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Title: Caracterização de Compostos Polares no Petróleo por Espectrometria de Massas de Altíssima Resolução e Exatidão ESI(±)-FT-ICR MS
Authors: Dalmaschio, Guilherme Pires
Keywords: Petróleo;Destilação;Polares;Acidez;ESI-FT-ICR MS;Petroleum;Distillation;Polar;Acidity;ESI-FT-ICR MS
Issue Date: 9-Mar-2012
Publisher: Universidade Federal do Espírito Santo
Citation: DALMASCHIO, Guilherme Pires. Caracterização de Compostos Polares no Petróleo por Espectrometria de Massas de Altíssima Resolução e Exatidão ESI(±)-FT-ICR MS. 2012. 87 f. Dissertação (Mestrado em Mestrado em Química) - Universidade Federal do Espírito Santo, Vitória, 2012.
Abstract: Petroleum is considered the world s most complex natural mixture and its myriad of constituents offers one of the most challenging samples for chemical analysis. Although many techniques may be used for the oil constituents characterization, the very high resolving power and accuracy of mass spectrometry, in particular the Fourier transforms ion cyclotron resonance mass spectrometry (FT-ICR MS), has provided an accurate assignment of more than 20 000 different elemental compositions of organic compounds containing heteroatoms from crude oil. In petroleum industry, there is a great interest in naphthenic acids analysis due to its corrosion mechanism that is still a question mark in the material science agenda. Naphthenic acids are groups of saturated monocyclic, polycyclic and acyclic carboxylic acids and the phenomena of corrosion occur mainly via the chemical reaction with the iron affecting directly the production and the petroleum refining processes. Aiming to study the polar composition of oil cuts through distillation processes, three different oils were distilled in which obtained to the oils A and B, 12 and 7 cuts, respectively, while the oil C was analyzed only the residue from the vacuum distillation. Measures of ESI(±)-FT-ICR MS were performed to the samples obtained from distillation process and the results were compared with the values of acidity from total acid number (TAN) analysis. Additionally, the ESI ionization was optimized for sulfur-containing compounds (S1 class) by methylation reactions in cuts and vacuum residue of petroleum. These samples were analyzed via ESI(+)-FT-ICR MS. The results from ESI(-)-FT-ICR MS analysis showed the O2 class (naphthenic acids) as the majority class in the cuts. Moreover, the increase in acidity with the boiling temperature of the cuts is proportional to the increase in homologous series, DBE value and carbon number distribution of the identified species, which suggests that cuts with higher boiling points have more complex molecules in higher concentrations. The results obtained by ESI(+)-FT-ICR MS identified the N1 class as the most abundant in the distillate cuts. The sulfur-containing species and others organic compounds, which has a system of conjugated double bonds, as aromatics hydrocarbon and furans, were only detected when methylation reactions were performed.
Appears in Collections:PPGQUI - Dissertações de mestrado

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