Estudo teórico aplicado ao petróleo: estabilidade dos alcenos e recuperação terciária
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 thermodynami...
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| Formato: | Dissertação |
| Idioma: | por |
| Publicado em: |
Universidade Federal do Rio Grande do Norte
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| Endereço do item: | https://repositorio.ufrn.br/jspui/handle/123456789/17698 |
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| Resumo: | 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 |
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