana, the calculated values of DAB and kM generally better represent the phenomenon of water diffusion in a solid. The latent heat of water evaporation in the food Lfood calculated by modeling is higher than the latent heat of pure water evaporation Lwater. The values calculated for DAB and KM that best represent the drying were obtained with the analytical model of the present paper. These values had good agreement with those assessed with a numeric model described in the literature, in which convective boundary condition and food shrinkage are considered. Using parameters such as Cp, DAB, k, kM and Lfood, one can elaborate the preliminary dryer project and calculate the economy using only solar energy rather than using solar energy along with electrical energy

Estudo da secagem do pedúnculo do caju em sistemas convencional e solar: modelagem e simulação do processo

This work aims to study the drying of cashew-nut pulp with different lay-out of dryers using conventional and solar energy. It concerns with the use of exceeding of the regional raw material and the suitable knowledge for the applicability of the drying systems as pathway for food conservation. Besides, it used renewable sources as solar energy to dry these agroindustrial products. Runs were carried out using a conventional tray-dryer with temperature, air velocity control and cashew slice thickness of 55°C, 65°C, 75°C; 3.0; 4.5, 6.0 m s-1; 1.0; 1.5 and 2.0 cm, respectively, in order to compare the studied systems. To evaluate the conventional tray-dryer, it was used a diffusional model of 2nd Fick´s law, where the drying curves were quite well fitted to an infinite flat plate design. For the drying runs where the room temperature had no control, it was developed a phenomenological-mathematical model for the solar dryer with indirect radiation under natural and forced convection based on material and energy balances of the system. Besides, it was carried out assays in the in natura as well as dehydrated, statistic analysis of the experimental drying data, sensorial analysis of the final dry product and a simplified economical analysis of the systems studied

Avaliação e modelagem da absorção de H2S do gás natural em coluna de leito estagnado

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

Equilíbrio líquido-líquido de sistemas aquosos com tensoativos polietoxilados: dados experimentais e modelagem

The nonionic surfactants when in aqueous solution, have the property of separating into two phases, one called diluted phase, with low concentration of surfactant, and the other one rich in surfactants called coacervate. The application of this kind of surfactant in extraction processes from aqueous solutions has been increasing over time, which implies the need for knowledge of the thermodynamic properties of these surfactants. In this study were determined the cloud point of polyethoxylated surfactants from nonilphenolpolietoxylated family (9,5 , 10 , 11, 12 and 13), the family from octilphenolpolietoxylated (10 e 11) and polyethoxylated lauryl alcohol (6 , 7, 8 and 9) varying the degree of ethoxylation. The method used to determine the cloud point was the observation of the turbidity of the solution heating to a ramp of 0.1 ° C / minute and for the pressure studies was used a cell high-pressure maximum ( 300 bar). Through the experimental data of the studied surfactants were used to the Flory - Huggins models, UNIQUAC and NRTL to describe the curves of cloud point, and it was studied the influence of NaCl concentration and pressure of the systems in the cloud point. This last parameter is important for the processes of oil recovery in which surfactant in solution are used in high pressures. While the effect of NaCl allows obtaining cloud points for temperatures closer to the room temperature, it is possible to use in processes without temperature control. The numerical method used to adjust the parameters was the Levenberg - Marquardt. For the model Flory- Huggins parameter settings were determined as enthalpy of the mixing, mixing entropy and the number of aggregations. For the UNIQUAC and NRTL models were adjusted interaction parameters aij using a quadratic dependence with temperature. The parameters obtained had good adjust to the experimental data RSMD < 0.3 %. The results showed that both, ethoxylation degree and pressure increase the cloudy points, whereas the NaCl decrease

Influência dos modelos digitais de terreno na modelagem de circulação hidrodinâmica 2DH: um estudo de caso

Digital Elevation Models (DEM) are numerical representations of a portion of the earth surface. Among several factors which affect the quality of a DEM, it should be emphasized the attention on the input data and the choice of the interpolating algorithm. On the other hand, several numerical models are used nowadays to characterize nearshore hydrodynamics and morphological changes in coastal areas, whose validation is based on field data collection. Independent on the complexity of the physical processes which are modeled, little attention has been given to the intrinsic bathymetric interpolation built within the numerical models of the specific application. Therefore, this study aims to investigate and to quantify the influence of the bathymetry, as obtained by a DEM, on the hydrodynamic circulation model at a coastal stretch, off the coast of the State of Rio Grande do Norte, Northeast Brazil. This coastal region is characterized by strong hydrodynamic and littoral processes, resulting in a very dynamic morphology with shallow coastal bathymetry. Important economic activities, such as oil exploitation and production, fisheries, salt ponds, shrimp farms and tourism, also bring impacts upon the local ecosystems and influence themselves the local hydrodynamics. This fact makes the region one of the most important for the development of the State, but also enhances the possibility of serious environmental accidents. As a hydrodynamic model, SisBaHiA® - Environmental Hydrodynamics System ( Sistema Básico de Hidrodinâmica Ambiental ) was chosen, for it has been successfully employed at several locations along the Brazilian coast. This model was developed at the Coastal and Oceanographical Engineering Group of the Ocean Engineering Program at the Federal University of Rio de Janeiro. Several interpolating methods were tested for the construction of the DEM, namely Natural Neighbor, Kriging, Triangulation with Linear Interpolation, Inverse Distance to a Power, Nearest Neighbor, and Minimum Curvature, all implemented within the software Surfer®. The bathymetry which was used as reference for the DEM was obtained from nautical charts provided by the Brazilian Hydrographic Service of the Brazilian Navy and from a field survey conducted in 2005. Changes in flow velocity and free surface elevation were evaluated under three aspects: a spatial vision along three profiles perpendicular to the coast and one profile longitudinal to the coast as shown; a temporal vision from three central nodes of the grid during 30 days; a hodograph analysis of components of speed in U and V, by different tidal cycles. Small, but negligible, variations in sea surface elevation were identified. However, the differences in flow and direction of velocities were significant, depending on the DEM

O que controla o crescimento do Fitoplâncton em lagoas costeiras tropicais? um modelo para a lagoa de Extremoz (RN)

The phytoplankton growth is dependent of several abiotic (nutrients, temperature) and biotic (predation by zooplankton) variables. In this work, a mathematical model was developed in Stella software to understand the planktonic dynamics of Extremoz Lagoon (RN) and to simulate scenarios of different environmental conditions. Data were collected monthly at two points of the lagoon. The state variables are phytoplankton and zooplankton and forcing variables are nitrogen, phosphorus and temperature. The results show that: a) the model are well coupled, especially when some constants assume different values; b) simulated nutrient concentrations reduction decreases phytoplankton biomass, but the increase of nutrients does not stimulate the growth; c) changes in the temperature does not change the phytoplankton biomass; d) changes in zooplankton biomass affect directly and reduces the phytoplankton, indicating a topdown control mechanism; e) changes in the nutrient concentration modified the biomass of zooplankton suggesting a rapid flow of energy between nutrients, phytoplankton and zooplankton and a ecosystem likely arranged in an inverted pyramid (higher concentration of zooplankton than phytoplankton)

Aplicações da teoria da percolação à modelagem e simulação de reservatórios de petróleo

In this thesis we study some problems related to petroleum reservoirs using methods and concepts of Statistical Physics. The thesis could be divided percolation problem in random multifractal support motivated by its potential application in modelling oil reservoirs. We develped an heterogeneous and anisotropic grid that followin two parts. The first one introduce a study of the percolations a random multifractal distribution of its sites. After, we determine the percolation threshold for this grid, the fractal dimension of the percolating cluster and the critical exponents ß and v. In the second part, we propose an alternative systematic of modelling and simulating oil reservoirs. We introduce a statistical model based in a stochastic formulation do Darcy Law. In this model, the distribution of permeabilities is localy equivalent to the basic model of bond percolation

Modelagem matemática para o aproveitamento da biomassa residual de colheita da cana-de-açúcar com menor custo

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

Caracterização e modelagem dos sistemas de produção de caprinos leiteiros

The objectives of this research were characterizing the dairy goat production systems and model it using linear program. On the first step of this research, the model was developed using data from farms that was affiliated in the ACCOMIG/Caprileite, used a similar dairy goat production systems and have a partnership program with Universidade Federal de Minas Gerais . The data of research were from a structured questionnaire applied with farmers and monitoring of production systems during a guided visit on their farms. The results permitted identify that all farms were classified as a small and have a intensive production system. The average herd size had 63.75 dairy goats on lactation; it permits a production of 153, 38 kg of goat milk per day. It was observed that existing more than one channel of commercialization for the goat milk and their derivative products. The data obtained, on the first step of this research, was used to develop a linear program model. It was evaluated in two goat production systems, called P1 and P2. The results showed that the P1 system, with an annual birth and lactation during approximately 300 days was the best alternative for business. These results were compared with a mixed (beef and dairy) goat system in the semiarid region, which indicated merged with both systems. Therefore, to achieve profits and sustainability of the system, in all simulations it was necessary a minimum limit of funding of U.S. $ 10,000.00; this value permit earning of U.S. $ 792.00 per month and pay the investment within 5 years