Chemical Characterization and Interfacial Activity of Molecules Isolated from Brazilian Oils by Adsorption onto Wet Silica Particles

Silva, Jarlene da C.; Pinto, Fernanda E.; Souza, Lindamara M.; Romão, Wanderson; Loh, Watson; Lucas, Elizabete F.

doi:10.1021/acs.energyfuels.0c01781

Cited by 7 publications

(35 citation statements)

References 47 publications

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“…The FT-ICR MS analyses were performed by a SolariX 9.4T FT-ICR mass spectrometer − (Bruker, Bremen, Germany) equipped with an ICR cell as the infinity cell.…”

Section: Methodsmentioning

confidence: 99%

“…The maximum acceptable accuracy was 3 ppm. The Composer and Compass Data Analysis presents information about the heteroatom classes present in the samples, DBE information, and charts relating carbon number and DBE values. − The DBE is calculated from eq . − where C represents the number of carbons, H the number of hydrogens, N the number of nitrogens in the molecular formula.…”

Section: Methodsmentioning

confidence: 99%

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Study of Thermal Aging of Model Compounds Present in Asphalt Cement by GC/MS, ESI-MS, NMR, and FTIR

et al. 2021

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The study of petroleum asphalt cement (AC) aging is essential for the production of good quality pavements with high durability. Because of the complexity of this material, one of the biggest challenges is understanding the chemical variations that occur in the molecules present in the AC during the aging processes. This work proposes to study 15 standards of model compounds present in the AC composition, representing the fractions of saturated compounds (5-α-cholestane and hexatriacontane), aromatics (hexamethylbenzene, coronene, and benzo-[a]anthracene), nitrogenous compounds (acridine, carbazole, indole, and N,N′-Bis(3-pentyl)perylene-3,4,9,10-bis-(dicarboximide)), sulfur compounds (2-naphthalenethiol, 4,6diethyldibenzothiophene, and naphtho[1,2-b:6,5-b′]dithiophene(NDT)), and naphthenic acids (stearic (SA), pentadecanoic (PA), and sinapinic acids (ASN)), which were thermally aged by two methods: (i) they were subjected to a constant temperature of 80 °C, varying the time of analysis over 5, 10, 15, 30, and 60 days; and (ii) temperatures ranging from 80, 100, 120, to 140 °C for 15 days. The analyses of these compounds were performed by GC/MS, 1 H and 13 C NMR, ESI(−)MS (FT-ICR and LTQ), and FTIR. The results obtained showed that at 80 °C, from 15 days, only the indole standard compound showed the presence of thermal products, i.e., compounds detected from thermal aging of the standard model compounds. When the degradation temperature was increased from 100 to 140 °C, we observed the formation of thermal products at 100 °C in 6 out of 15 model compounds. However, at 140 °C, 12 of the 15 model compounds presented some type of degradation. Reactions of oxidation, polymerization, thermal aging, volatilization, and formation of double bonds were observed.

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“…The FT-ICR MS analyses were performed by a SolariX 9.4T FT-ICR mass spectrometer − (Bruker, Bremen, Germany) equipped with an ICR cell as the infinity cell.…”

Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

Study of Thermal Aging of Model Compounds Present in Asphalt Cement by GC/MS, ESI-MS, NMR, and FTIR

et al. 2021

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“…An emulsion stability coefficient was proposed based on the relative abundances of some families of compounds detected by (−)ESI FT-ICR MS to explain the tendency to form emulsions of the crude oil. Silva et al 239 fractionated interfacially active molecules from a Brazilian crude oil. The influence of the solvent system on the composition of the interfacially active molecules fractions was investigated.…”

Section: Characterization For Crude Oil and Its Fractionsmentioning

confidence: 99%

Molecular Characterization of Fossil and Alternative Fuels Using Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry: Recent Advances and Perspectives

et al. 2021

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Molecular composition analysis of petroleum and alternative fuels has been considered as one of the greatest challenges in analytical chemistry. The rapid development of Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) has provided an opportunity to solve this problem. High mass resolution power and mass accuracy enable the separation of isobaric compounds in a complex mixture and assignment of their molecular composition. The combination of electrospray ionization (ESI) with FT-ICR MS achieves direct analysis of polar compounds in petroleum even if they are in trace amounts in the complex matrix. FT-ICR MS has made a great contribution to the chemical understanding of petroleum and alternative fuels; the relevant application is sometimes called “petroleomic analysis”. Hundreds of journal articles have been published over the past two decades using FT-ICR MS instruments to study the molecular composition of petroleum and alternative fuels, in which most of them used ESI as the ionization source. This review will present an overview of the studies regarding the petroleomic characterization of fossil and alternative fuels by FT-ICR MS coupled with ESI and a critical review of their main findings relevant to the chemical composition. Special features of this review are (1) covering the entire historical period; (2) focusing on ESI ionization; (3) a systematic review of the composition of almost all the components and compound classes, including but not limited to petroleum, coal-derived liquids, biofuels, and their distillates; asphaltenes, heavy residues, interfacial active substances; hydrocarbons and heteroatoms; and polar and nonpolar compounds. In addition, the challenges and further research directions will be proposed. This review focuses on the advances enabled by ultrahigh resolving power FT-ICR MS in a tribute to Professor Alan G. Marshall.

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“…Vanadium compounds; 296 Non-polar aromatic compounds; 297 thiols; [298][299][300] Sulfides; 301,302 N-, S-, and O-containing species; 129,198,205,207,212,214,221,224,236,244, Porphyrins; [348][349][350][351][352] Molecular structure of Asphaltenes; 185,216,353,354 naphthenic acids; 284,285,[355][356][357][358][359][360] petroleum sulfonates; [361][362][363][364] acidic compounds; 213,215,216,323,362,[365][366][367][368][369][370][371]…”

Section: Esi (Electrospray Ionization)mentioning

confidence: 99%

Analytics Driving Kinetics: Advanced Mass Spectrometric Characterization of Petroleum Products

et al. 2021

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The current state-of-the-art in analysis techniques for petroleum fractions has progressed substantially during the last decade. This has helped to further improve the lumping procedures and modeling approaches of these complex systems. Recent advances in gas chromatography (GC), GC-field ionization mass spectrometry (GC-FIMS), and comprehensive gas chromatography (GC × GC) have made it possible to determine the compositions of fractions with up to 45 carbon atoms and in some cases up to C80. The combination of MS techniques with other selective detectors and reversed-phase column combinations has made it possible to quantify even traces of heteroatomic compounds in these complex hydrocarbon matrices. Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS), in some cases combined with GC × GC for the lighter part, has pushed the characterization of larger macromolecules in particular asphaltenes. Matrix-assisted laser desorption/ionization (MALDI) is also used widely for this purpose but has the disadvantage that quantification is not obvious. The development of more detailed characterization techniques has not remained unnoticed in the petrochemical society, and more recently in the petrochemical kinetic modeling society. More detailed characterization of petrochemical fractions has made the implementation of detailed kinetic models for simulation and optimization possible including more and more molecular detail. Additionally, advances in photo-ionization mass spectrometry (PI-MS) have allowed the detection of reactive intermediates and direct kinetic measurements in time-resolved experiments. It can only be expected that this trend will continue and that the application field will move from now primarily petrochemistry, (from catalytic cracking, over hydrotreating and hydrocracking, to pyrolysis, combustion, and steam cracking) to larger-scale chemical recycling and biomass conversion processes.

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Chemical Characterization and Interfacial Activity of Molecules Isolated from Brazilian Oils by Adsorption onto Wet Silica Particles

Cited by 7 publications

References 47 publications

Study of Thermal Aging of Model Compounds Present in Asphalt Cement by GC/MS, ESI-MS, NMR, and FTIR

Study of Thermal Aging of Model Compounds Present in Asphalt Cement by GC/MS, ESI-MS, NMR, and FTIR

Molecular Characterization of Fossil and Alternative Fuels Using Electrospray Ionization Fourier Transform Ion Cyclotron Resonance Mass Spectrometry: Recent Advances and Perspectives

Analytics Driving Kinetics: Advanced Mass Spectrometric Characterization of Petroleum Products

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