New approaches in petroleomics by FT-MS employed in crude oils with different physicochemical characteristics

Author(s)

Jandyson Machado Santos

• Document type: Doctoral Thesis
• Press: Campinas, SP.
• Institution: Universidade Estadual de Campinas (UNICAMP). Instituto de Química
• Defense date: 2017-02-21

Examining board members

Marcos Nogueira Eberlin; Luiz Alberto Beraldo de Moraes; Wagner Leonel Bastos; Carla Beatriz Grespan Bottoli; Isabel Cristina Sales Fontes Jardim

• Advisor: Marcos Nogueira Eberlin; Alberto Wisniewski Junior

Abstract

The study of crude oils with intrinsic physicochemical characteristics, such as high acidity, severe emulsification process, high density, low API gravity, and high amount of gas and water production, has presented the greatest challenges when one aims to understand at the molecular level this complex mixture using analytical techniques. It has not been different for the field called petroleomics, which has used techniques with ultra-high resolution and mass accuracy in mass spectrometry for the study of crude oils and their derivatives. In the first chapter of this thesis, it is describes the study of crude oils with different physicochemical characteristics in the scope of petroleomics from new strategies employing APPI FT-ICR MS technique which was optimized by experimental design. We also have performed a study of a contaminated crude oil using the IM-MS technique, being possible to resolve, separate and identify their contaminants and additives. In the second chapter, the study of crude oils with different API gravities and their SARA fractions was done using FT-ICR MS technique in combination with multiple ionization techniques, with emphasis on the comprehensive characterization of resin and asphaltene fractions. In addition, an adaptation in the SARA fractionation was applied, and correlations between the data obtained at the molecular level via FT-ICR MS and the API gravities of different crude oils and their respective SARA fractions were investigated. The results showed that it is possible to correlate the data at the molecular level and the API gravities regardless of whether the analysis is performed on individual crude oil or their resin and asphaltenes fractions, and also, regardless of the employed ionization technique. The SARA fractionation and FT-ICR MS analysis using different ionization techniques allowed the characterization of the individual fractions, providing a reduction of the sample complexity and a more complete and selective chemical characterization of the components present in crude oils (AU)

• FAPESP's process: 13/19161-4 - Petroleomics by FT-MS: New Strategies for Characterization by Pre-fractionation of contaminated and emulsified oils
• Grantee: Jandyson Machado Santos
• Support Opportunities: Scholarships in Brazil - Doctorate