Compositional analysis of deasphalted oil before and after hydrocracking over zeolite catalyst by Fourier transform ion cyclotron resonance mass spectrometry

Miyabayashi, Keiko; Naito, Yasuhide; Yamada, Mami; Miyake, Mikio; Ushio, Masaru; Fuchigami, Jun; Kuroda, Ryuzo; Ida, Takashi; Hayashida, Kumi; Ishihara, Hisaya

doi:10.1016/j.fuproc.2007.11.009

Cited by 17 publications

(8 citation statements)

References 17 publications

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“…Interestingly, the O 2 class (presumably carboxylic acids) are not aromatic because their DBE values are typically 4 or less (and the simplest aromatic carboxylic acid would have DBE ϭ 5). Plots of DBE vs. carbon number have proved especially useful in characterizing hydrotreatment in petroleum processing (22)(23)(24), vacuum gas oil distillation cuts (25), water-soluble acids and bases (26), saturates vs. aromatics (27), heat exchanger deposits (28), oil:water emulsion interfacial material (29-31), (lack of) matrix effects in saturates/aromatics/ resins/asphaltenes (SARA) (32) fractionation (33), naphthenic acids (1, 34, 35), sulfur-containing polycyclic aromatics (27,(36)(37)(38), distillates (39,40), and other applications discussed in this article.…”

Section: Compositional Sorting: Graphical Images Derived From Heteroatommentioning

confidence: 99%

Petroleomics: Chemistry of the underworld

Marshall

Rodgers

2008

Proc. Natl. Acad. Sci. U.S.A.

620

565

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Each different molecular elemental composition-e.g., CcHhNnOoSshas a different exact mass. With sufficiently high mass resolving power (m/⌬m 50% Ϸ 400,000, in which m is molecular mass and ⌬m50% is the mass spectral peak width at half-maximum peak height) and mass accuracy (<300 ppb) up to Ϸ800 Da, now routinely available from high-field (>9.4 T) Fourier transform ion cyclotron resonance mass spectrometry, it is possible to resolve and identify uniquely and simultaneously each of the thousands of elemental compositions from the most complex natural organic mixtures, including petroleum crude oil. It is thus possible to separate and sort petroleum components according to their heteroatom class (N nOoSs), double bond equivalents (DBE ‫؍‬ number of rings plus double bonds involving carbon, because each ring or double bond results in a loss of two hydrogen atoms), and carbon number. ''Petroleomics'' is the characterization of petroleum at the molecular level. From sufficiently complete characterization of the organic composition of petroleum and its products, it should be possible to correlate (and ultimately predict) their properties and behavior. Examples include molecular mass distribution, distillation profile, characterization of specific fractions without prior extraction or wet chemical separation from the original bulk material, biodegradation, maturity, water solubility (and oil:water emulsion behavior), deposits in oil wells and refineries, efficiency and specificity of catalytic hydroprocessing, ''heavy ends'' (asphaltenes) analysis, corrosion, etc.Fourier transform ͉ ion cyclotron resonance ͉ mass spectrometry ͉ petroleum ͉ fossil fuel

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Section: Compositional Sorting: Graphical Images Derived From Heteroatommentioning

confidence: 99%

Petroleomics: Chemistry of the underworld

Marshall

Rodgers

2008

Proc. Natl. Acad. Sci. U.S.A.

620

565

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“…Lozano et al [30] analyzed Colombian crude oils and vacuum residuals using APPI ionization methods. FT-ICR mass spectrometry has been used to analyze a number of other samples like base oils [31], HFO [32], fuel oil derived DAO [33], vacuum residue derived DAO [34], vacuum residues [35], furnace oil [36], coal liquefaction products [37], lubricants [38], biomass [39,40] besides crude oils [25,26,[41][42][43] and asphaltenes [12,[44][45][46]. High resolution 1 H and 13 C NMR spectroscopy can also reveal rich qualitative and quantitative information about the molecular distribution of heavy fuels [47].…”

Section: Introductionmentioning

confidence: 99%

Characterization of deasphalted heavy fuel oil using APPI (+) FT-ICR mass spectrometry and NMR spectroscopy

Jameel

Khateeb

Elbaz

et al. 2019

Fuel

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“…Liu et al () oxidized sulfides in petroleum and identified them using (+)‐ESI FT‐ICR MS (Liu et al, ). ESI is one of the major ionization techniques used to study crude oils and there have been a number of publications using this technique for oil analyses (Zhan & Fenn, ; Hughey et al, ; Qian et al, 2001a,b; Hughey, Rodgers, & Marshall, ; Barrow et al, 2003, 2009; Hemmingsen et al, ; Klein et al, ; Mullins et al, ; Stanford et al, 2006, 2007a,b; Teräväinen et al, ; Headley et al, ; Panda et al, ; Schaub et al, ; Mapolelo et al, ; Miyabayashi et al, ; Smith et al, 2008a,b; Da Campo et al, ; Juyal et al, 2009, 2010; Shi et al, 2009, 2010a,b; Liu et al, ; Zhang et al, 2010, 2011; Zhu et al, ; Li et al, ; Chen et al, ; Gaspar et al, ; Jin, Kim, & Birdwell, ).…”

Section: Study Of Ionization Methodsmentioning

confidence: 99%

Developments in FT‐ICR MS instrumentation, ionization techniques, and data interpretation methods for petroleomics

Cho

Ahmed

Islam

et al. 2014

Mass Spectrometry Reviews

196

164

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Because of the increasing importance of heavy and unconventional crude oil as an energy source, there is a growing need for petroleomics: the pursuit of more complete and detailed knowledge of the chemical compositions of crude oil. Crude oil has an extremely complex nature; hence, techniques with ultra-high resolving capabilities, such as Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS), are necessary. FT-ICR MS has been successfully applied to the study of heavy and unconventional crude oils such as bitumen and shale oil. However, the analysis of crude oil with FT-ICR MS is not trivial, and it has pushed analysis to the limits of instrumental and methodological capabilities. For example, high-resolution mass spectra of crude oils may contain over 100,000 peaks that require interpretation. To visualize large data sets more effectively, data processing methods such as Kendrick mass defect analysis and statistical analyses have been developed. The successful application of FT-ICR MS to the study of crude oil has been critically dependent on key developments in FT-ICR MS instrumentation and data processing methods. This review offers an introduction to the basic principles, FT-ICR MS instrumentation development, ionization techniques, and data interpretation methods for petroleomics and is intended for readers having no prior experience in this field of study.

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Compositional analysis of deasphalted oil before and after hydrocracking over zeolite catalyst by Fourier transform ion cyclotron resonance mass spectrometry

Cited by 17 publications

References 17 publications

Petroleomics: Chemistry of the underworld

Petroleomics: Chemistry of the underworld

Characterization of deasphalted heavy fuel oil using APPI (+) FT-ICR mass spectrometry and NMR spectroscopy

Developments in FT‐ICR MS instrumentation, ionization techniques, and data interpretation methods for petroleomics

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