Prospect of Petroleomics as a Tool for Changing Refining Technologies

Katano, Keita; Takahashi, Yōko; Sato, Kōichi; Tsuji, Koji; Hayasaka, Toshiaki; Nakamura, Tsutomu; Toyooka, Yoshiyuki; Inamura, Kentaro

doi:10.1627/jpi.63.133

Cited by 7 publications

(5 citation statements)

References 13 publications

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“…Molecular engineering is an important development direction of chemical engineering, and the molecular management is the practice of molecular engineering in the fields of petroleum refining and petrochemical engineering. 331 The remaining space of optimization for the petrochemical processes is very small since it has been a mature industry. However, due to its huge amount of production, there is still a very large potential profit to make for petrochemical industry.…”

Section: Challenges and Future Researchmentioning

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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Section: Challenges and Future Researchmentioning

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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“…Moreover, the conventional analysis of high-resolution MS data of petroleum primarily relies on the structural characteristics of the molecules present in the crude oil, including the heteroatom type of compounds, the value of equivalent double bond number (DBE), and the distribution of carbon number . Consequently, the corresponding relationship between DBE and carbon number in different heteroatom types is established . However, the conventional methods for processing petroleum data are insufficient in distinguishing the differences between crude oil samples and determining their sources, particularly when dealing with high-throughput data generated by high-resolution MS.…”

Section: Introductionmentioning

confidence: 99%

“…15 Consequently, the corresponding relationship between DBE and carbon number in different heteroatom types is established. 16 However, the conventional methods for processing petroleum data are insufficient in distinguishing the differences between crude oil samples and determining their sources, particularly when dealing with high-throughput data generated by high-resolution MS. Hence, there is a pressing need to develop advanced analytical techniques that can provide more precise and comprehensive insights into the complex composition of petroleum.…”

Section: Introductionmentioning

confidence: 99%

Characterization of Differential Markers among Crude Oil Samples Using UPLC-QE-MS/MS and Multivariate Statistical Analysis

Wang

Zuo

Gao³

et al. 2023

Energy Fuels

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In this study, we utilized ultra-high-performance liquid chromatography–Q Exactive plus Orbitrap mass spectrometry (to analyze the compounds in crude oil samples from two different reservoirs and proposed a novel analytical approach. The new method encompasses three-dimensional visualization of mass spectrometry (MS) data, various multivariate statistical analyses, and a combination of multivariate statistical and conventional analytical methods. The results revealed that the differential markers of the two groups of crude oil samples were primarily concentrated in N1, N1O1, and N1O1S1 compounds, with four-ring alkaline nitrogen-containing compounds such as benzacridines and highly condensed alkaline nitrogen-containing compounds serving as the best differential markers for distinguishing the two groups of crude oil samples. Furthermore, we discussed the application value of this method in petroleum-contaminated groundwater. This method demonstrates the potential and application value of multivariate statistical methods in the analysis of high-resolution MS data of crude oil.

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“…For example, the distribution of aromatic ring numbers in desulfurized residue oil, the feedstock for RFCC, has been clarified. 18 Furthermore, experiments with model compounds revealed that interactions between specific components play a crucial role in the RFCC process. Conventionally, polycyclic aromatic hydrocarbons (PAHs) in heavy oil feedstock have been considered to be stable in catalytic cracking reactions.…”

Section: Introductionmentioning

confidence: 99%

“…On the other hand, recent advances in petroleomics technology, especially analytical technology using a Fourier transform ion cyclotron resonance mass spectrometer, have enabled detailed composition analysis of heavy oil. For example, the distribution of aromatic ring numbers in desulfurized residue oil, the feedstock for RFCC, has been clarified . Furthermore, experiments with model compounds revealed that interactions between specific components play a crucial role in the RFCC process.…”

Section: Introductionmentioning

confidence: 99%

Interpretable Machine Learning with Physics-Based Feature Engineering: Application to the Catalytic Cracking Reaction of Polycyclic Aromatic Hydrocarbons

Shimada,

Osada,

Fukunaga

et al. 2023

Ind. Eng. Chem. Res.

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Prospect of Petroleomics as a Tool for Changing Refining Technologies

Cited by 7 publications

References 13 publications

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

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

Characterization of Differential Markers among Crude Oil Samples Using UPLC-QE-MS/MS and Multivariate Statistical Analysis

Interpretable Machine Learning with Physics-Based Feature Engineering: Application to the Catalytic Cracking Reaction of Polycyclic Aromatic Hydrocarbons

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