Next Challenges for the Comprehensive Molecular Characterization of Complex Organic Mixtures in the Field of Sustainable Energy DOI Creative Commons
Anthony Abou-Dib, Frédéric Aubriet, Jasmine Hertzog

et al.

Molecules, Journal Year: 2022, Volume and Issue: 27(24), P. 8889 - 8889

Published: Dec. 14, 2022

The conversion of lignocellulosic biomass by pyrolysis or hydrothermal liquefaction gives access to a wide variety molecules that can be used as fuel building blocks in the chemical industry. For such purposes, it is necessary obtain their detailed composition adapt process, including upgrading steps. Petroleomics has emerged an integral approach cover missing link investigation bio-oils and linked products. It relies on ultra-high-resolution mass spectrometry attempt unravel contribution many compounds complex samples non-targeted approach. most recent developments petroleomics partially alter discriminating nature analyses. However, peak referring one formula possibly hides forest isomeric compounds, which may present large diversity concerning functions. This identification functions essential context bio-oils. latest dedicated this analytical challenge will reviewed discussed, particularly integrating ion source features incorporating new steps workflow. representativeness data obtained petroleomic still important issue.

Language: Английский

Continuum of non-targeted data for long term study of complex samples generated by direct infusion ultra-high resolution mass spectrometry DOI Creative Commons

S. Woodward,

Stefan A. Pieczonka, Jasmine Hertzog

et al.

Talanta, Journal Year: 2025, Volume and Issue: 286, P. 127514 - 127514

Published: Jan. 1, 2025

Language: Английский

Citations

1

C10–C50 Olefins in Thermal Cracking Products of Heavy Petroleum: Characterization Using Ag+ ESI High-Resolution Mass Spectrometry DOI
Yaqi Wang, Ying Zhang,

Yuanfeng Wang

et al.

Energy & Fuels, Journal Year: 2025, Volume and Issue: unknown

Published: April 2, 2025

Language: Английский

Citations

1

Fractionation and Characterization of Petroleum Asphaltene: Focus on Metalopetroleomics DOI Open Access
Fang Zheng, Quan Shi, Germain Salvato Vallverdu

et al.

Processes, Journal Year: 2020, Volume and Issue: 8(11), P. 1504 - 1504

Published: Nov. 20, 2020

Asphaltenes, as the heaviest and most polar fraction of petroleum, have been characterized by various analytical techniques. A variety fractionation methods carried out to separate asphaltenes into multiple subfractions for further investigation, some them important reference significance. The goal current review article is offer insight multitudinous techniques asphaltene analysis, following an introduction with regard morphologies metals heteroatoms in asphaltenes, well their functions on aggregation. Learned lessons suggestions possible future work conclude present article.

Language: Английский

Citations

59

Analysis of environmental organic matters by Ultrahigh‐Resolution mass spectrometry—A review on the development of analytical methods DOI

Sungjune Kim,

Donghwi Kim,

Maeng‐Joon Jung

et al.

Mass Spectrometry Reviews, Journal Year: 2021, Volume and Issue: 41(2), P. 352 - 369

Published: Jan. 24, 2021

Owing to the increasing environmental and climate changes globally, there is an interest in molecular-level understanding of organic compound mixtures, that is, pursuit complete detailed knowledge chemical compositions related reactions. Environmental molecule including those air, soil, rivers, oceans, have extremely complex heterogeneous compositions. For their analyses, ultrahigh-resolution sub-ppb level mass accuracy, achievable using Fourier-transform ion cyclotron resonance spectrometry (FT-ICR MS), are important. FT-ICR MS has been successfully used analyze mixtures such as natural, particulate, dissolved matter. Despite its success, many limitations still need be overcome. Sample preparation, ionization, structural identification, chromatographic separation, data interpretation some key areas focus numerous studies. This review describes developments analytical techniques these aid researchers seeking start or continue investigations for mixtures.

Language: Английский

Citations

50

Characterization of naphthenic acids in crude oil samples – A literature review DOI
Eliane V. Barros, Paulo R. Filgueiras, Valdemar Lacerda

et al.

Fuel, Journal Year: 2022, Volume and Issue: 319, P. 123775 - 123775

Published: March 8, 2022

Language: Английский

Citations

33

Characterization of chemical composition of high viscosity heavy oils: Macroscopic properties, and semi-quantitative analysis of molecular composition using high-resolution mass spectrometry DOI Creative Commons
Jianxun Wu, Shuofan Li, Qifu Li

et al.

Petroleum Science, Journal Year: 2024, Volume and Issue: 21(5), P. 3612 - 3620

Published: March 4, 2024

Heavy oil is an important resource in current petroleum exploitation, and the chemical composition information of heavy crucial for revealing its viscosity-inducing mechanism solving practical exploitation issues. In this study, techniques high-temperature gas chromatography high-resolution mass spectrometry equipped with electrospray ionization source were applied to reveal typical oils from western, central, eastern China. The results indicate that these display significant variations their bulk properties, initial boiling points all above 200 °C. Utilizing pre-treatment ESI spectrometry, analysis molecular saturated hydrocarbons, aromatic acidic oxygen compounds, sulfur basic nitrogen neutral compounds within was conducted. Ultimately, a semi-quantitative achieved by integrating elemental content. Shengli-J8 conventional Shengli crude show lacks alkanes low weight which contributes high viscosity. Additionally, characteristic sets different identified based on composition. may provide valuable reference data establishing theoretical models designing viscosity-reducing agents exploitation.

Language: Английский

Citations

7

Investigation of Island/Single-Core- and Archipelago/Multicore-Enriched Asphaltenes and Their Solubility Fractions by Thermal Analysis Coupled with High-Resolution Fourier Transform Ion Cyclotron Resonance Mass Spectrometry DOI
Anika Neumann, Martha L. Chacón-Patiño, Ryan P. Rodgers

et al.

Energy & Fuels, Journal Year: 2020, Volume and Issue: 35(5), P. 3808 - 3824

Published: Dec. 29, 2020

Despite extensive research, the molecular-level chemical characterization of asphaltenes, a highly aromatic solubility fraction petroleum, remains an analytical challenge. This is related to diverse problems in crude oil exploration, transportation, and refining. Two asphaltene architecture motifs are commonly discussed literature, "island" (single-core)- "archipelago" (multicore)-type structures. The thermal desorption pyrolysis behavior island- archipelago-enriched asphaltenes their extrography fractions was investigated. For this purpose, evolved pattern investigated by analysis coupled with ultrahigh-resolution mass spectrometry (Fourier transform ion cyclotron resonance (FT-ICR MS)). Soft atmospheric pressure ionization preserved molecular information emission profile. Time-/temperature-resolved allowed occluded material as well building blocks during pyrolysis. Regarding thermogravimetric information, island-type enriched sample (Wyoming asphaltenes) revealed significantly higher coke residue after process compared archipelago-type (Athabasca asphaltenes). In contrast whole extrographic that phase. acetone fraction, effect most abundant suggests cooperative aggregation, which persists at high temperatures. Pyrolysis bimodal for compound classes, suggesting presence both each asphaltene. double-bond equivalent (DBE) vs #C diagrams profile specific compositional trends: compounds DBE values short alkylation likely be originated from whereas species low carbon numbers derive asphaltenes. structural debate, serves additional technique supplements results obtained other techniques, such direct infusion approaches. Consistent on indicated fingerprint visualized serve measure dominance motif.

Language: Английский

Citations

40

Unlocking the potential of biofuels via reaction pathways in van Krevelen diagrams DOI Creative Commons
Diana Catalina Palacio Lozano, Hugh E. Jones, Tomás Ramı́rez Reina

et al.

Green Chemistry, Journal Year: 2021, Volume and Issue: 23(22), P. 8949 - 8963

Published: Jan. 1, 2021

Graphical representation of bio-oil compositions in van Krevelen diagrams reveals reaction pathways to infer upgrading routes that can improve the economic potential biofuels.

Language: Английский

Citations

40

Analysis and control of products obtained from pyrolysis of polypropylene using a reflux semi-batch reactor and GC-MS/FID and FT-ICR MS DOI Creative Commons
Nabil Hassibi,

Yann Quiring,

Vincent Carré

et al.

Journal of Analytical and Applied Pyrolysis, Journal Year: 2022, Volume and Issue: 169, P. 105826 - 105826

Published: Dec. 14, 2022

Language: Английский

Citations

24

Petroleomics Approach to Investigate the Composition of Upgrading Products from Pyrolysis Bio-Oils as Determined by High-Field FT-ICR MS DOI
Martha L. Chacón-Patiño, Charlotte Mase, Julien Maillard

et al.

Energy & Fuels, Journal Year: 2023, Volume and Issue: 37(21), P. 16612 - 16628

Published: Oct. 11, 2023

One of the few similarities between petroleum and bio-oils derived from biomass pyrolysis is that they are both complex organic mixtures composed thousands distinct elemental compositions, but oils uniquely contain ultrahigh oxygen content a more diverse collection chemical functionalities. Thus, their chemistry different fossil fuels, advanced upgrading strategies for coprocessing such unique materials along with conventional refinery feeds will benefit comprehensive knowledge molecular composition, known as petroleomics. The work presented herein focuses on characterization nonvolatile species loblolly pine bio-oil its hydrotreated effluents by soft ionization methods coupled to high-field Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS). Electrospray (ESI) facilitates analysis polar oxygen-containing molecules, whereas atmospheric pressure (APCI) enables access hydrocarbons. data revealed time-dependent compositional changes, visualized in van Krevelen diagrams, highlighted optimal catalyst performance impacts fouling or deactivation. Furthermore, elucidation features abundance-weighted H/C, O/C, weight, aromaticity facilitated interpretation suggested value-added likely produced upon concurrent decrease content, aromaticity, weight marked increase H/C. temporal changes specific hydrotreatment reaction pathways, including deoxygenation hydrogenation, transalkylation, cracking highly aromatic lignin-like oligomers. detailed provided FT-ICR MS common formulas (those detected before after upgrading). Common hypothetically recalcitrant compounds, which feature nature (low H/C) alkyl deficiency. Understanding remaining species, critical future advances upgrading.

Language: Английский

Citations

15