Determinação de dados de equilíbrio líquido-vapor a altas pressões para sistemas de hidrocarbonetos assimétricos

Crude oil is a complex liquid mixture of organic and inorganic compounds that are dominated by hydrocarbons. It is a mixture of alkanes from the simplest to more complex aromatic compounds that are present derivatives such as gasoline, diesel, alcohol, kerosene, naphtha, etc.. These derivatives are extracted from any oil, however, only with a very high quality, in other words, when the content of hydrocarbons of low molecular weight is high means that production of these compounds is feasible. The American Petroleum Institute (API) developed a classification system for the various types of oil. In Brazil, the quality of most of the oil taken from wells is very low, so it is necessary to generate new technology to develop best practices for refining in order to produce petroleum products of higher commercial value. Therefore, it is necessary to study the thermodynamic equilibrium properties of its derivative compounds of interest. This dissertation aims to determine vapor-liquid equilibrium (VLE) data for the systems Phenilcyclohexane - CO2, and Cyclohexane - Phenilcyclohexane - CO2 at high pressure and temperatures between 30 to 70oC. Furthermore, comparisons between measured VLE experimental data from this work and from the literature in relation to the Peng- Robinson molecular thermodynamic model, using a simulation program SPECS IVCSEP v5.60 and two adjustable interaction parameters, have been performed for modeling and simulation purposes. Finally, the developed apparatus for determination of phase equilibrium data at high pressures is presented

Modelagem e simulação da deposição de parafinas em escoamento turbulento

The flow assurance has become one of the topics of greatest interest in the oil industry, mainly due to production and transportation of oil in regions with extreme temperature and pressure. In these operations the wax deposition is a commonly problem in flow of paraffinic oils, causing the rising costs of the process, due to increased energy cost of pumping, decreased production, increased pressure on the line and risk of blockage of the pipeline. In order to describe the behavior of the wax deposition phenomena in turbulent flow of paraffinic oils, under different operations conditions, in this work we developed a simulator with easy interface. For that we divided de work in four steps: (i) properties estimation (physical, thermals, of transport and thermodynamics) of n-alkanes and paraffinic mixtures by using correlations; (ii) obtainment of the solubility curve and determination the wax appearance temperature, by calculating the solid-liquid equilibrium of parafinnic systems; (iii) modelling wax deposition process, comprising momentum, mass and heat transfer; (iv) development of graphic interface in MATLAB® environment for to allow the understanding of simulation in different flow conditions as well as understand the matter of the variables (inlet temperature, external temperature, wax appearance temperature, oil composition, and time) on the behavior of the deposition process. The results showed that the simulator developed, called DepoSim, is able to calculate the profile of temperature, thickness of the deposit, and the amount of wax deposited in a simple and fast way, and also with consistent results and applicable to the operation

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

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

Estudo de manejo de águas pluviais urbanas na cidade Natal-Rio Grande do Norte

Urban stormwater can be considered as potential water resources as well as problems for the proper functioning of the manifold activities of the city, resulting from inappropriate use and occupation of the soil, usually due to poor planning of the occupation of the development areas, with little care for the environmental aspects of the drainage of surface runoff. As a basic premise, we must seek mechanisms to preserve the natural flow in all stages of development of an urban area, preserving the soil infiltration capacity in the scale of the urban area, comprising the mechanisms of natural drainage, and noting preserving natural areas of dynamic water courses, both in the main channel and in the secondary. They are challenges for a sustainable urban development in a harmonious coexistence of modern developmental, which are consistent with the authoritative economic environmental and social quality. Integrated studies involving the quantity and quality of rainwater are absolutely necessary to achieve understanding and obtaining appropriate technologies, involving both aspects of the drainage problems and aspects of use of water when subjected to an adequate management of surface runoff , for example, the accumulation of these reservoirs in detention with the possibility of use for other purposes. The purpose of this study aims to develop a computer model, adjusted to prevailing conditions of an experimental urban watershed in order to enable the implementation of management practices for water resources, hydrological simulations of quantity and, in a preliminary way, the quality of stormwater that flow to a pond located at the downstream end of the basin. To this end, we used in parallel with the distributed model SWMM data raised the basin with the highest possible resolution to allow the simulation of diffuse loads, heterogeneous characteristics of the basin both in terms of hydrological and hydraulic parameters on the use and occupation soil. The parallel work should improve the degree of understanding of the phenomena simulated in the basin as well as the activity of the calibration models, and this is supported by monitoring data acquired during the duration of the project MAPLU (Urban Stormwater Management) belonging to the network PROSAB (Research Program in Basic Sanitation) in the years 2006 to 2008

Simulação do sistema de esgotamento sanitário de Ponta Negra- Natal: mitigação dos riscos ambientais e estratégia de manutenção preditiva

The simulation of SES-Natal Ponta Negra: mitigation of environmental risks and predictive maintenance strategy was developed in the context of several operational irregularities in the pumping stations and sewage systems in the system Ponta Negra. Thus, the environmental risks and complaints against the company due to overflows of sewage into the public thoroughfare became common. This neighborhood has shown in recent years an increase of resident higher than the initial expectation of growth. In this sense presumed the large population growth and generation of sewers higher than expected, associated to the use of corrective maintenance and misuse of the system may be the main causes of operational failures occurring in the SES. This study aimed at analyzing the hydraulic behavior of SES Ponta Negrathrough numerical simulation of its operation associated to future scenarios of occupation. The SES Ponta Negra has a long lengthof collection networks and 6 pumping stations interconnected, being EE 1, 2, 4 coastal way, and beach Shopping interconnected EE3 to receives all sewers pumped from the rest pumping station and pumped to the sewage treatment station of neighborhood which consists of a facultative pond followed by three maturation ponds with disposal of treated effluent into infiltration ditches. Oncethey are connected with each other, the study was conducted considering the days and times of higher inflow for all lifts. Furthermore, with the aim of measuring the gatherer network failures were conducted data survey of on the networks. Thephysical and operational survey data was conducted between January/2011 and janeiro/2012. The simulation of the SES was developed with the aim ofdemonstrating its functioning, eithercurrently and in the coming years, based in population estimates and sewage flow. The collected data represents the current framework of the pumping stations of the SES Ponta Negra and served as input to the model developed in MS Excel ® spreadsheet which allowed simulating the behavior of SES in future scenarios. The results of this study show thatBeach Shopping Pumping Station is actually undersized and presents serious functioning problemsthatmay compromise the environmental quality of surrounding area. The other pumping stations of the system will reach itsmaximum capacity between 2013 and 2015, although the EE1 and EE3 demonstrateoperation capacity, even precariously, until 2017. Moreover, it was observed that the misuse of the network system, due to the input of both garbage and stormwater, are major factors of failures that occur in the SES. Finally, it was found that the corrective maintenance appliance, rather than predictive,has proven to beinefficient because of the serious failuresin the system, causing damage to the environment and health risks to users

Simulação numérica do fluxo hídrico subterrâneo na bacia hidrográfica do Rio Pitimbu RN

Urban centers in Pitimbu Watershed use significant groundwater sources for public supply. Therefore, studies in Dunas Barreiras aquifer are relevant to expand knowledge about it and help manage water resources in the region. An essential tool for this management is the numerical modeling of groundwater flow. In this work, we developed a groundwater flow model for Pitimbu Watershed, using the Visual Modflow, version 2.7.1., which uses finite difference method for solving the govern equation of the dynamics of groundwater flow. We carried out the numerical simulation of steady-state model for the entire region of the basin. The model was built in the geographical, geomorphological and hydrogeological study of the area, which defined the boundary conditions and the parameters required for the numerical calculation. Owing to unavailability of current data based on monitoring of the aquifer it was not possible to calibrate the model. However, the simulation results showed that the overall water balance approached zero, therefore satisfying the equation for the three-dimensional behavior of the head water in steady state. Variations in aquifer recharge data were made to verify the impact of this contribution on the water balance of the system, especially in the scenario in which recharge due to drains and sinks was removed. According to the results generated by Visual Modflow occurred significantly hydraulic head lowering, ranging from 16,4 to 82 feet of drawdown. With the results obtained, it can be said that modeling is performed as a valid tool for the management of water resources in Pitimbu River Basin, and to support new studies

Os Polímeros como Sistemas Complexos

Neste trabalho, através de simulações computacionais, identificamos os fenômenos físicos associados ao crescimento e a dinâmica de polímeros como sistemas complexos exibindo comportamentos não linearidades, caos, criticalidade auto-organizada, entre outros. No primeiro capítulo, iniciamos com uma breve introdução onde descrevemos alguns conceitos básicos importantes ao entendimento do nosso trabalho. O capítulo 2 consiste na descrição do nosso estudo da distribuição de segmentos num polímero ramificado. Baseado em cálculos semelhantes aos usados em cadeias poliméricas lineares, utilizamos o modelo de crescimento para polímeros ramificados (Branched Polymer Growth Model - BPGM) proposto por Lucena et al., e analisamos a distribuição de probabilidade dos monômeros num polímero ramificado em 2 dimensões, até então desconhecida. No capítulo seguinte estudamos a classe de universalidade dos polímeros ramificados gerados pelo BPGM. Utilizando simulações computacionais em 3 dimensões do modelo proposto por Lucena et al., calculamos algumas dimensões críticas (dimensões fractal, mínima e química) para tentar elucidar a questão da classe de universalidade. Ainda neste Capítulo, descrevemos um novo modelo para a simulação de polímeros ramificados que foi por nós desenvolvido de modo a poupar esforço computacional. Em seguida, no capítulo 4 estudamos o comportamento caótico do crescimento de polímeros gerados pelo BPGM. Partimos de polímeros criticamente organizados e utilizamos uma técnica muito semelhante aquela usada em transições de fase em Modelos de Ising para estudar propagação de danos chamada de Distância de Hamming. Vimos que a distância de Hamming para o caso dos polímeros ramificados se comporta como uma lei de potência, indicando um caráter não-extensivo na dinâmica de crescimento. No Capítulo 5 analisamos o movimento molecular de cadeias poliméricas na presença de obstáculos e de gradientes de potenciais. Usamos um modelo generalizado de reptação para estudar a difusão de polímeros lineares em meios desordenados. Investigamos a evolução temporal destas cadeias em redes quadradas e medimos os tempos característicos de transporte t. Finalizamos esta dissertação com um capítulo contendo a conclusão geral denoss o trabalho (Capítulo 6), mais dois apêndices (Apêndices A e B) contendo a fenomenologia básica para alguns conceitos que utilizaremos ao longo desta tese (Fractais e Percolação respectivamente) e um terceiro e ´ultimo apêndice (Apêndice C) contendo uma descrição de um programa de computador para simular o crescimentos de polímeros ramificados em uma rede quadrada

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

Evolução de Rádio Fontes Duplas Extragalácticas

Double radio sources have been studied since the discovery of extragalactic radio sources in the decade of 1930. Since then, several numerical studies and analytical models have been proposed seeking a better understanding of the physical phenomena that determines the origin and evolution of such objects. In this thesis, we intended to study the evolution problem of the double radio sources in two fronts: in the ¯rst we have developed an analytical self-similar model that represents a generalization of most models found in the literature and solve some existent problems related to the jet head evolution. We deal with this problem using samples of hot spot sizes to ¯nd a power law relation between the jet head dimension and the source length. Using our model, we were able to draw the evolution curves of the double sources in a PD diagram for both compact sources (GPS and CSS) and extended sources of the 3CR catalogue. We have alson developed a computation tool that allows us to generate synthetic radio maps of the double sources. The objective is to determine the principal physical parameters of those objects by comparing synthetic and observed radio maps. In the second front, we used numeric simulations to study the interaction of the extra- galactic jets with the environment. We simulated situations where the jet propagates in a medium with high density contrast gas clouds capable to block the jet forward motion, forming the distorted structures observed in the morphology of real sources. We have also analyzed the situation in which the jet changes its propagation direction due to a change of the source main axis, creating the X-shaped sources. The comparison between our simulations and the real double radio sources, enable us to determine the values of the main physical parameters responsible for the distortions observed in those objects

Propriedades críticas de sistemas fora do equilíbrio via simulação Monte Carlo

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Simulação de reservatórios de petróleo em ambiente MPSoC

The constant increase of complexity in computer applications demands the development of more powerful hardware support for them. With processor's operational frequency reaching its limit, the most viable solution is the use of parallelism. Based on parallelism techniques and the progressive growth in the capacity of transistors integration in a single chip is the concept of MPSoCs (Multi-Processor System-on-Chip). MPSoCs will eventually become a cheaper and faster alternative to supercomputers and clusters, and applications developed for these high performance systems will migrate to computers equipped with MP-SoCs containing dozens to hundreds of computation cores. In particular, applications in the area of oil and natural gas exploration are also characterized by the high processing capacity required and would benefit greatly from these high performance systems. This work intends to evaluate a traditional and complex application of the oil and gas industry known as reservoir simulation, developing a solution with integrated computational systems in a single chip, with hundreds of functional unities. For this, as the STORM (MPSoC Directory-Based Platform) platform already has a shared memory model, a new distributed memory model were developed. Also a message passing library has been developed folowing MPI standard

Evolução da paisagem do baixo curso do rio de Piranhas-Assu (1988-2024): uso de autômatos celulares em modelo dinâmico espacial para simulação de cenários futuros

The lower course of Piranhas-Assu river, located in the north coast of Rio Grande do Norte, Brazil, arouses a keen interest as a study field, once it concentrates, besides petroleum and gas exploration, activities related to shrimp culture, salt and horticulture, factors that also deserve special attention. Thus, the awareness of the study field environmental stage demands studies from researchers and discernment from society, as a way of understanding the inter-relation between environment and men. Therefore, this work attempts at understanding and studying the dynamics of land use in the lower course of Piranhas-Assu river, through a multitemporal analysis of present and past, accomplishing future projections through simulation models. The work is divided in stages that include the research, analysis, interpretation of results, and the generation of simulation models, to analyze the landscape tendencies, making possible to identify indicators which cause such changes in the lower course of the river. From Geographical Database, the necessary exploratory analyses were accomplished to the following items: land use evolution, natural and environmental vulnerability, multiple geodiversity indexes, and preparation of the data to be used in the simulation model. Later, the construction of the landscape simulation model was conducted. Sequentially, simulations of future sceneries were accomplished through the execution of the model in a specific software environment. Last, the analyses of landscape tendencies in the study field were carried out. The lower course of Piranhas-Assu River didn't show any intense dynamics in landscape changing, once in the period taken into account (from 1988 to 2004) class stability proved to be superior to its transformations. Activities related to agriculture and livestock are the ones that influence, mostly, the landscape dynamics. The production of sea shrimp and petroleum also infers in the landscape, although in smaller proportion. INCRA s public policies excessively determined the dynamics of the landscape in the lower course of Piranhas-Assu River, RN. In respect to its natural vulnerability, the lower course of Piranhas-Assu River, RN, features more vulnerable than stable areas. The landscape simulation, in the first taken period (2004-2009), indicated considerable increases and decreases of antropic activities, if compared to its sequent periods (2009-2014, 2014-2019 and 2019-2024). The simulation, in a wider analysis, showed that the determining factors for the space mobility of antropic activities, in the focused area, are related to the pre-existence of communities with agricultural capability and to the existence of access routes and drainage. Considering the area that features fixed and mobile dunes, located in Porto do Mangue district, we recommend its conversion into a conservation area