Made available in DSpace on 2014-12-17T15:42:05Z (GMT). No. of bitstreams: 1 GuttoRSF_DISSERT.pdf: 5697314 bytes, checksum: 6d49e92c8978493580da74eee2885a8f (MD5) Previous issue date: 2013-02-22 / The present work aims to study the theoretical level of some processes employed in the refining of petroleum fractions and tertiary recovery of this fluid. In the third chapter, we investigate a method of hydrogenation of oil fractions by QTAIM (Quantum Theory of Atoms in Molecules) and thermodynamic parameters. The study of hydrogenation reactions, and the stability of the products formed, is directly related to product improvement in the petrochemical refining. In the fourth chapter, we study the theoretical level of intermolecular interactions that occur in the process of tertiary oil recovery, or competitive interactions involving molecules of non-ionic surfactants, oil and quartz rock where oil is accumulated. Calculations were developed using the semiempirical PM3 method (Parametric Model 3). We studied a set of ten non-ionic surfactants, natural and synthetic origin. The study of rock-surfactant interactions was performed on the surface of the quartz (001) completely hydroxylated. Results were obtained energetic and geometric orientations of various surfactants on quartz. QTAIM was obtained through the analysis of the electron density of interactions, and thus, providing details about the formation of hydrogen bonds and hydrogen-hydrogen systems studied. The results show that the adsorption of ethoxylated surfactants in the rock surface occurs through the hydrogen bonding of the type CH---O, and surfactants derivatives of polyols occurs by OH---O bonds. For structures adsorption studied, the large distance of the surfactant to the surface together with the low values of charge density, indicate that there is a very low interaction, characterizing physical adsorption in all surfactants studied. We demonstrated that surfactants with polar group comprising oxyethylene units, showed the lowest adsorption onto the surface of quartz, unlike the derivatives of polyols / O presente trabalho tem como objetivo o estudo a n?vel te?rico de alguns processos empregados no refino das fra??es do petr?leo e na recupera??o terci?ria deste fluido. No terceiro capitulo, investigamos um m?todo de hidrogena??o das fra??es de petr?leo atrav?s da QTAIM (Quantum Theory of Atoms in Molecules) e par?metros termodin?micos. O estudo das rea??es de hidrogena??o, bem como a estabilidade dos produtos formados, est? diretamente relacionada ? melhoria dos produtos de refino na ind?stria petroqu?mica. No quarto cap?tulo, realizamos o estudo a n?vel te?rico das intera??es intermoleculares que ocorrem no processo de recupera??o terci?ria de petr?leo, ou seja, as intera??es competitivas envolvendo mol?culas de tensoativos n?oi?nicos, o petr?leo e o quartzo da rocha onde o petr?leo est? acumulado. Os c?lculos foram desenvolvidos utilizando o m?todo semi-emp?rico PM3 (Parametric Model 3). Estudamos um conjunto de dez tensoativos n?o-ionicos, de origem natural e sint?ticos. O estudo das intera??es rocha-tensoativo foi realizado sobre a superf?cie do quartzo (001) completamente hidroxilada. Foram obtidos resultados energ?ticos e geom?tricos de v?rias orienta??es dos tensoativos sobre o quartzo. Atrav?s da QTAIM foi obtida a an?lise da densidade eletr?nica das intera??es, e assim, fornecendo detalhes sobre a forma??o de liga??es de hidrog?nio e hidrog?nio-hidrog?nio, nos sistemas estudados. Os resultados obtidos mostram que a adsor??o de tensoativos etoxilados na superf?cie da rocha ocorre atrav?s de liga??o de hidrog?nio do tipo C-H---O, e tensoativos derivados de poli?is ocorre por liga??es O-H---O. Para as estruturas de adsor??o estudadas, a grande dist?ncia do tensoativo para a superf?cie aliada com os baixos valores de densidade de carga, indicam que h? uma intera??o muito fraca, caracterizando uma adsor??o f?sica em todos os tensoativos estudados. Evidenciamos que tensoativos com o grupo polar constitu?do por unidades oxietileno, apresentaram a menor adsor??o sobre a superf?cie do quartzo, ao contr?rio dos derivados de poli?is

Much effort of reservoir engineers is devoted to the time-consuming process of history matching in a simulator to understand the reservoir complexity. Its accuracy is debatable because only a few inputs are known. Several analytical tools have been developed to investigate reservoir heterogeneity. The reciprocal productivity index (RPI) is a tool to measure the pressure support observed at a producer. The log (water-oil ratio or WOR) plot can be used to indicate the presence of a channel. A capacitance-resistance model (CRM) is a simple tool to estimate the connectivity between a producer-injector pair from the production/injection and pressure data. Generally field operators implement an improved recovery plan such as water-alternating-gas (WAG) flood to improve displacement efficiency. However, the existence of heterogeneity compromises its performance. The first objective of this study is to improve the assessment of tertiary flood performance by integrating the CRM with other analytical tools. The integrated method was applied to a miscible flood field in West Texas. The results suggest strong interwell connectivity found more frequently in the NE-SW direction and the different preferential flow paths of injected CO2 and water. Overall, the results provide insights into the current flood status. The operating conditions of a producer dynamically change because of well/field constraints. These changes can induce significant interference in other wells, which cannot be captured by CRM. The second objective of this study is to develop a capacitance-resistance model with producer-producer interaction (CRMP-P). The CRMP-P, derived from the continuity and Darcy’s equations, accounts for producer-producer interactions. The CRMP-P was applied to data from three different reservoir models. The results suggest that the CRMP-P could fit the data with higher precision than CRM. Consequently, the CRMP-P estimates of reservoir properties are more accurate. Moreover, the estimated transmissibility between producers is in agreement with the reservoir models. The CRMP-P was also applied to Omani field data. The transmissibility results are consistent with previous study and the drilling information. The more accurate information on producer-producer interactions and reservoir properties can assist in history-matching, locating infill wells, and reservoir management planning. / text